#-----------------------------------------------
#---------------COMPOUND 7---------------------
#-----------------------------------------------
data_7
_audit_creation_date 2019-07-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number '2018/3'
_audit_contact_author_address ?
_audit_contact_author_email ?
_audit_contact_author_name ''
_audit_contact_author_phone ?
_publ_contact_author_id_orcid ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
(2009), J. Appl. Cryst. 42, 339-341.
Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common ?
_chemical_name_systematic ?
_chemical_formula_moiety 'C25 H48 P2 Rh, C32 H12 B F24'
_chemical_formula_sum 'C57 H60 B F24 P2 Rh'
_chemical_formula_weight 1376.71
_chemical_absolute_configuration unk
_chemical_melting_point ?
_chemical_oxdiff_formula 'C54 H66 Rh1 B1 P2 F24'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'B' 'B' 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'P' 'P' 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Rh' 'Rh' 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system 'monoclinic'
_space_group_IT_number 5
_space_group_name_H-M_alt 'C 1 2 1'
_space_group_name_Hall 'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
_cell_length_a 18.1357(3)
_cell_length_b 18.1424(4)
_cell_length_c 17.9779(4)
_cell_angle_alpha 90
_cell_angle_beta 90.1029(15)
_cell_angle_gamma 90
_cell_volume 5915.2(2)
_cell_formula_units_Z 4
_cell_measurement_reflns_used 30877
_cell_measurement_temperature 150.01(12)
_cell_measurement_theta_max 76.1780
_cell_measurement_theta_min 4.1910
_shelx_estimated_absorpt_T_max 0.654
_shelx_estimated_absorpt_T_min 0.576
_exptl_absorpt_coefficient_mu 3.869
_exptl_absorpt_correction_T_max 1.00000
_exptl_absorpt_correction_T_min 0.41583
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.31c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details ?
_exptl_crystal_colour orange
_exptl_crystal_colour_primary orange
_exptl_crystal_density_diffrn 1.546
_exptl_crystal_density_meas ?
_exptl_crystal_density_method ?
_exptl_crystal_description plate
_exptl_crystal_F_000 2792
_exptl_crystal_size_max 0.16
_exptl_crystal_size_mid 0.14
_exptl_crystal_size_min 0.12
_exptl_transmission_factor_max ?
_exptl_transmission_factor_min ?
_diffrn_reflns_av_R_equivalents 0.0330
_diffrn_reflns_av_unetI/netI 0.0275
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max 22
_diffrn_reflns_limit_h_min -16
_diffrn_reflns_limit_k_max 22
_diffrn_reflns_limit_k_min -22
_diffrn_reflns_limit_l_max 22
_diffrn_reflns_limit_l_min -21
_diffrn_reflns_number 43751
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full 67.684
_diffrn_reflns_theta_max 76.204
_diffrn_reflns_theta_min 3.446
_diffrn_ambient_environment N~2~
_diffrn_ambient_temperature 150.01(12)
_diffrn_detector 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):
# Type Start End Width t~exp~ \w \q \k \f Frames
--------------------------------------------------------------------------
1 \w -35.00 14.00 1.00 1.00 -- -42.66 38.00-150.00 49
2 \w -107.00 -20.00 1.00 1.00 -- -42.66 -77.00 -90.00 87
3 \w 88.00 125.00 1.00 1.00 -- 42.66 178.00 -30.00 37
4 \w 69.00 97.00 1.00 4.00 -- 111.00 -45.00 90.00 28
5 \w 51.00 97.00 1.00 4.00 -- 111.00 -95.00 -30.00 46
6 \w 50.00 89.00 1.00 4.00 -- 111.00 -30.00 60.00 39
7 \w 38.00 86.00 1.00 4.00 -- 111.00 -30.00-120.00 48
8 \w 62.00 87.00 1.00 4.00 -- 111.00 -30.00 -30.00 25
9 \w 90.00 156.00 1.00 4.00 -- 111.00 45.00-150.00 66
10 \w 46.00 102.00 1.00 4.00 -- 111.00-106.00 -82.00 56
11 \w 45.00 112.00 1.00 4.00 -- 111.00-125.00 120.00 67
12 \w -25.00 16.00 1.00 1.00 -- -42.66 38.00 60.00 41
13 \w 63.00 116.00 1.00 1.00 -- 42.66 178.00-150.00 53
14 \w 70.00 96.00 1.00 4.00 -- 111.00 -77.00 -90.00 26
15 \w 36.00 87.00 1.00 4.00 -- 111.00 -30.00 120.00 51
16 \w 66.00 92.00 1.00 4.00 -- 111.00 -45.00 -60.00 26
17 \w 114.00 142.00 1.00 4.00 -- 111.00 -77.00 -90.00 28
18 \w 43.00 91.00 1.00 4.00 -- 111.00 -30.00 -60.00 48
19 \w 152.00 178.00 1.00 4.00 -- 111.00 125.00 -30.00 26
20 \w 126.00 167.00 1.00 4.00 -- 111.00 45.00-120.00 41
21 \w 65.00 91.00 1.00 4.00 -- 111.00 -45.00 -90.00 26
22 \w 76.00 109.00 1.00 4.00 -- 111.00 15.00 30.00 33
23 \w -38.00 1.00 1.00 1.00 -- -42.66 38.00 0.00 39
24 \w 99.00 126.00 1.00 1.00 -- 42.66 178.00 -30.00 27
25 \w 68.00 94.00 1.00 4.00 -- 111.00-125.00 -30.00 26
26 \w 140.00 175.00 1.00 4.00 -- 111.00 30.00 -30.00 35
27 \w 93.00 118.00 1.00 4.00 -- 111.00-125.00 -90.00 25
28 \w 86.00 135.00 1.00 4.00 -- 111.00 -61.00 90.00 49
29 \w 59.00 118.00 1.00 4.00 -- 111.00-125.00-180.00 59
30 \w 121.00 147.00 1.00 4.00 -- 111.00 45.00 0.00 26
31 \w -46.00 8.00 1.00 1.00 -- -42.66 38.00-180.00 54
32 \w -45.00 -4.00 1.00 1.00 -- -42.66 38.00 -30.00 41
33 \w -49.00 25.00 1.00 1.00 -- -42.66 38.00 -90.00 74
34 \w 99.00 126.00 1.00 1.00 -- 42.66 178.00 0.00 27
35 \w 94.00 157.00 1.00 4.00 -- 111.00 61.00 30.00 63
36 \w 77.00 118.00 1.00 4.00 -- 111.00-125.00 60.00 41
37 \w 90.00 117.00 1.00 4.00 -- 111.00-125.00-120.00 27
38 \w 43.00 84.00 1.00 4.00 -- 111.00 -15.00 60.00 41
39 \w 46.00 108.00 1.00 4.00 -- 111.00 -61.00 30.00 62
40 \w 111.00 148.00 1.00 4.00 -- 111.00 -15.00 60.00 37
41 \w 55.00 89.00 1.00 4.00 -- 111.00 -45.00-150.00 34
42 \w 30.00 81.00 1.00 4.00 -- 111.00 -95.00-120.00 51
43 \w 78.00 118.00 1.00 4.00 -- 111.00-125.00 30.00 40
44 \w 91.00 117.00 1.00 4.00 -- 111.00-125.00 150.00 26
45 \w 94.00 139.00 1.00 4.00 -- 111.00 30.00 30.00 45
46 \w 86.00 112.00 1.00 4.00 -- 111.00-125.00 90.00 26
47 \w 50.00 76.00 1.00 4.00 -- 111.00 -45.00 120.00 26
48 \w 44.00 73.00 1.00 4.00 -- 111.00 -30.00-180.00 29
49 \w 65.00 129.00 1.00 4.00 -- 111.00 -15.00-120.00 64
50 \w -10.00 22.00 1.00 1.00 -- -42.66 77.00 60.00 32
51 \w -71.00 -38.00 1.00 1.00 -- -42.66 77.00 60.00 33
52 \w -35.00 -9.00 1.00 1.00 -- -42.66 38.00 30.00 26
53 \w 43.00 85.00 1.00 4.00 -- 111.00 -30.00 30.00 42
54 \w 94.00 120.00 1.00 4.00 -- 111.00 45.00 90.00 26
55 \w 140.00 175.00 1.00 4.00 -- 111.00 45.00 90.00 35
56 \w 53.00 79.00 1.00 4.00 -- 111.00-125.00 30.00 26
57 \w 64.00 90.00 1.00 4.00 -- 111.00 -45.00 60.00 26
58 \w 46.00 72.00 1.00 4.00 -- 111.00 -45.00-120.00 26
59 \w 112.00 148.00 1.00 4.00 -- 111.00 45.00 -90.00 36
;
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11 0.0124276000
_diffrn_orient_matrix_UB_12 -0.0475792000
_diffrn_orient_matrix_UB_13 0.0698928000
_diffrn_orient_matrix_UB_21 -0.0186321000
_diffrn_orient_matrix_UB_22 -0.0697966000
_diffrn_orient_matrix_UB_23 -0.0450575000
_diffrn_orient_matrix_UB_31 0.0819407000
_diffrn_orient_matrix_UB_32 -0.0086740000
_diffrn_orient_matrix_UB_33 -0.0206865000
_diffrn_radiation_monochromator mirror
_diffrn_radiation_probe x-ray
_diffrn_radiation_type CuK\a
_diffrn_radiation_wavelength 1.54184
_diffrn_source 'micro-focus sealed X-ray tube'
_diffrn_source_type 'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage 0.925
_reflns_Friedel_fraction_full 0.999
_reflns_Friedel_fraction_max 0.983
_reflns_number_gt 12088
_reflns_number_total 12248
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta 74.33
_reflns_special_details
;
Reflections were merged by SHELXL according to the crystal
class for the calculation of statistics and refinement.
_reflns_Friedel_fraction is defined as the number of unique
Friedel pairs measured divided by the number that would be
possible theoretically, ignoring centric projections and
systematic absences.
;
_reflns_threshold_expression 'I > 2\s(I)'
_computing_cell_refinement 'CrysAlisPro 1.171.39.31c (Rigaku OD, 2017)'
_computing_data_collection 'CrysAlisPro 1.171.39.31c (Rigaku OD, 2017)'
_computing_data_reduction 'CrysAlisPro 1.171.39.31c (Rigaku OD, 2017)'
_computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material 'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement 'ShelXL (Sheldrick, 2015)'
_computing_structure_solution 'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max 0.539
_refine_diff_density_min -0.228
_refine_diff_density_rms 0.051
_refine_ls_abs_structure_details
;
Flack x determined using 5681 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack -0.0175(19)
_refine_ls_extinction_coef .
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.049
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 994
_refine_ls_number_reflns 12248
_refine_ls_number_restraints 1093
_refine_ls_R_factor_all 0.0273
_refine_ls_R_factor_gt 0.0269
_refine_ls_restrained_S_all 1.113
_refine_ls_shift/su_max 0.001
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0443P)^2^+2.5718P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0706
_refine_ls_wR_factor_ref 0.0711
_refine_special_details ?
_olex2_refinement_description
;
1. Fixed Uiso
At 1.2 times of:
All C(H) groups, All C(H,H) groups
At 1.5 times of:
All C(H,H,H) groups
2. Restrained distances
F3-F2 \\sim F3-F1 \\sim F2-F1 \\sim F3A-F2A \\sim F3A-F1A \\sim F2A-F1A
with sigma of 0.04
C32-F3 \\sim C32-F2 \\sim C32-F1 \\sim C32-F3A \\sim C32-F2A \\sim C32-F1A
with sigma of 0.02
F6-F5 \\sim F6-F4 \\sim F5-F4 \\sim F6A-F5A \\sim F6A-F4A \\sim F5A-F4A
with sigma of 0.04
C33-F6 \\sim C33-F5 \\sim C33-F4 \\sim C33-F6A \\sim C33-F5A \\sim C33-F4A
with sigma of 0.02
F23-F22 \\sim F23-F24 \\sim F23A-F22A \\sim F23A-F24A \\sim F22A-F24A \\sim
F22-F24
with sigma of 0.04
C58-F23 \\sim C58-F23A \\sim C58-F22A \\sim C58-F22 \\sim C58-F24 \\sim
C58-F24A
with sigma of 0.02
F9-F7 \\sim F9-F8 \\sim F7-F8 \\sim F9A-F7A \\sim F9A-F8A \\sim F7A-F8A
with sigma of 0.04
C40-F9 \\sim C40-F7 \\sim C40-F8 \\sim C40-F9A \\sim C40-F7A \\sim C40-F8A
with sigma of 0.02
F12-F11 \\sim F12-F10 \\sim F11-F10 \\sim F12A-F11A \\sim F12A-F10A \\sim
F11A-F10A
with sigma of 0.04
C41-F12 \\sim C41-F11 \\sim C41-F10 \\sim C41-F12A \\sim C41-F11A \\sim
C41-F10A
with sigma of 0.02
F13-F15 \\sim F13-F14 \\sim F15-F14 \\sim F13A-F15A \\sim F13A-F14A \\sim
F15A-F14A
with sigma of 0.04
C48-F13 \\sim C48-F15 \\sim C48-F14 \\sim C48-F13A \\sim C48-F15A \\sim
C48-F14A
with sigma of 0.02
F17-F18 \\sim F17-F16 \\sim F18-F16 \\sim F17A-F18A \\sim F17A-F16A \\sim
F18A-F16A
with sigma of 0.04
C49-F17 \\sim C49-F18 \\sim C49-F16 \\sim C49-F17A \\sim C49-F18A \\sim
C49-F16A
with sigma of 0.02
F20-F21 \\sim F20-F19 \\sim F21-F19 \\sim F21A-F19A \\sim F21A-F20A \\sim
F19A-F20A
with sigma of 0.04
C57-F20 \\sim C57-F21 \\sim C57-F19 \\sim C57-F21A \\sim C57-F19A \\sim
C57-F20A
with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F3 \\sim F2 \\sim F1 \\sim C32 \\sim F3A \\sim F2A \\sim F1A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
F6 \\sim F5 \\sim F4 \\sim C33 \\sim F6A \\sim F5A \\sim F4A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
F24 \\sim F22 \\sim F23 \\sim C58 \\sim F24A \\sim F22A \\sim F23A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F9 \\sim F7 \\sim F8 \\sim C40 \\sim F9A \\sim F7A \\sim F8A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
F12 \\sim F11 \\sim F10 \\sim C41 \\sim F12A \\sim F11A \\sim F10A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F13 \\sim F15 \\sim F14 \\sim C48 \\sim F13A \\sim F15A \\sim F14A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F17 \\sim F18 \\sim F16 \\sim C49 \\sim F17A \\sim F18A \\sim F16A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F20 \\sim F21 \\sim F19 \\sim C57 \\sim F21A \\sim F19A \\sim F20A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
F3, F2, F1, C32, F3A, F2A, F1A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F6, F5, F4, C33, F6A, F5A, F4A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F24, F22, F23, C58, F24A, F22A, F23A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F9, F7, F8, C40, F9A, F7A, F8A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F12, F11, F10, C41, F12A, F11A, F10A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F13, F15, F14, C48, F13A, F15A, F14A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F17, F18, F16, C49, F17A, F18A, F16A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F20, F21, F19, C57, F21A, F19A, F20A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
Fixed Sof: F12(0.61835) F20(0.62802) F11(0.61835) F3(0.69571) F6(0.56251)
F9(0.46273) F2(0.69571) F17(0.94019) F18(0.94019) F10(0.61835) F21(0.62802)
F24(0.69638) F13(0.71946) F15(0.71946) F19(0.62802) F16(0.94019) F1(0.69571)
F22(0.69638) F23(0.69638) F7(0.46273) F14(0.71946) F8(0.46273) F5(0.56251)
F4(0.56251) F3A(0.30429) F2A(0.30429) F1A(0.30429) F6A(0.43749) F5A(0.43749)
F4A(0.43749) F24A(0.30362) F22A(0.30362) F23A(0.30362) F9A(0.53727)
F7A(0.53727) F8A(0.53727) F12A(0.38165) F11A(0.38165) F10A(0.38165)
F13A(0.28054) F15A(0.28054) F14A(0.28054) F17A(0.05981) F18A(0.05981)
F16A(0.05981) F21A(0.37198) F19A(0.37198) F20A(0.37198)
6.a Ternary CH refined with riding coordinates:
C1(H1), C4(H4), C2(H2), C5(H5), C6(H6), C3(H3)
6.b Secondary CH2 refined with riding coordinates:
C7(H7a,H7b), C8(H8a,H8b), C9(H9a,H9b)
6.c Aromatic/amide H refined with riding coordinates:
C47(H47), C51(H51), C27(H27), C29(H29), C31(H31), C35(H35), C39(H39),
C37(H37), C53(H53), C55(H55), C45(H45), C43(H43)
6.d Idealised Me refined as rotating group:
C21(H21a,H21b,H21c), C12(H12a,H12b,H12c), C15(H15a,H15b,H15c), C25(H25a,H25b,
H25c), C13(H13a,H13b,H13c), C11(H11a,H11b,H11c), C19(H19a,H19b,H19c), C24(H24a,
H24b,H24c), C23(H23a,H23b,H23c), C20(H20a,H20b,H20c), C16(H16a,H16b,H16c),
C17(H17a,H17b,H17c)
;
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary dual
_atom_sites_solution_secondary ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.20539(2) -0.49964(2) -0.25000(2) 0.02745(6) Uani 1 1 d . . . . .
P2 P 0.29989(4) -0.42951(4) -0.19531(4) 0.02631(15) Uani 1 1 d . . . . .
P1 P 0.29992(4) -0.56975(4) -0.30470(4) 0.02634(15) Uani 1 1 d . . . . .
F12 F 0.4460(6) -0.2198(5) -0.8526(8) 0.048(2) Uani 0.6184 1 d D U P A 1
F20 F 0.1818(6) -0.6698(6) -0.9657(5) 0.0537(19) Uani 0.628 1 d D U P B 1
F11 F 0.4603(4) -0.3200(7) -0.9146(6) 0.0527(19) Uani 0.6184 1 d D U P A 1
F3 F 0.4475(5) -0.7788(4) -0.6471(7) 0.0495(19) Uani 0.6957 1 d D U P C 1
F6 F 0.5280(5) -0.6443(6) -0.8909(8) 0.055(2) Uani 0.5625 1 d D U P D 1
F9 F 0.5281(7) -0.3344(7) -0.6112(11) 0.054(3) Uani 0.4627 1 d D U P E 1
F2 F 0.4585(3) -0.6789(5) -0.5841(4) 0.0528(15) Uani 0.6957 1 d D U P C 1
F17 F 0.1107(2) -0.39707(18) -0.46137(15) 0.0677(9) Uani 0.9402 1 d D U P F 1
F18 F 0.1846(2) -0.33358(17) -0.52789(19) 0.0628(8) Uani 0.9402 1 d D U P F 1
F10 F 0.3538(5) -0.2689(5) -0.9112(5) 0.0486(17) Uani 0.6184 1 d D U P A 1
F21 F 0.1191(5) -0.6035(7) -1.0408(5) 0.0548(19) Uani 0.628 1 d D U P B 1
F24 F 0.0786(7) -0.3125(7) -0.8426(5) 0.072(3) Uani 0.6964 1 d D U P G 1
F13 F 0.0074(3) -0.6257(3) -0.5830(3) 0.0521(12) Uani 0.7195 1 d D U P H 1
F15 F 0.0779(7) -0.6865(6) -0.6578(5) 0.072(3) Uani 0.7195 1 d D U P H 1
F19 F 0.0666(5) -0.6524(8) -0.9452(8) 0.065(3) Uani 0.628 1 d D U P B 1
C47 C 0.19786(16) -0.44336(16) -0.63315(16) 0.0234(5) Uani 1 1 d . . . . .
H47 H 0.223356 -0.398213 -0.640541 0.028 Uiso 1 1 calc R . . . .
F16 F 0.0720(2) -0.34192(19) -0.5591(2) 0.0690(9) Uani 0.9402 1 d D U P F 1
C51 C 0.19802(16) -0.55602(16) -0.86685(16) 0.0233(5) Uani 1 1 d . . . . .
H51 H 0.223674 -0.601092 -0.859481 0.028 Uiso 1 1 calc R . . . .
F1 F 0.3534(4) -0.7316(4) -0.5902(4) 0.0510(15) Uani 0.6957 1 d D U P C 1
F22 F 0.0073(3) -0.3738(4) -0.9164(4) 0.0523(13) Uani 0.6964 1 d D U P G 1
C28 C 0.39646(16) -0.67115(16) -0.69870(16) 0.0238(5) Uani 1 1 d . . . . .
F23 F 0.1021(3) -0.3196(3) -0.9594(4) 0.0704(16) Uani 0.6964 1 d D U P G 1
C27 C 0.34383(15) -0.61506(16) -0.69353(15) 0.0212(5) Uani 1 1 d . . . . .
H27 H 0.319342 -0.607246 -0.647533 0.025 Uiso 1 1 calc R . . . .
C26 C 0.32630(15) -0.57021(15) -0.75417(15) 0.0180(5) Uani 1 1 d . . . . .
C29 C 0.43264(17) -0.68488(16) -0.76443(18) 0.0267(6) Uani 1 1 d . . . . .
H29 H 0.467597 -0.723706 -0.768108 0.032 Uiso 1 1 calc R . . . .
C31 C 0.36535(16) -0.58456(15) -0.81988(15) 0.0220(5) Uani 1 1 d . . . . .
H31 H 0.356096 -0.554662 -0.862261 0.026 Uiso 1 1 calc R . . . .
C35 C 0.36536(15) -0.41470(15) -0.67999(15) 0.0218(5) Uani 1 1 d . . . . .
H35 H 0.356188 -0.444506 -0.637563 0.026 Uiso 1 1 calc R . . . .
C52 C 0.14469(18) -0.55170(18) -0.92271(16) 0.0298(6) Uani 1 1 d . . . . .
C30 C 0.41669(16) -0.64043(17) -0.82532(16) 0.0262(6) Uani 1 1 d . . . . .
C38 C 0.39641(16) -0.32810(16) -0.80141(16) 0.0236(5) Uani 1 1 d . . . . .
C34 C 0.32624(14) -0.42903(15) -0.74576(15) 0.0179(5) Uani 1 1 d . . . . .
C46 C 0.14471(18) -0.44759(18) -0.57736(16) 0.0289(6) Uani 1 1 d . . . . .
F7 F 0.4531(5) -0.4068(4) -0.5577(5) 0.056(2) Uani 0.4627 1 d D U P E 1
C42 C 0.21476(13) -0.50370(19) -0.67860(13) 0.0197(4) Uani 1 1 d . . . . .
C39 C 0.34378(15) -0.38417(15) -0.80652(15) 0.0216(5) Uani 1 1 d . . . . .
H39 H 0.319214 -0.392048 -0.852553 0.026 Uiso 1 1 calc R . . . .
C36 C 0.41684(16) -0.35866(17) -0.67474(16) 0.0258(5) Uani 1 1 d . . . . .
C56 C 0.21472(13) -0.49548(19) -0.82129(12) 0.0194(4) Uani 1 1 d . . . . .
C37 C 0.43272(17) -0.31424(16) -0.73557(18) 0.0267(6) Uani 1 1 d . . . . .
H37 H 0.467650 -0.275385 -0.731833 0.032 Uiso 1 1 calc R . . . .
C14 C 0.3152(2) -0.5460(2) -0.4070(2) 0.0392(8) Uani 1 1 d . . . . .
F14 F 0.1026(3) -0.6801(3) -0.5413(3) 0.0707(15) Uani 0.7195 1 d D U P H 1
C41 C 0.41325(19) -0.28322(18) -0.86949(19) 0.0336(6) Uani 1 1 d D U . . .
F8 F 0.4333(7) -0.2908(6) -0.5658(7) 0.074(3) Uani 0.4627 1 d D U P E 1
C18 C 0.3154(2) -0.4533(2) -0.0930(2) 0.0399(8) Uani 1 1 d . . . . .
C53 C 0.10646(17) -0.4871(2) -0.93523(17) 0.0342(7) Uani 1 1 d . . . . .
H53 H 0.070836 -0.484037 -0.973907 0.041 Uiso 1 1 calc R . . . .
F5 F 0.4287(5) -0.6185(5) -0.9540(4) 0.068(2) Uani 0.5625 1 d D U P D 1
C10 C 0.2984(2) -0.6730(2) -0.2906(3) 0.0393(8) Uani 1 1 d . . . . .
C22 C 0.2985(2) -0.3263(2) -0.2095(2) 0.0390(8) Uani 1 1 d . . . . .
C55 C 0.17459(16) -0.43107(17) -0.83492(16) 0.0251(5) Uani 1 1 d . . . . .
H55 H 0.184298 -0.388778 -0.805320 0.030 Uiso 1 1 calc R . . . .
C44 C 0.12108(17) -0.5727(2) -0.61024(18) 0.0316(6) Uani 1 1 d . . . . .
C45 C 0.10646(17) -0.5122(2) -0.56481(17) 0.0344(7) Uani 1 1 d . . . . .
H45 H 0.070984 -0.515296 -0.526124 0.041 Uiso 1 1 calc R . . . .
C32 C 0.41317(19) -0.71609(18) -0.63040(19) 0.0339(6) Uani 1 1 d D U . . .
C1 C 0.11115(19) -0.5448(3) -0.3117(2) 0.0465(10) Uani 1 1 d . . . . .
H1 H 0.116413 -0.574964 -0.357963 0.056 Uiso 1 1 calc R . . . .
C43 C 0.17462(16) -0.56827(17) -0.66503(16) 0.0250(5) Uani 1 1 d . . . . .
H43 H 0.184452 -0.610621 -0.694470 0.030 Uiso 1 1 calc R . . . .
C4 C 0.11096(19) -0.4546(3) -0.1884(2) 0.0451(9) Uani 1 1 d . . . . .
H4 H 0.116295 -0.424447 -0.142124 0.054 Uiso 1 1 calc R . . . .
C54 C 0.12117(17) -0.4266(2) -0.88997(18) 0.0320(6) Uani 1 1 d . . . . .
C57 C 0.1278(2) -0.6187(2) -0.9686(2) 0.0444(8) Uani 1 1 d D U . . .
F4 F 0.4487(5) -0.7265(4) -0.9176(5) 0.0613(18) Uani 0.5625 1 d D U P D 1
C49 C 0.1276(2) -0.3809(2) -0.5315(2) 0.0445(8) Uani 1 1 d D U . . .
C2 C 0.1111(2) -0.5747(3) -0.2414(3) 0.0484(10) Uani 1 1 d . . . . .
H2 H 0.116505 -0.628727 -0.231785 0.058 Uiso 1 1 calc R . . . .
C21 C 0.3962(3) -0.4499(3) -0.0699(3) 0.0551(10) Uani 1 1 d . . . . .
H21A H 0.424633 -0.485412 -0.099254 0.083 Uiso 1 1 calc GR . . . .
H21B H 0.400698 -0.461906 -0.016967 0.083 Uiso 1 1 calc GR . . . .
H21C H 0.415296 -0.400095 -0.078717 0.083 Uiso 1 1 calc GR . . . .
C12 C 0.2911(3) -0.6865(2) -0.2068(3) 0.0489(10) Uani 1 1 d . . . . .
H12A H 0.336744 -0.671526 -0.181766 0.073 Uiso 1 1 calc GR . . . .
H12B H 0.282139 -0.738997 -0.197794 0.073 Uiso 1 1 calc GR . . . .
H12C H 0.249774 -0.657599 -0.187341 0.073 Uiso 1 1 calc GR . . . .
C15 C 0.3964(3) -0.5493(3) -0.4300(3) 0.0549(10) Uani 1 1 d . . . . .
H15A H 0.424713 -0.513173 -0.401210 0.082 Uiso 1 1 calc GR . . . .
H15B H 0.400741 -0.538083 -0.483151 0.082 Uiso 1 1 calc GR . . . .
H15C H 0.415813 -0.598849 -0.420414 0.082 Uiso 1 1 calc GR . . . .
C7 C 0.00521(18) -0.4996(5) -0.2500(2) 0.0607(11) Uani 1 1 d . . . . .
H7A H -0.025924 -0.458475 -0.232108 0.073 Uiso 1 1 calc R . . . .
H7B H -0.025950 -0.540749 -0.268001 0.073 Uiso 1 1 calc R . . . .
C33 C 0.4566(2) -0.6539(2) -0.89741(19) 0.0403(8) Uani 1 1 d D U . . .
C5 C 0.1110(2) -0.4246(3) -0.2586(3) 0.0481(10) Uani 1 1 d . . . . .
H5 H 0.116422 -0.370577 -0.268034 0.058 Uiso 1 1 calc R . . . .
C25 C 0.3694(2) -0.2895(2) -0.1804(3) 0.0541(11) Uani 1 1 d . . . . .
H25A H 0.371052 -0.293235 -0.126040 0.081 Uiso 1 1 calc GR . . . .
H25B H 0.369782 -0.237485 -0.195014 0.081 Uiso 1 1 calc GR . . . .
H25C H 0.412431 -0.314423 -0.201624 0.081 Uiso 1 1 calc GR . . . .
B1 B 0.27045(13) -0.4996(2) -0.75002(13) 0.0171(4) Uani 1 1 d . . . . .
C58 C 0.0787(2) -0.3567(3) -0.9014(2) 0.0494(9) Uani 1 1 d D U . . .
C6 C 0.0634(2) -0.4751(3) -0.3072(2) 0.0519(11) Uani 1 1 d . . . . .
H6 H 0.044790 -0.454248 -0.355197 0.062 Uiso 1 1 calc R . . . .
C8 C 0.38660(18) -0.5412(2) -0.25854(19) 0.0293(6) Uani 1 1 d . . . . .
H8A H 0.392646 -0.569091 -0.211604 0.035 Uiso 1 1 calc R . . . .
H8B H 0.428881 -0.553046 -0.291164 0.035 Uiso 1 1 calc R . . . .
C13 C 0.3695(2) -0.7098(2) -0.3191(3) 0.0549(11) Uani 1 1 d . . . . .
H13A H 0.371455 -0.705992 -0.373469 0.082 Uiso 1 1 calc GR . . . .
H13B H 0.369726 -0.761868 -0.304615 0.082 Uiso 1 1 calc GR . . . .
H13C H 0.412420 -0.684990 -0.297454 0.082 Uiso 1 1 calc GR . . . .
C9 C 0.38656(18) -0.45813(19) -0.24151(19) 0.0289(6) Uani 1 1 d . . . . .
H9A H 0.392441 -0.430227 -0.288449 0.035 Uiso 1 1 calc R . . . .
H9B H 0.428945 -0.446219 -0.208877 0.035 Uiso 1 1 calc R . . . .
C48 C 0.0786(2) -0.6426(3) -0.5986(2) 0.0493(9) Uani 1 1 d D U . . .
C40 C 0.4564(2) -0.3455(2) -0.60249(19) 0.0395(8) Uani 1 1 d D U . . .
C11 C 0.2314(3) -0.7093(2) -0.3283(3) 0.0541(10) Uani 1 1 d . . . . .
H11A H 0.186471 -0.682665 -0.314421 0.081 Uiso 1 1 calc GR . . . .
H11B H 0.227531 -0.760708 -0.311970 0.081 Uiso 1 1 calc GR . . . .
H11C H 0.237519 -0.707713 -0.382396 0.081 Uiso 1 1 calc GR . . . .
C19 C 0.2894(3) -0.5335(3) -0.0817(2) 0.0534(11) Uani 1 1 d . . . . .
H19A H 0.237492 -0.537811 -0.096178 0.080 Uiso 1 1 calc GR . . . .
H19B H 0.295025 -0.547128 -0.029237 0.080 Uiso 1 1 calc GR . . . .
H19C H 0.319309 -0.566542 -0.112500 0.080 Uiso 1 1 calc GR . . . .
C24 C 0.2315(3) -0.2898(2) -0.1713(3) 0.0533(10) Uani 1 1 d . . . . .
H24A H 0.186495 -0.316742 -0.184598 0.080 Uiso 1 1 calc GR . . . .
H24B H 0.227193 -0.238543 -0.187847 0.080 Uiso 1 1 calc GR . . . .
H24C H 0.238241 -0.291093 -0.117205 0.080 Uiso 1 1 calc GR . . . .
C23 C 0.2911(3) -0.3128(2) -0.2930(3) 0.0495(10) Uani 1 1 d . . . . .
H23A H 0.336686 -0.327666 -0.318036 0.074 Uiso 1 1 calc GR . . . .
H23B H 0.281972 -0.260312 -0.302086 0.074 Uiso 1 1 calc GR . . . .
H23C H 0.249755 -0.341774 -0.312617 0.074 Uiso 1 1 calc GR . . . .
C3 C 0.0634(2) -0.5241(3) -0.1929(2) 0.0521(11) Uani 1 1 d . . . . .
H3 H 0.044942 -0.544824 -0.144875 0.063 Uiso 1 1 calc R . . . .
C20 C 0.2694(3) -0.4051(3) -0.0409(2) 0.0608(12) Uani 1 1 d . . . . .
H20A H 0.290620 -0.355412 -0.038996 0.091 Uiso 1 1 calc GR . . . .
H20B H 0.269598 -0.426573 0.009103 0.091 Uiso 1 1 calc GR . . . .
H20C H 0.218666 -0.402338 -0.059444 0.091 Uiso 1 1 calc GR . . . .
C16 C 0.2696(3) -0.5941(3) -0.4592(2) 0.0607(12) Uani 1 1 d . . . . .
H16A H 0.290056 -0.644101 -0.459988 0.091 Uiso 1 1 calc GR . . . .
H16B H 0.270846 -0.573324 -0.509488 0.091 Uiso 1 1 calc GR . . . .
H16C H 0.218451 -0.595898 -0.441676 0.091 Uiso 1 1 calc GR . . . .
C17 C 0.2896(3) -0.4660(3) -0.4186(2) 0.0541(11) Uani 1 1 d . . . . .
H17A H 0.237216 -0.461849 -0.405877 0.081 Uiso 1 1 calc GR . . . .
H17B H 0.296696 -0.452054 -0.470776 0.081 Uiso 1 1 calc GR . . . .
H17C H 0.318469 -0.433130 -0.386613 0.081 Uiso 1 1 calc GR . . . .
F3A F 0.4628(10) -0.7685(11) -0.6396(16) 0.045(3) Uani 0.3043 1 d D U P C 2
F2A F 0.4342(9) -0.6770(11) -0.5731(10) 0.055(3) Uani 0.3043 1 d D U P C 2
F1A F 0.3526(8) -0.7521(8) -0.6096(9) 0.047(3) Uani 0.3043 1 d D U P C 2
F6A F 0.5277(7) -0.6659(7) -0.8886(11) 0.054(3) Uani 0.4375 1 d D U P D 2
F5A F 0.4538(5) -0.5914(5) -0.9415(5) 0.057(2) Uani 0.4375 1 d D U P D 2
F4A F 0.4324(8) -0.7080(7) -0.9345(7) 0.076(3) Uani 0.4375 1 d D U P D 2
F24A F 0.0655(14) -0.3248(14) -0.8334(10) 0.050(3) Uani 0.3036 1 d D U P G 2
F22A F 0.0171(9) -0.3572(10) -0.9346(9) 0.068(3) Uani 0.3036 1 d D U P G 2
F23A F 0.1247(8) -0.3038(8) -0.9324(8) 0.074(3) Uani 0.3036 1 d D U P G 2
F9A F 0.5278(6) -0.3558(6) -0.6090(9) 0.056(2) Uani 0.5373 1 d D U P E 2
F7A F 0.4278(5) -0.3797(5) -0.5456(4) 0.064(2) Uani 0.5373 1 d D U P E 2
F8A F 0.4490(6) -0.2725(4) -0.5830(5) 0.0604(19) Uani 0.5373 1 d D U P E 2
F12A F 0.4618(8) -0.2297(10) -0.8593(14) 0.046(3) Uani 0.3816 1 d D U P A 2
F11A F 0.4383(8) -0.3222(11) -0.9255(9) 0.053(3) Uani 0.3816 1 d D U P A 2
F10A F 0.3520(8) -0.2495(8) -0.8925(8) 0.048(3) Uani 0.3816 1 d D U P A 2
F13A F 0.0649(15) -0.6738(14) -0.6669(11) 0.052(4) Uani 0.2805 1 d D U P H 2
F15A F 0.1251(8) -0.6964(8) -0.5685(9) 0.073(3) Uani 0.2805 1 d D U P H 2
F14A F 0.0173(9) -0.6434(11) -0.5650(10) 0.069(3) Uani 0.2805 1 d D U P H 2
F17A F 0.149(2) -0.398(2) -0.4633(14) 0.053(4) Uani 0.0598 1 d D U P F 2
F18A F 0.158(2) -0.3185(17) -0.549(3) 0.058(4) Uani 0.0598 1 d D U P F 2
F16A F 0.0550(11) -0.373(3) -0.528(3) 0.061(4) Uani 0.0598 1 d D U P F 2
F21A F 0.0964(9) -0.5987(13) -1.0332(8) 0.062(3) Uani 0.372 1 d D U P B 2
F19A F 0.0804(9) -0.6634(12) -0.9363(13) 0.058(3) Uani 0.372 1 d D U P B 2
F20A F 0.1872(10) -0.6582(11) -0.9833(10) 0.058(3) Uani 0.372 1 d D U P B 2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Rh1 0.01844(9) 0.03381(10) 0.03009(10) 0.00064(9) 0.00012(6) -0.00001(10)
P2 0.0235(3) 0.0272(3) 0.0282(4) -0.0029(3) 0.0017(3) -0.0001(3)
P1 0.0235(3) 0.0273(3) 0.0283(4) -0.0026(3) -0.0014(3) -0.0001(3)
F12 0.063(5) 0.031(3) 0.049(3) 0.010(2) 0.013(4) -0.016(3)
F20 0.085(4) 0.037(3) 0.039(4) -0.012(3) -0.020(3) -0.003(3)
F11 0.063(4) 0.061(3) 0.035(3) 0.011(2) 0.018(3) 0.012(3)
F3 0.064(4) 0.032(2) 0.052(3) 0.0116(19) -0.011(3) 0.018(3)
F6 0.041(3) 0.079(6) 0.045(3) -0.011(4) 0.020(2) -0.004(3)
F9 0.042(4) 0.069(6) 0.050(4) 0.007(5) -0.017(3) -0.033(4)
F2 0.066(3) 0.059(3) 0.034(3) 0.0111(19) -0.020(2) -0.011(3)
F17 0.115(3) 0.0565(16) 0.0318(12) -0.0009(11) 0.0355(15) 0.0259(19)
F18 0.080(2) 0.0479(15) 0.0601(19) -0.0268(13) 0.0211(15) 0.0035(15)
F10 0.047(3) 0.058(4) 0.041(4) 0.027(3) -0.011(2) -0.009(3)
F21 0.088(5) 0.050(3) 0.026(2) -0.0034(18) -0.017(3) -0.010(4)
F24 0.080(6) 0.049(4) 0.087(4) -0.008(3) -0.038(4) 0.028(3)
F13 0.0352(17) 0.062(3) 0.060(3) 0.020(2) 0.0106(17) -0.0115(16)
F15 0.081(5) 0.049(4) 0.085(4) -0.007(3) 0.039(4) -0.029(3)
F19 0.062(4) 0.063(6) 0.071(5) 0.005(3) -0.014(4) -0.036(4)
C47 0.0241(13) 0.0260(13) 0.0201(12) 0.0015(10) 0.0018(10) 0.0046(10)
F16 0.079(2) 0.0590(18) 0.069(2) 0.0042(15) 0.0106(16) 0.0438(16)
C51 0.0250(13) 0.0253(13) 0.0195(12) 0.0012(10) -0.0013(10) -0.0044(10)
F1 0.047(2) 0.060(4) 0.046(3) 0.032(2) 0.012(2) 0.009(2)
F22 0.0335(18) 0.062(3) 0.061(3) 0.020(2) -0.0101(18) 0.0114(17)
C28 0.0236(13) 0.0216(12) 0.0262(13) 0.0049(10) -0.0032(11) -0.0015(10)
F23 0.054(3) 0.065(3) 0.093(4) 0.050(3) 0.002(2) 0.012(2)
C27 0.0222(12) 0.0236(12) 0.0179(12) 0.0023(9) 0.0000(9) -0.0017(10)
C26 0.0192(14) 0.0173(11) 0.0175(12) 0.0013(9) -0.0011(10) -0.0023(10)
C29 0.0258(14) 0.0242(13) 0.0302(15) -0.0003(11) -0.0004(12) 0.0060(11)
C31 0.0239(13) 0.0229(13) 0.0191(12) 0.0018(9) 0.0010(10) 0.0024(10)
C35 0.0232(13) 0.0235(13) 0.0186(12) 0.0012(9) -0.0015(10) -0.0020(10)
C52 0.0325(15) 0.0378(16) 0.0190(12) 0.0003(11) -0.0045(11) -0.0134(13)
C30 0.0254(13) 0.0288(13) 0.0245(13) -0.0019(11) 0.0026(11) 0.0038(11)
C38 0.0238(13) 0.0213(12) 0.0256(13) 0.0049(10) 0.0033(10) 0.0005(10)
C34 0.0182(13) 0.0183(11) 0.0172(12) 0.0011(9) 0.0006(10) 0.0022(10)
C46 0.0311(15) 0.0362(16) 0.0195(13) 0.0008(11) 0.0047(11) 0.0124(12)
F7 0.069(5) 0.069(4) 0.030(3) 0.016(3) -0.025(3) -0.036(3)
C42 0.0202(10) 0.0237(11) 0.0151(9) 0.0010(11) -0.0004(8) 0.0028(12)
C39 0.0234(13) 0.0228(12) 0.0185(12) 0.0014(9) 0.0000(9) 0.0014(10)
C36 0.0247(13) 0.0290(13) 0.0236(13) -0.0016(11) -0.0023(11) -0.0041(11)
C56 0.0192(10) 0.0243(11) 0.0148(9) 0.0010(11) 0.0007(8) -0.0033(12)
C37 0.0255(13) 0.0248(13) 0.0298(15) -0.0011(11) -0.0001(12) -0.0063(11)
C14 0.042(2) 0.051(2) 0.0245(15) -0.0049(14) 0.0016(13) 0.0048(16)
F14 0.056(3) 0.065(3) 0.091(4) 0.049(3) -0.002(2) -0.013(2)
C41 0.0344(15) 0.0332(15) 0.0333(15) 0.0124(12) 0.0040(12) -0.0042(12)
F8 0.086(6) 0.092(6) 0.044(5) -0.033(4) -0.006(4) 0.001(5)
C18 0.042(2) 0.052(2) 0.0264(16) -0.0063(14) 0.0006(14) -0.0043(16)
C53 0.0278(13) 0.048(2) 0.0271(13) 0.0076(13) -0.0115(11) -0.0072(13)
F5 0.078(5) 0.105(5) 0.021(2) 0.008(3) 0.013(3) 0.054(4)
C10 0.0358(18) 0.0275(16) 0.055(2) -0.0060(15) -0.0036(16) -0.0018(14)
C22 0.0375(18) 0.0278(16) 0.052(2) -0.0058(15) 0.0038(16) 0.0020(14)
C55 0.0242(13) 0.0286(13) 0.0224(13) 0.0015(10) -0.0037(10) 0.0023(11)
C44 0.0261(14) 0.0396(16) 0.0290(14) 0.0060(13) 0.0065(12) -0.0021(13)
C45 0.0283(13) 0.048(2) 0.0265(13) 0.0082(13) 0.0119(11) 0.0068(13)
C32 0.0348(15) 0.0334(15) 0.0335(15) 0.0116(12) -0.0035(12) 0.0045(12)
C1 0.0211(15) 0.076(3) 0.043(2) -0.0093(19) -0.0022(13) -0.0081(16)
C43 0.0257(13) 0.0272(13) 0.0221(12) 0.0003(10) 0.0033(10) -0.0025(11)
C4 0.0207(15) 0.071(3) 0.043(2) -0.0081(18) 0.0050(13) 0.0083(16)
C54 0.0263(14) 0.0402(16) 0.0295(15) 0.0073(13) -0.0067(12) 0.0033(13)
C57 0.058(2) 0.0445(18) 0.0303(16) 0.0001(14) -0.0186(15) -0.0215(16)
F4 0.078(4) 0.061(3) 0.044(4) -0.026(3) 0.006(3) 0.019(3)
C49 0.060(2) 0.0414(17) 0.0317(16) 0.0005(13) 0.0199(15) 0.0230(16)
C2 0.0279(17) 0.060(3) 0.057(2) 0.009(2) -0.0070(16) -0.0166(17)
C21 0.053(2) 0.070(3) 0.043(2) -0.0010(19) -0.0136(18) -0.006(2)
C12 0.061(3) 0.0293(17) 0.057(3) 0.0083(16) -0.004(2) -0.0058(17)
C15 0.052(2) 0.069(3) 0.043(2) 0.0007(19) 0.0134(18) 0.006(2)
C7 0.0213(13) 0.118(4) 0.0425(18) 0.005(3) -0.0003(13) 0.002(3)
C33 0.0417(18) 0.052(2) 0.0274(15) -0.0024(14) 0.0062(13) 0.0190(16)
C5 0.0279(17) 0.058(2) 0.058(2) 0.0063(19) 0.0049(16) 0.0164(17)
C25 0.047(2) 0.0322(18) 0.083(3) -0.0113(19) -0.001(2) -0.0064(16)
B1 0.0194(10) 0.0175(10) 0.0144(10) 0.0003(11) -0.0001(8) 0.0000(14)
C58 0.0459(19) 0.053(2) 0.049(2) 0.0109(17) -0.0136(17) 0.0153(17)
C6 0.0264(16) 0.093(3) 0.0367(18) 0.0112(18) -0.0002(13) 0.0100(17)
C8 0.0219(15) 0.0308(15) 0.0350(16) -0.0004(12) -0.0012(12) 0.0020(12)
C13 0.048(2) 0.0314(18) 0.085(3) -0.0114(19) 0.000(2) 0.0057(16)
C9 0.0216(15) 0.0305(15) 0.0346(16) -0.0009(12) 0.0013(12) -0.0032(12)
C48 0.047(2) 0.053(2) 0.048(2) 0.0109(17) 0.0158(16) -0.0144(17)
C40 0.0391(17) 0.052(2) 0.0270(15) -0.0033(14) -0.0063(13) -0.0171(15)
C11 0.051(2) 0.0387(19) 0.072(3) -0.0112(19) -0.003(2) -0.0147(18)
C19 0.071(3) 0.059(2) 0.0306(18) 0.0073(17) 0.0011(18) -0.011(2)
C24 0.051(2) 0.0396(19) 0.070(3) -0.0109(19) 0.004(2) 0.0122(17)
C23 0.062(3) 0.0302(18) 0.057(3) 0.0078(16) 0.004(2) 0.0068(17)
C3 0.0265(16) 0.095(4) 0.0350(18) 0.0112(18) 0.0006(13) -0.0092(17)
C20 0.069(3) 0.079(3) 0.0337(19) -0.013(2) 0.0046(19) 0.008(3)
C16 0.067(3) 0.079(3) 0.036(2) -0.012(2) -0.0074(19) -0.008(2)
C17 0.073(3) 0.057(2) 0.0316(19) 0.0073(17) -0.0012(19) 0.007(2)
F3A 0.037(5) 0.048(6) 0.049(6) 0.017(5) -0.010(5) 0.011(4)
F2A 0.075(7) 0.057(5) 0.033(5) 0.010(4) -0.015(5) 0.003(6)
F1A 0.043(4) 0.050(6) 0.048(6) 0.026(4) 0.003(4) 0.000(4)
F6A 0.044(4) 0.067(6) 0.052(4) 0.007(5) 0.016(3) 0.035(4)
F5A 0.073(5) 0.070(4) 0.030(4) 0.016(3) 0.027(3) 0.036(3)
F4A 0.089(6) 0.094(6) 0.045(5) -0.034(5) 0.010(4) -0.001(5)
F24A 0.052(6) 0.047(8) 0.051(5) -0.007(5) -0.004(4) 0.028(5)
F22A 0.064(6) 0.076(7) 0.062(6) 0.013(5) -0.034(5) 0.028(5)
F23A 0.082(6) 0.057(5) 0.083(6) 0.025(5) -0.002(5) 0.027(5)
F9A 0.041(3) 0.083(6) 0.045(4) -0.013(5) -0.019(3) 0.004(4)
F7A 0.072(4) 0.098(5) 0.024(2) 0.007(3) -0.012(3) -0.046(4)
F8A 0.078(4) 0.062(3) 0.042(4) -0.023(3) -0.007(3) -0.020(3)
F12A 0.037(4) 0.048(6) 0.052(6) 0.019(4) 0.009(4) -0.013(4)
F11A 0.075(7) 0.055(4) 0.029(4) 0.008(3) 0.017(5) -0.003(5)
F10A 0.045(4) 0.054(6) 0.045(6) 0.028(4) -0.002(4) 0.003(4)
F13A 0.058(7) 0.045(8) 0.053(5) -0.010(5) 0.006(4) -0.029(6)
F15A 0.079(6) 0.058(5) 0.082(7) 0.023(5) 0.000(5) -0.029(5)
F14A 0.067(6) 0.077(7) 0.063(7) 0.014(6) 0.034(5) -0.025(5)
F17A 0.083(8) 0.043(8) 0.034(7) -0.015(7) 0.019(7) 0.022(8)
F18A 0.077(8) 0.044(7) 0.053(8) -0.004(7) 0.021(8) 0.021(7)
F16A 0.073(6) 0.057(8) 0.053(8) 0.000(8) 0.024(7) 0.033(7)
F21A 0.085(7) 0.064(6) 0.036(5) -0.002(4) -0.035(5) -0.024(6)
F19A 0.079(6) 0.040(5) 0.055(5) 0.015(3) -0.026(5) -0.028(5)
F20A 0.085(5) 0.050(6) 0.039(7) -0.016(5) -0.008(4) -0.011(4)
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P2 2.3488(8) . ?
Rh1 P1 2.3517(8) . ?
Rh1 C1 2.195(4) . ?
Rh1 C4 2.199(4) . ?
Rh1 C2 2.192(4) . ?
Rh1 C5 2.192(4) . ?
P2 C18 1.910(4) . ?
P2 C22 1.890(4) . ?
P2 C9 1.853(3) . ?
P1 C14 1.910(4) . ?
P1 C10 1.890(4) . ?
P1 C8 1.850(3) . ?
F12 C41 1.330(9) . ?
F20 C57 1.349(10) . ?
F11 C41 1.355(9) . ?
F3 C32 1.332(8) . ?
F6 C33 1.310(10) . ?
F9 C40 1.325(12) . ?
F2 C32 1.349(7) . ?
F17 C49 1.331(4) . ?
F18 C49 1.345(6) . ?
F10 C41 1.338(8) . ?
F21 C57 1.336(9) . ?
F24 C58 1.327(10) . ?
F13 C48 1.357(6) . ?
F15 C48 1.330(10) . ?
F19 C57 1.336(10) . ?
C47 H47 0.9500 . ?
C47 C46 1.395(4) . ?
C47 C42 1.400(4) . ?
F16 C49 1.328(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.395(4) . ?
C51 C56 1.403(4) . ?
F1 C32 1.334(7) . ?
F22 C58 1.358(7) . ?
C28 C27 1.398(4) . ?
C28 C29 1.376(4) . ?
C28 C32 1.504(4) . ?
F23 C58 1.314(7) . ?
C27 H27 0.9500 . ?
C27 C26 1.397(4) . ?
C26 C31 1.403(4) . ?
C26 B1 1.634(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.390(4) . ?
C31 H31 0.9500 . ?
C31 C30 1.380(4) . ?
C35 H35 0.9500 . ?
C35 C34 1.402(4) . ?
C35 C36 1.383(4) . ?
C52 C53 1.380(5) . ?
C52 C57 1.499(5) . ?
C30 C33 1.506(4) . ?
C38 C39 1.398(4) . ?
C38 C37 1.377(4) . ?
C38 C41 1.502(4) . ?
C34 C39 1.399(4) . ?
C34 B1 1.634(4) . ?
C46 C45 1.380(5) . ?
C46 C49 1.497(5) . ?
F7 C40 1.375(8) . ?
C42 C43 1.401(4) . ?
C42 B1 1.637(3) . ?
C39 H39 0.9500 . ?
C36 C37 1.389(4) . ?
C36 C40 1.502(4) . ?
C56 C55 1.398(4) . ?
C56 B1 1.632(3) . ?
C37 H37 0.9500 . ?
C14 C15 1.533(6) . ?
C14 C16 1.525(6) . ?
C14 C17 1.538(6) . ?
F14 C48 1.309(6) . ?
C41 F12A 1.323(14) . ?
C41 F11A 1.312(14) . ?
C41 F10A 1.334(12) . ?
F8 C40 1.265(11) . ?
C18 C21 1.524(6) . ?
C18 C19 1.543(6) . ?
C18 C20 1.529(6) . ?
C53 H53 0.9500 . ?
C53 C54 1.393(5) . ?
F5 C33 1.305(8) . ?
C10 C12 1.532(7) . ?
C10 C13 1.540(6) . ?
C10 C11 1.538(6) . ?
C22 C25 1.539(6) . ?
C22 C24 1.546(6) . ?
C22 C23 1.528(7) . ?
C55 H55 0.9500 . ?
C55 C54 1.386(4) . ?
C44 C45 1.394(5) . ?
C44 C43 1.387(4) . ?
C44 C48 1.498(5) . ?
C45 H45 0.9500 . ?
C32 F3A 1.319(16) . ?
C32 F2A 1.306(15) . ?
C32 F1A 1.332(14) . ?
C1 H1 1.0000 . ?
C1 C2 1.376(6) . ?
C1 C6 1.536(7) . ?
C43 H43 0.9500 . ?
C4 H4 1.0000 . ?
C4 C5 1.373(6) . ?
C4 C3 1.530(7) . ?
C54 C58 1.497(5) . ?
C57 F21A 1.342(14) . ?
C57 F19A 1.319(15) . ?
C57 F20A 1.321(15) . ?
F4 C33 1.375(9) . ?
C49 F17A 1.32(2) . ?
C49 F18A 1.30(2) . ?
C49 F16A 1.33(2) . ?
C2 H2 1.0000 . ?
C2 C3 1.534(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C6 1.540(6) . ?
C7 C3 1.537(5) . ?
C33 F6A 1.318(12) . ?
C33 F5A 1.383(9) . ?
C33 F4A 1.266(12) . ?
C5 H5 1.0000 . ?
C5 C6 1.532(7) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C58 F24A 1.373(15) . ?
C58 F22A 1.264(14) . ?
C58 F23A 1.390(13) . ?
C6 H6 1.0000 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.537(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C48 F13A 1.374(15) . ?
C48 F15A 1.398(14) . ?
C48 F14A 1.268(14) . ?
C40 F9A 1.314(10) . ?
C40 F7A 1.304(8) . ?
C40 F8A 1.377(9) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C3 H3 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Rh1 P1 86.34(3) . . ?
C1 Rh1 P2 168.78(13) . . ?
C1 Rh1 P1 98.88(11) . . ?
C1 Rh1 C4 77.70(15) . . ?
C4 Rh1 P2 98.98(11) . . ?
C4 Rh1 P1 168.76(13) . . ?
C2 Rh1 P2 151.14(12) . . ?
C2 Rh1 P1 105.25(14) . . ?
C2 Rh1 C1 36.55(16) . . ?
C2 Rh1 C4 65.60(18) . . ?
C5 Rh1 P2 105.19(14) . . ?
C5 Rh1 P1 151.19(12) . . ?
C5 Rh1 C1 65.74(18) . . ?
C5 Rh1 C4 36.46(16) . . ?
C5 Rh1 C2 77.38(16) . . ?
C18 P2 Rh1 112.76(13) . . ?
C22 P2 Rh1 118.10(14) . . ?
C22 P2 C18 110.83(19) . . ?
C9 P2 Rh1 106.22(11) . . ?
C9 P2 C18 104.18(17) . . ?
C9 P2 C22 103.19(17) . . ?
C14 P1 Rh1 112.80(13) . . ?
C10 P1 Rh1 117.98(14) . . ?
C10 P1 C14 110.78(19) . . ?
C8 P1 Rh1 106.28(11) . . ?
C8 P1 C14 104.13(17) . . ?
C8 P1 C10 103.31(17) . . ?
C46 C47 H47 119.0 . . ?
C46 C47 C42 121.9(3) . . ?
C42 C47 H47 119.0 . . ?
C52 C51 H51 119.2 . . ?
C52 C51 C56 121.7(3) . . ?
C56 C51 H51 119.2 . . ?
C27 C28 C32 118.5(3) . . ?
C29 C28 C27 121.0(3) . . ?
C29 C28 C32 120.5(3) . . ?
C28 C27 H27 119.1 . . ?
C26 C27 C28 121.8(3) . . ?
C26 C27 H27 119.1 . . ?
C27 C26 C31 115.8(3) . . ?
C27 C26 B1 124.1(2) . . ?
C31 C26 B1 119.9(2) . . ?
C28 C29 H29 120.9 . . ?
C28 C29 C30 118.2(3) . . ?
C30 C29 H29 120.9 . . ?
C26 C31 H31 118.7 . . ?
C30 C31 C26 122.5(3) . . ?
C30 C31 H31 118.7 . . ?
C34 C35 H35 118.9 . . ?
C36 C35 H35 118.9 . . ?
C36 C35 C34 122.3(3) . . ?
C51 C52 C57 119.4(3) . . ?
C53 C52 C51 120.8(3) . . ?
C53 C52 C57 119.8(3) . . ?
C29 C30 C33 119.0(3) . . ?
C31 C30 C29 120.7(3) . . ?
C31 C30 C33 120.4(3) . . ?
C39 C38 C41 118.7(3) . . ?
C37 C38 C39 121.0(3) . . ?
C37 C38 C41 120.3(3) . . ?
C35 C34 B1 119.8(2) . . ?
C39 C34 C35 115.8(3) . . ?
C39 C34 B1 124.1(2) . . ?
C47 C46 C49 119.7(3) . . ?
C45 C46 C47 120.8(3) . . ?
C45 C46 C49 119.5(3) . . ?
C47 C42 C43 116.0(2) . . ?
C47 C42 B1 124.0(3) . . ?
C43 C42 B1 119.7(3) . . ?
C38 C39 C34 121.9(3) . . ?
C38 C39 H39 119.1 . . ?
C34 C39 H39 119.1 . . ?
C35 C36 C37 120.9(3) . . ?
C35 C36 C40 119.8(3) . . ?
C37 C36 C40 119.3(3) . . ?
C51 C56 B1 123.7(3) . . ?
C55 C56 C51 116.1(2) . . ?
C55 C56 B1 119.8(3) . . ?
C38 C37 C36 118.1(3) . . ?
C38 C37 H37 120.9 . . ?
C36 C37 H37 120.9 . . ?
C15 C14 P1 113.1(3) . . ?
C15 C14 C17 106.9(4) . . ?
C16 C14 P1 112.6(3) . . ?
C16 C14 C15 109.4(4) . . ?
C16 C14 C17 107.1(4) . . ?
C17 C14 P1 107.4(3) . . ?
F12 C41 F11 106.4(7) . . ?
F12 C41 F10 108.6(7) . . ?
F12 C41 C38 112.0(7) . . ?
F11 C41 C38 110.5(6) . . ?
F10 C41 F11 105.5(6) . . ?
F10 C41 C38 113.4(5) . . ?
F12A C41 C38 114.9(12) . . ?
F12A C41 F10A 105.0(11) . . ?
F11A C41 C38 113.8(10) . . ?
F11A C41 F12A 105.7(11) . . ?
F11A C41 F10A 107.4(9) . . ?
F10A C41 C38 109.3(8) . . ?
C21 C18 P2 113.1(3) . . ?
C21 C18 C19 107.2(4) . . ?
C21 C18 C20 109.6(4) . . ?
C19 C18 P2 107.2(3) . . ?
C20 C18 P2 112.4(3) . . ?
C20 C18 C19 107.0(4) . . ?
C52 C53 H53 120.7 . . ?
C52 C53 C54 118.6(3) . . ?
C54 C53 H53 120.7 . . ?
C12 C10 P1 106.9(3) . . ?
C12 C10 C13 109.4(4) . . ?
C12 C10 C11 107.1(4) . . ?
C13 C10 P1 111.9(3) . . ?
C11 C10 P1 112.2(3) . . ?
C11 C10 C13 109.2(4) . . ?
C25 C22 P2 111.9(3) . . ?
C25 C22 C24 108.7(3) . . ?
C24 C22 P2 112.0(3) . . ?
C23 C22 P2 107.0(3) . . ?
C23 C22 C25 109.7(4) . . ?
C23 C22 C24 107.4(4) . . ?
C56 C55 H55 118.7 . . ?
C54 C55 C56 122.5(3) . . ?
C54 C55 H55 118.7 . . ?
C45 C44 C48 119.1(3) . . ?
C43 C44 C45 120.3(3) . . ?
C43 C44 C48 120.6(3) . . ?
C46 C45 C44 118.5(3) . . ?
C46 C45 H45 120.8 . . ?
C44 C45 H45 120.8 . . ?
F3 C32 F2 106.3(6) . . ?
F3 C32 F1 108.9(6) . . ?
F3 C32 C28 111.9(6) . . ?
F2 C32 C28 110.7(5) . . ?
F1 C32 F2 105.5(5) . . ?
F1 C32 C28 113.2(4) . . ?
F3A C32 C28 115.1(13) . . ?
F3A C32 F1A 104.2(12) . . ?
F2A C32 C28 114.0(10) . . ?
F2A C32 F3A 107.0(13) . . ?
F2A C32 F1A 106.5(10) . . ?
F1A C32 C28 109.2(8) . . ?
Rh1 C1 H1 123.3 . . ?
C2 C1 Rh1 71.6(2) . . ?
C2 C1 H1 123.3 . . ?
C2 C1 C6 105.9(4) . . ?
C6 C1 Rh1 96.0(3) . . ?
C6 C1 H1 123.3 . . ?
C42 C43 H43 118.8 . . ?
C44 C43 C42 122.5(3) . . ?
C44 C43 H43 118.8 . . ?
Rh1 C4 H4 123.2 . . ?
C5 C4 Rh1 71.5(2) . . ?
C5 C4 H4 123.2 . . ?
C5 C4 C3 106.2(4) . . ?
C3 C4 Rh1 96.1(3) . . ?
C3 C4 H4 123.2 . . ?
C53 C54 C58 119.3(3) . . ?
C55 C54 C53 120.2(3) . . ?
C55 C54 C58 120.4(3) . . ?
F20 C57 C52 112.9(6) . . ?
F21 C57 F20 105.2(6) . . ?
F21 C57 F19 107.6(8) . . ?
F21 C57 C52 113.1(6) . . ?
F19 C57 F20 106.0(8) . . ?
F19 C57 C52 111.5(8) . . ?
F21A C57 C52 110.0(11) . . ?
F19A C57 C52 112.9(13) . . ?
F19A C57 F21A 105.8(12) . . ?
F19A C57 F20A 106.7(13) . . ?
F20A C57 C52 112.6(11) . . ?
F20A C57 F21A 108.5(11) . . ?
F17 C49 F18 105.9(4) . . ?
F17 C49 C46 113.0(3) . . ?
F18 C49 C46 112.5(3) . . ?
F16 C49 F17 107.2(3) . . ?
F16 C49 F18 105.2(4) . . ?
F16 C49 C46 112.5(4) . . ?
F17A C49 C46 105.1(19) . . ?
F17A C49 F16A 106(2) . . ?
F18A C49 C46 119(2) . . ?
F18A C49 F17A 108(3) . . ?
F18A C49 F16A 110(2) . . ?
F16A C49 C46 109(2) . . ?
Rh1 C2 H2 123.0 . . ?
C1 C2 Rh1 71.8(2) . . ?
C1 C2 H2 123.0 . . ?
C1 C2 C3 106.7(4) . . ?
C3 C2 Rh1 96.2(3) . . ?
C3 C2 H2 123.0 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
H7A C7 H7B 110.4 . . ?
C6 C7 H7A 113.0 . . ?
C6 C7 H7B 113.0 . . ?
C3 C7 H7A 113.0 . . ?
C3 C7 H7B 113.0 . . ?
C3 C7 C6 93.4(3) . . ?
F6 C33 C30 112.2(7) . . ?
F6 C33 F4 104.7(7) . . ?
F5 C33 F6 112.7(8) . . ?
F5 C33 C30 113.9(4) . . ?
F5 C33 F4 103.0(6) . . ?
F4 C33 C30 109.4(5) . . ?
F6A C33 C30 113.3(9) . . ?
F6A C33 F5A 103.9(8) . . ?
F5A C33 C30 110.1(5) . . ?
F4A C33 C30 114.4(8) . . ?
F4A C33 F6A 105.9(10) . . ?
F4A C33 F5A 108.8(7) . . ?
Rh1 C5 H5 123.0 . . ?
C4 C5 Rh1 72.1(2) . . ?
C4 C5 H5 123.0 . . ?
C4 C5 C6 106.6(4) . . ?
C6 C5 Rh1 96.2(3) . . ?
C6 C5 H5 123.0 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 B1 C42 112.6(2) . . ?
C34 B1 C26 103.44(17) . . ?
C34 B1 C42 112.4(2) . . ?
C56 B1 C26 112.5(2) . . ?
C56 B1 C34 112.5(2) . . ?
C56 B1 C42 103.64(17) . . ?
F24 C58 F22 107.1(7) . . ?
F24 C58 C54 113.9(7) . . ?
F22 C58 C54 108.9(4) . . ?
F23 C58 F24 108.9(7) . . ?
F23 C58 F22 105.6(4) . . ?
F23 C58 C54 112.0(4) . . ?
F24A C58 C54 109.0(12) . . ?
F24A C58 F23A 99.8(12) . . ?
F22A C58 C54 120.8(10) . . ?
F22A C58 F24A 105.6(14) . . ?
F22A C58 F23A 110.2(9) . . ?
F23A C58 C54 109.3(7) . . ?
C1 C6 C7 100.6(4) . . ?
C1 C6 H6 117.1 . . ?
C7 C6 H6 117.1 . . ?
C5 C6 C1 101.8(3) . . ?
C5 C6 C7 100.3(4) . . ?
C5 C6 H6 117.1 . . ?
P1 C8 H8A 109.4 . . ?
P1 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 P1 111.3(2) . . ?
C9 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C9 H9A 109.4 . . ?
P2 C9 H9B 109.4 . . ?
C8 C9 P2 111.4(2) . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
F13 C48 C44 109.1(4) . . ?
F15 C48 F13 107.1(7) . . ?
F15 C48 C44 113.6(6) . . ?
F14 C48 F13 105.6(4) . . ?
F14 C48 F15 108.7(7) . . ?
F14 C48 C44 112.3(4) . . ?
F13A C48 C44 108.4(13) . . ?
F13A C48 F15A 99.6(13) . . ?
F15A C48 C44 109.6(7) . . ?
F14A C48 C44 121.9(10) . . ?
F14A C48 F13A 105.3(15) . . ?
F14A C48 F15A 109.7(10) . . ?
F9 C40 F7 103.6(8) . . ?
F9 C40 C36 112.9(9) . . ?
F7 C40 C36 110.9(4) . . ?
F8 C40 F9 105.6(9) . . ?
F8 C40 F7 108.3(7) . . ?
F8 C40 C36 114.7(7) . . ?
F9A C40 C36 111.7(7) . . ?
F9A C40 F8A 104.8(7) . . ?
F7A C40 C36 114.3(4) . . ?
F7A C40 F9A 113.3(8) . . ?
F7A C40 F8A 102.7(6) . . ?
F8A C40 C36 109.0(5) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C4 C3 C2 101.9(3) . . ?
C4 C3 C7 100.6(4) . . ?
C4 C3 H3 117.1 . . ?
C2 C3 C7 100.4(4) . . ?
C2 C3 H3 117.1 . . ?
C7 C3 H3 117.1 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P2 C22 C25 -171.6(3) . . . . ?
Rh1 P2 C22 C24 66.0(3) . . . . ?
Rh1 P2 C22 C23 -51.4(4) . . . . ?
Rh1 P2 C9 C8 -36.9(3) . . . . ?
Rh1 P1 C10 C12 -51.5(4) . . . . ?
Rh1 P1 C10 C13 -171.3(3) . . . . ?
Rh1 P1 C10 C11 65.6(3) . . . . ?
Rh1 P1 C8 C9 -36.8(3) . . . . ?
Rh1 C1 C2 C3 91.2(3) . . . . ?
Rh1 C1 C6 C7 -107.0(3) . . . . ?
Rh1 C1 C6 C5 -4.0(3) . . . . ?
Rh1 C4 C5 C6 91.3(3) . . . . ?
Rh1 C4 C3 C2 -3.9(3) . . . . ?
Rh1 C4 C3 C7 -107.0(3) . . . . ?
Rh1 C2 C3 C4 3.9(3) . . . . ?
Rh1 C2 C3 C7 107.2(4) . . . . ?
Rh1 C5 C6 C1 4.0(3) . . . . ?
Rh1 C5 C6 C7 107.2(4) . . . . ?
P1 C8 C9 P2 48.6(3) . . . . ?
C47 C46 C45 C44 -1.3(5) . . . . ?
C47 C46 C49 F17 -145.7(4) . . . . ?
C47 C46 C49 F18 -25.9(5) . . . . ?
C47 C46 C49 F16 92.7(4) . . . . ?
C47 C46 C49 F17A -114(2) . . . . ?
C47 C46 C49 F18A 6(3) . . . . ?
C47 C46 C49 F16A 133(2) . . . . ?
C47 C42 C43 C44 0.2(4) . . . . ?
C47 C42 B1 C26 137.1(3) . . . . ?
C47 C42 B1 C34 20.7(3) . . . . ?
C47 C42 B1 C56 -101.0(3) . . . . ?
C51 C52 C53 C54 -1.2(5) . . . . ?
C51 C52 C57 F20 -19.1(6) . . . . ?
C51 C52 C57 F21 -138.4(5) . . . . ?
C51 C52 C57 F19 100.2(6) . . . . ?
C51 C52 C57 F21A -158.6(8) . . . . ?
C51 C52 C57 F19A 83.5(9) . . . . ?
C51 C52 C57 F20A -37.4(9) . . . . ?
C51 C56 C55 C54 0.1(4) . . . . ?
C51 C56 B1 C26 20.6(3) . . . . ?
C51 C56 B1 C34 136.9(3) . . . . ?
C51 C56 B1 C42 -101.3(3) . . . . ?
C28 C27 C26 C31 -0.7(4) . . . . ?
C28 C27 C26 B1 -174.8(3) . . . . ?
C28 C29 C30 C31 -0.6(5) . . . . ?
C28 C29 C30 C33 179.1(3) . . . . ?
C27 C28 C29 C30 1.4(5) . . . . ?
C27 C28 C32 F3 162.7(5) . . . . ?
C27 C28 C32 F2 -78.9(5) . . . . ?
C27 C28 C32 F1 39.3(5) . . . . ?
C27 C28 C32 F3A 179.3(10) . . . . ?
C27 C28 C32 F2A -56.5(9) . . . . ?
C27 C28 C32 F1A 62.6(8) . . . . ?
C27 C26 C31 C30 1.5(4) . . . . ?
C27 C26 B1 C34 100.7(3) . . . . ?
C27 C26 B1 C42 -20.9(4) . . . . ?
C27 C26 B1 C56 -137.6(3) . . . . ?
C26 C31 C30 C29 -0.8(5) . . . . ?
C26 C31 C30 C33 179.5(3) . . . . ?
C29 C28 C27 C26 -0.7(4) . . . . ?
C29 C28 C32 F3 -17.7(6) . . . . ?
C29 C28 C32 F2 100.7(5) . . . . ?
C29 C28 C32 F1 -141.1(4) . . . . ?
C29 C28 C32 F3A -1.1(11) . . . . ?
C29 C28 C32 F2A 123.1(8) . . . . ?
C29 C28 C32 F1A -117.8(7) . . . . ?
C29 C30 C33 F6 -62.0(7) . . . . ?
C29 C30 C33 F5 168.5(6) . . . . ?
C29 C30 C33 F4 53.8(5) . . . . ?
C29 C30 C33 F6A -43.3(8) . . . . ?
C29 C30 C33 F5A -159.1(5) . . . . ?
C29 C30 C33 F4A 78.1(8) . . . . ?
C31 C26 B1 C34 -73.2(3) . . . . ?
C31 C26 B1 C42 165.2(2) . . . . ?
C31 C26 B1 C56 48.5(3) . . . . ?
C31 C30 C33 F6 117.7(6) . . . . ?
C31 C30 C33 F5 -11.9(7) . . . . ?
C31 C30 C33 F4 -126.6(5) . . . . ?
C31 C30 C33 F6A 136.4(7) . . . . ?
C31 C30 C33 F5A 20.6(6) . . . . ?
C31 C30 C33 F4A -102.2(7) . . . . ?
C35 C34 C39 C38 -0.7(4) . . . . ?
C35 C34 B1 C26 -73.2(3) . . . . ?
C35 C34 B1 C42 48.6(3) . . . . ?
C35 C34 B1 C56 165.1(2) . . . . ?
C35 C36 C37 C38 -0.7(5) . . . . ?
C35 C36 C40 F9 135.7(7) . . . . ?
C35 C36 C40 F7 19.9(6) . . . . ?
C35 C36 C40 F8 -103.2(7) . . . . ?
C35 C36 C40 F9A 117.4(6) . . . . ?
C35 C36 C40 F7A -12.9(7) . . . . ?
C35 C36 C40 F8A -127.2(5) . . . . ?
C52 C51 C56 C55 0.4(4) . . . . ?
C52 C51 C56 B1 173.7(2) . . . . ?
C52 C53 C54 C55 1.7(5) . . . . ?
C52 C53 C54 C58 -178.3(3) . . . . ?
C34 C35 C36 C37 -0.8(5) . . . . ?
C34 C35 C36 C40 179.4(3) . . . . ?
C46 C47 C42 C43 0.5(4) . . . . ?
C46 C47 C42 B1 173.7(2) . . . . ?
C42 C47 C46 C45 0.0(5) . . . . ?
C42 C47 C46 C49 -178.6(3) . . . . ?
C39 C38 C37 C36 1.5(5) . . . . ?
C39 C38 C41 F12 161.1(6) . . . . ?
C39 C38 C41 F11 -80.5(5) . . . . ?
C39 C38 C41 F10 37.7(5) . . . . ?
C39 C38 C41 F12A 177.8(9) . . . . ?
C39 C38 C41 F11A -60.1(8) . . . . ?
C39 C38 C41 F10A 60.0(7) . . . . ?
C39 C34 B1 C26 100.6(3) . . . . ?
C39 C34 B1 C42 -137.7(3) . . . . ?
C39 C34 B1 C56 -21.1(4) . . . . ?
C36 C35 C34 C39 1.5(4) . . . . ?
C36 C35 C34 B1 175.7(3) . . . . ?
C56 C51 C52 C53 0.2(5) . . . . ?
C56 C51 C52 C57 -178.6(3) . . . . ?
C56 C55 C54 C53 -1.1(5) . . . . ?
C56 C55 C54 C58 178.8(3) . . . . ?
C37 C38 C39 C34 -0.7(4) . . . . ?
C37 C38 C41 F12 -19.3(6) . . . . ?
C37 C38 C41 F11 99.1(5) . . . . ?
C37 C38 C41 F10 -142.7(4) . . . . ?
C37 C38 C41 F12A -2.6(9) . . . . ?
C37 C38 C41 F11A 119.5(7) . . . . ?
C37 C38 C41 F10A -120.4(7) . . . . ?
C37 C36 C40 F9 -44.1(8) . . . . ?
C37 C36 C40 F7 -159.9(5) . . . . ?
C37 C36 C40 F8 76.9(7) . . . . ?
C37 C36 C40 F9A -62.5(7) . . . . ?
C37 C36 C40 F7A 167.2(6) . . . . ?
C37 C36 C40 F8A 52.9(6) . . . . ?
C14 P1 C10 C12 176.3(3) . . . . ?
C14 P1 C10 C13 56.6(4) . . . . ?
C14 P1 C10 C11 -66.5(4) . . . . ?
C14 P1 C8 C9 82.5(3) . . . . ?
C41 C38 C39 C34 178.8(3) . . . . ?
C41 C38 C37 C36 -178.1(3) . . . . ?
C18 P2 C22 C25 56.1(4) . . . . ?
C18 P2 C22 C24 -66.2(4) . . . . ?
C18 P2 C22 C23 176.3(3) . . . . ?
C18 P2 C9 C8 82.4(3) . . . . ?
C53 C52 C57 F20 162.1(5) . . . . ?
C53 C52 C57 F21 42.8(6) . . . . ?
C53 C52 C57 F19 -78.6(6) . . . . ?
C53 C52 C57 F21A 22.6(9) . . . . ?
C53 C52 C57 F19A -95.3(9) . . . . ?
C53 C52 C57 F20A 143.8(8) . . . . ?
C53 C54 C58 F24 158.9(6) . . . . ?
C53 C54 C58 F22 39.4(6) . . . . ?
C53 C54 C58 F23 -77.0(5) . . . . ?
C53 C54 C58 F24A 143.1(11) . . . . ?
C53 C54 C58 F22A 20.7(11) . . . . ?
C53 C54 C58 F23A -108.7(8) . . . . ?
C10 P1 C8 C9 -161.7(3) . . . . ?
C22 P2 C9 C8 -161.7(3) . . . . ?
C55 C56 B1 C26 -166.4(2) . . . . ?
C55 C56 B1 C34 -50.0(3) . . . . ?
C55 C56 B1 C42 71.7(3) . . . . ?
C55 C54 C58 F24 -21.0(8) . . . . ?
C55 C54 C58 F22 -140.5(4) . . . . ?
C55 C54 C58 F23 103.1(5) . . . . ?
C55 C54 C58 F24A -36.8(12) . . . . ?
C55 C54 C58 F22A -159.2(10) . . . . ?
C55 C54 C58 F23A 71.4(8) . . . . ?
C45 C46 C49 F17 35.6(5) . . . . ?
C45 C46 C49 F18 155.5(3) . . . . ?
C45 C46 C49 F16 -85.9(4) . . . . ?
C45 C46 C49 F17A 67(2) . . . . ?
C45 C46 C49 F18A -173(3) . . . . ?
C45 C46 C49 F16A -46(2) . . . . ?
C45 C44 C43 C42 -1.5(5) . . . . ?
C45 C44 C48 F13 39.1(5) . . . . ?
C45 C44 C48 F15 158.5(6) . . . . ?
C45 C44 C48 F14 -77.7(5) . . . . ?
C45 C44 C48 F13A 142.7(12) . . . . ?
C45 C44 C48 F15A -109.5(8) . . . . ?
C45 C44 C48 F14A 20.4(12) . . . . ?
C32 C28 C27 C26 178.9(3) . . . . ?
C32 C28 C29 C30 -178.2(3) . . . . ?
C1 C2 C3 C4 -68.9(4) . . . . ?
C1 C2 C3 C7 34.3(5) . . . . ?
C43 C42 B1 C26 -50.0(3) . . . . ?
C43 C42 B1 C34 -166.4(2) . . . . ?
C43 C42 B1 C56 71.9(3) . . . . ?
C43 C44 C45 C46 2.0(5) . . . . ?
C43 C44 C48 F13 -141.4(4) . . . . ?
C43 C44 C48 F15 -22.0(7) . . . . ?
C43 C44 C48 F14 101.9(5) . . . . ?
C43 C44 C48 F13A -37.7(13) . . . . ?
C43 C44 C48 F15A 70.0(8) . . . . ?
C43 C44 C48 F14A -160.1(11) . . . . ?
C4 C5 C6 C1 -69.1(4) . . . . ?
C4 C5 C6 C7 34.2(5) . . . . ?
C57 C52 C53 C54 177.6(3) . . . . ?
C49 C46 C45 C44 177.3(3) . . . . ?
C2 C1 C6 C7 -34.4(4) . . . . ?
C2 C1 C6 C5 68.6(4) . . . . ?
C5 C4 C3 C2 68.5(4) . . . . ?
C5 C4 C3 C7 -34.5(4) . . . . ?
B1 C26 C31 C30 175.8(3) . . . . ?
B1 C34 C39 C38 -174.7(3) . . . . ?
B1 C42 C43 C44 -173.2(3) . . . . ?
B1 C56 C55 C54 -173.5(3) . . . . ?
C6 C1 C2 Rh1 -91.1(3) . . . . ?
C6 C1 C2 C3 0.1(4) . . . . ?
C6 C7 C3 C4 52.3(5) . . . . ?
C6 C7 C3 C2 -52.0(5) . . . . ?
C8 P1 C10 C12 65.3(3) . . . . ?
C8 P1 C10 C13 -54.4(4) . . . . ?
C8 P1 C10 C11 -177.5(3) . . . . ?
C9 P2 C22 C25 -54.9(3) . . . . ?
C9 P2 C22 C24 -177.2(3) . . . . ?
C9 P2 C22 C23 65.3(4) . . . . ?
C48 C44 C45 C46 -178.4(3) . . . . ?
C48 C44 C43 C42 178.9(3) . . . . ?
C40 C36 C37 C38 179.1(3) . . . . ?
C3 C4 C5 Rh1 -91.1(3) . . . . ?
C3 C4 C5 C6 0.2(4) . . . . ?
C3 C7 C6 C1 52.3(5) . . . . ?
C3 C7 C6 C5 -51.9(5) . . . . ?
_shelx_res_file
;
TITL 312amm19.res in C2
new.res
created by SHELXL-2018/3 at 19:25:03 on 17-Jul-2019
CELL 1.54184 18.1357 18.1424 17.9779 90 90.1029 90
ZERR 4 0.0003 0.0004 0.0004 0 0.0015 0
LATT -7
SYMM -X,+Y,-Z
SFAC C H B F P Rh
UNIT 228 240 4 96 8 4
SADI 0.04 F3 F2 F3 F1 F2 F1 F3A F2A F3A F1A F2A F1A
SADI C32 F3 C32 F2 C32 F1 C32 F3A C32 F2A C32 F1A
SADI 0.04 F6 F5 F6 F4 F5 F4 F6A F5A F6A F4A F5A F4A
SADI C33 F6 C33 F5 C33 F4 C33 F6A C33 F5A C33 F4A
SADI 0.04 F23 F22 F23 F24 F23A F22A F23A F24A F22A F24A F22 F24
SADI C58 F23 C58 F23A C58 F22A C58 F22 C58 F24 C58 F24A
SADI 0.04 F9 F7 F9 F8 F7 F8 F9A F7A F9A F8A F7A F8A
SADI C40 F9 C40 F7 C40 F8 C40 F9A C40 F7A C40 F8A
SADI 0.04 F12 F11 F12 F10 F11 F10 F12A F11A F12A F10A F11A F10A
SADI C41 F12 C41 F11 C41 F10 C41 F12A C41 F11A C41 F10A
SADI 0.04 F13 F15 F13 F14 F15 F14 F13A F15A F13A F14A F15A F14A
SADI C48 F13 C48 F15 C48 F14 C48 F13A C48 F15A C48 F14A
SADI 0.04 F17 F18 F17 F16 F18 F16 F17A F18A F17A F16A F18A F16A
SADI C49 F17 C49 F18 C49 F16 C49 F17A C49 F18A C49 F16A
SADI 0.04 F20 F21 F20 F19 F21 F19 F21A F19A F21A F20A F19A F20A
SADI C57 F20 C57 F21 C57 F19 C57 F21A C57 F19A C57 F20A
SIMU 0.01 0.01 2 F3 F2 F1 C32 F3A F2A F1A
SIMU 0.01 0.01 2 F6 F5 F4 C33 F6A F5A F4A
SIMU 0.01 0.01 2 F24 F22 F23 C58 F24A F22A F23A
SIMU 0.01 0.01 2 F9 F7 F8 C40 F9A F7A F8A
SIMU 0.01 0.01 2 F12 F11 F10 C41 F12A F11A F10A
SIMU 0.01 0.01 2 F13 F15 F14 C48 F13A F15A F14A
SIMU 0.01 0.01 2 F17 F18 F16 C49 F17A F18A F16A
SIMU 0.01 0.01 2 F20 F21 F19 C57 F21A F19A F20A
RIGU F3 F2 F1 C32 F3A F2A F1A
RIGU F6 F5 F4 C33 F6A F5A F4A
RIGU F24 F22 F23 C58 F24A F22A F23A
RIGU F9 F7 F8 C40 F9A F7A F8A
RIGU F12 F11 F10 C41 F12A F11A F10A
RIGU F13 F15 F14 C48 F13A F15A F14A
RIGU F17 F18 F16 C49 F17A F18A F16A
RIGU F20 F21 F19 C57 F21A F19A F20A
L.S. 20 0 0
PLAN 20
SIZE 0.12 0.14 0.16
TEMP -123.14(12)
BOND $H
conf
list 4
fmap 2 53
acta
OMIT 0 0 -4
REM
REM
REM
WGHT 0.044300 2.571800
FVAR 0.23309
RH1 6 0.205387 -0.499640 -0.249999 11.00000 0.01844 0.03381 =
0.03009 0.00064 0.00012 -0.00001
P2 5 0.299888 -0.429506 -0.195307 11.00000 0.02351 0.02724 =
0.02818 -0.00291 0.00171 -0.00007
P1 5 0.299923 -0.569754 -0.304696 11.00000 0.02349 0.02725 =
0.02826 -0.00263 -0.00144 -0.00009
PART 1
F12 4 0.445972 -0.219790 -0.852625 10.61835 0.06334 0.03132 =
0.04944 0.01015 0.01290 -0.01597
F20 4 0.181787 -0.669791 -0.965734 10.62802 0.08466 0.03690 =
0.03943 -0.01163 -0.01982 -0.00271
F11 4 0.460319 -0.320023 -0.914634 10.61835 0.06274 0.06073 =
0.03471 0.01146 0.01826 0.01191
F3 4 0.447534 -0.778807 -0.647122 10.69571 0.06414 0.03243 =
0.05189 0.01165 -0.01140 0.01788
F6 4 0.527954 -0.644314 -0.890906 10.56251 0.04065 0.07916 =
0.04516 -0.01107 0.02013 -0.00434
F9 4 0.528078 -0.334402 -0.611190 10.46273 0.04220 0.06866 =
0.04985 0.00671 -0.01712 -0.03264
F2 4 0.458528 -0.678905 -0.584141 10.69571 0.06595 0.05860 =
0.03390 0.01113 -0.02023 -0.01059
F17 4 0.110701 -0.397075 -0.461369 10.94019 0.11476 0.05647 =
0.03185 -0.00085 0.03545 0.02590
F18 4 0.184594 -0.333576 -0.527889 10.94019 0.08041 0.04793 =
0.06007 -0.02679 0.02114 0.00348
F10 4 0.353777 -0.268929 -0.911222 10.61835 0.04678 0.05787 =
0.04102 0.02744 -0.01065 -0.00860
F21 4 0.119080 -0.603546 -1.040767 10.62802 0.08803 0.05018 =
0.02604 -0.00337 -0.01653 -0.01025
F24 4 0.078561 -0.312484 -0.842619 10.69638 0.08000 0.04902 =
0.08730 -0.00803 -0.03798 0.02833
F13 4 0.007423 -0.625675 -0.582980 10.71946 0.03521 0.06156 =
0.05969 0.01989 0.01055 -0.01147
F15 4 0.077941 -0.686544 -0.657829 10.71946 0.08149 0.04930 =
0.08522 -0.00740 0.03913 -0.02938
F19 4 0.066622 -0.652363 -0.945161 10.62802 0.06156 0.06332 =
0.07078 0.00501 -0.01385 -0.03605
PART 0
C47 1 0.197860 -0.443358 -0.633151 11.00000 0.02405 0.02600 =
0.02014 0.00154 0.00184 0.00463
AFIX 43
H47 2 0.223356 -0.398213 -0.640541 11.00000 -1.20000
AFIX 0
PART 1
F16 4 0.071960 -0.341915 -0.559115 10.94019 0.07896 0.05900 =
0.06922 0.00418 0.01062 0.04379
PART 0
C51 1 0.198022 -0.556017 -0.866852 11.00000 0.02505 0.02529 =
0.01950 0.00121 -0.00131 -0.00438
AFIX 43
H51 2 0.223674 -0.601092 -0.859481 11.00000 -1.20000
AFIX 0
PART 1
F1 4 0.353379 -0.731594 -0.590211 10.69571 0.04718 0.06006 =
0.04581 0.03157 0.01249 0.00941
F22 4 0.007289 -0.373815 -0.916434 10.69638 0.03345 0.06240 =
0.06105 0.02030 -0.01006 0.01137
PART 0
C28 1 0.396458 -0.671146 -0.698698 11.00000 0.02358 0.02164 =
0.02615 0.00486 -0.00324 -0.00145
PART 1
F23 4 0.102100 -0.319636 -0.959448 10.69638 0.05371 0.06501 =
0.09253 0.04953 0.00235 0.01210
PART 0
C27 1 0.343830 -0.615056 -0.693532 11.00000 0.02216 0.02360 =
0.01791 0.00228 0.00003 -0.00167
AFIX 43
H27 2 0.319342 -0.607246 -0.647533 11.00000 -1.20000
AFIX 0
C26 1 0.326300 -0.570211 -0.754173 11.00000 0.01924 0.01727 =
0.01747 0.00132 -0.00105 -0.00230
C29 1 0.432644 -0.684881 -0.764432 11.00000 0.02578 0.02420 =
0.03021 -0.00028 -0.00039 0.00598
AFIX 43
H29 2 0.467597 -0.723706 -0.768108 11.00000 -1.20000
AFIX 0
C31 1 0.365351 -0.584559 -0.819878 11.00000 0.02395 0.02287 =
0.01908 0.00183 0.00105 0.00242
AFIX 43
H31 2 0.356096 -0.554662 -0.862261 11.00000 -1.20000
AFIX 0
C35 1 0.365357 -0.414697 -0.679995 11.00000 0.02321 0.02352 =
0.01861 0.00122 -0.00155 -0.00200
AFIX 43
H35 2 0.356188 -0.444506 -0.637563 11.00000 -1.20000
AFIX 0
C52 1 0.144693 -0.551703 -0.922715 11.00000 0.03249 0.03780 =
0.01896 0.00027 -0.00452 -0.01341
C30 1 0.416689 -0.640425 -0.825324 11.00000 0.02540 0.02883 =
0.02448 -0.00187 0.00264 0.00376
C38 1 0.396414 -0.328103 -0.801412 11.00000 0.02382 0.02125 =
0.02563 0.00494 0.00329 0.00046
C34 1 0.326242 -0.429026 -0.745761 11.00000 0.01816 0.01831 =
0.01715 0.00111 0.00058 0.00217
C46 1 0.144706 -0.447589 -0.577356 11.00000 0.03109 0.03623 =
0.01952 0.00083 0.00472 0.01239
PART 1
F7 4 0.453140 -0.406822 -0.557680 10.46273 0.06858 0.06923 =
0.03030 0.01635 -0.02521 -0.03591
PART 0
C42 1 0.214756 -0.503696 -0.678603 11.00000 0.02023 0.02374 =
0.01512 0.00102 -0.00044 0.00277
C39 1 0.343779 -0.384173 -0.806518 11.00000 0.02336 0.02280 =
0.01849 0.00136 -0.00004 0.00138
AFIX 43
H39 2 0.319214 -0.392048 -0.852553 11.00000 -1.20000
AFIX 0
C36 1 0.416839 -0.358664 -0.674739 11.00000 0.02474 0.02900 =
0.02358 -0.00158 -0.00232 -0.00412
C56 1 0.214723 -0.495478 -0.821292 11.00000 0.01921 0.02429 =
0.01483 0.00098 0.00069 -0.00327
C37 1 0.432721 -0.314239 -0.735565 11.00000 0.02554 0.02477 =
0.02984 -0.00115 -0.00013 -0.00633
AFIX 43
H37 2 0.467650 -0.275385 -0.731833 11.00000 -1.20000
AFIX 0
C14 1 0.315182 -0.545984 -0.406996 11.00000 0.04182 0.05139 =
0.02451 -0.00488 0.00161 0.00476
PART 1
F14 4 0.102636 -0.680079 -0.541315 10.71946 0.05577 0.06518 =
0.09111 0.04948 -0.00221 -0.01259
PART 0
C41 1 0.413251 -0.283219 -0.869493 11.00000 0.03437 0.03318 =
0.03329 0.01237 0.00397 -0.00422
PART 1
F8 4 0.433268 -0.290774 -0.565762 10.46273 0.08551 0.09229 =
0.04350 -0.03333 -0.00644 0.00133
PART 0
C18 1 0.315384 -0.453288 -0.092991 11.00000 0.04163 0.05157 =
0.02640 -0.00628 0.00063 -0.00433
C53 1 0.106459 -0.487129 -0.935225 11.00000 0.02784 0.04770 =
0.02710 0.00762 -0.01153 -0.00716
AFIX 43
H53 2 0.070836 -0.484037 -0.973907 11.00000 -1.20000
AFIX 0
PART 1
F5 4 0.428704 -0.618458 -0.954023 10.56251 0.07767 0.10487 =
0.02089 0.00830 0.01347 0.05382
PART 0
C10 1 0.298407 -0.672963 -0.290634 11.00000 0.03580 0.02747 =
0.05472 -0.00603 -0.00358 -0.00180
C22 1 0.298524 -0.326299 -0.209472 11.00000 0.03755 0.02778 =
0.05169 -0.00578 0.00383 0.00199
C55 1 0.174589 -0.431069 -0.834918 11.00000 0.02420 0.02859 =
0.02243 0.00155 -0.00367 0.00229
AFIX 43
H55 2 0.184298 -0.388778 -0.805320 11.00000 -1.20000
AFIX 0
C44 1 0.121075 -0.572702 -0.610240 11.00000 0.02612 0.03957 =
0.02905 0.00600 0.00650 -0.00208
C45 1 0.106455 -0.512167 -0.564815 11.00000 0.02828 0.04837 =
0.02649 0.00817 0.01190 0.00682
AFIX 43
H45 2 0.070984 -0.515296 -0.526124 11.00000 -1.20000
AFIX 0
C32 1 0.413168 -0.716092 -0.630397 11.00000 0.03482 0.03344 =
0.03350 0.01163 -0.00348 0.00449
C1 1 0.111146 -0.544823 -0.311705 11.00000 0.02107 0.07564 =
0.04271 -0.00925 -0.00224 -0.00813
AFIX 13
H1 2 0.116413 -0.574964 -0.357963 11.00000 -1.20000
AFIX 0
C43 1 0.174620 -0.568273 -0.665032 11.00000 0.02573 0.02716 =
0.02209 0.00030 0.00334 -0.00254
AFIX 43
H43 2 0.184452 -0.610621 -0.694470 11.00000 -1.20000
AFIX 0
C4 1 0.110955 -0.454563 -0.188409 11.00000 0.02073 0.07125 =
0.04344 -0.00807 0.00502 0.00833
AFIX 13
H4 2 0.116295 -0.424447 -0.142124 11.00000 -1.20000
AFIX 0
C54 1 0.121173 -0.426570 -0.889966 11.00000 0.02625 0.04024 =
0.02955 0.00730 -0.00673 0.00326
C57 1 0.127844 -0.618655 -0.968581 11.00000 0.05839 0.04448 =
0.03030 0.00010 -0.01863 -0.02148
PART 1
F4 4 0.448701 -0.726506 -0.917625 10.56251 0.07849 0.06132 =
0.04400 -0.02568 0.00610 0.01864
PART 0
C49 1 0.127613 -0.380876 -0.531522 11.00000 0.06044 0.04140 =
0.03165 0.00055 0.01989 0.02296
C2 1 0.111071 -0.574704 -0.241375 11.00000 0.02789 0.06039 =
0.05695 0.00890 -0.00697 -0.01661
AFIX 13
H2 2 0.116505 -0.628727 -0.231785 11.00000 -1.20000
AFIX 0
C21 1 0.396216 -0.449870 -0.069923 11.00000 0.05254 0.06985 =
0.04282 -0.00100 -0.01358 -0.00557
AFIX 137
H21A 2 0.424633 -0.485412 -0.099254 11.00000 -1.50000
H21B 2 0.400698 -0.461906 -0.016967 11.00000 -1.50000
H21C 2 0.415296 -0.400095 -0.078717 11.00000 -1.50000
AFIX 0
C12 1 0.291108 -0.686490 -0.206831 11.00000 0.06061 0.02928 =
0.05688 0.00833 -0.00413 -0.00579
AFIX 137
H12A 2 0.336744 -0.671526 -0.181766 11.00000 -1.50000
H12B 2 0.282139 -0.738997 -0.197794 11.00000 -1.50000
H12C 2 0.249774 -0.657599 -0.187341 11.00000 -1.50000
AFIX 0
C15 1 0.396436 -0.549323 -0.430018 11.00000 0.05184 0.06937 =
0.04340 0.00069 0.01339 0.00565
AFIX 137
H15A 2 0.424713 -0.513173 -0.401210 11.00000 -1.50000
H15B 2 0.400741 -0.538083 -0.483151 11.00000 -1.50000
H15C 2 0.415813 -0.598849 -0.420414 11.00000 -1.50000
AFIX 0
C7 1 0.005206 -0.499606 -0.250035 11.00000 0.02133 0.11840 =
0.04250 0.00526 -0.00027 0.00231
AFIX 23
H7A 2 -0.025924 -0.458475 -0.232108 11.00000 -1.20000
H7B 2 -0.025950 -0.540749 -0.268001 11.00000 -1.20000
AFIX 0
C33 1 0.456617 -0.653865 -0.897411 11.00000 0.04172 0.05180 =
0.02739 -0.00243 0.00615 0.01901
C5 1 0.111028 -0.424623 -0.258575 11.00000 0.02794 0.05841 =
0.05796 0.00630 0.00490 0.01641
AFIX 13
H5 2 0.116422 -0.370577 -0.268034 11.00000 -1.20000
AFIX 0
C25 1 0.369378 -0.289523 -0.180399 11.00000 0.04673 0.03222 =
0.08346 -0.01129 -0.00072 -0.00644
AFIX 137
H25A 2 0.371052 -0.293235 -0.126040 11.00000 -1.50000
H25B 2 0.369782 -0.237485 -0.195014 11.00000 -1.50000
H25C 2 0.412431 -0.314423 -0.201624 11.00000 -1.50000
AFIX 0
B1 3 0.270447 -0.499632 -0.750017 11.00000 0.01937 0.01754 =
0.01444 0.00027 -0.00010 0.00004
C58 1 0.078651 -0.356731 -0.901368 11.00000 0.04589 0.05348 =
0.04868 0.01092 -0.01359 0.01527
C6 1 0.063361 -0.475091 -0.307198 11.00000 0.02636 0.09257 =
0.03670 0.01120 -0.00024 0.01001
AFIX 13
H6 2 0.044790 -0.454248 -0.355197 11.00000 -1.20000
AFIX 0
C8 1 0.386597 -0.541179 -0.258537 11.00000 0.02195 0.03081 =
0.03501 -0.00043 -0.00117 0.00201
AFIX 23
H8A 2 0.392646 -0.569091 -0.211604 11.00000 -1.20000
H8B 2 0.428881 -0.553046 -0.291164 11.00000 -1.20000
AFIX 0
C13 1 0.369463 -0.709803 -0.319135 11.00000 0.04794 0.03137 =
0.08538 -0.01136 0.00006 0.00571
AFIX 137
H13A 2 0.371455 -0.705992 -0.373469 11.00000 -1.50000
H13B 2 0.369726 -0.761868 -0.304615 11.00000 -1.50000
H13C 2 0.412420 -0.684990 -0.297454 11.00000 -1.50000
AFIX 0
C9 1 0.386564 -0.458134 -0.241511 11.00000 0.02162 0.03053 =
0.03461 -0.00089 0.00133 -0.00323
AFIX 23
H9A 2 0.392441 -0.430227 -0.288449 11.00000 -1.20000
H9B 2 0.428945 -0.446219 -0.208877 11.00000 -1.20000
AFIX 0
C48 1 0.078627 -0.642560 -0.598635 11.00000 0.04686 0.05343 =
0.04767 0.01088 0.01582 -0.01439
C40 1 0.456399 -0.345510 -0.602490 11.00000 0.03911 0.05234 =
0.02699 -0.00327 -0.00631 -0.01712
C11 1 0.231403 -0.709310 -0.328270 11.00000 0.05131 0.03869 =
0.07220 -0.01122 -0.00310 -0.01475
AFIX 137
H11A 2 0.186471 -0.682665 -0.314421 11.00000 -1.50000
H11B 2 0.227531 -0.760708 -0.311970 11.00000 -1.50000
H11C 2 0.237519 -0.707713 -0.382396 11.00000 -1.50000
AFIX 0
C19 1 0.289435 -0.533512 -0.081696 11.00000 0.07084 0.05864 =
0.03060 0.00727 0.00108 -0.01079
AFIX 137
H19A 2 0.237492 -0.537811 -0.096178 11.00000 -1.50000
H19B 2 0.295025 -0.547128 -0.029237 11.00000 -1.50000
H19C 2 0.319309 -0.566542 -0.112500 11.00000 -1.50000
AFIX 0
C24 1 0.231476 -0.289831 -0.171285 11.00000 0.05052 0.03964 =
0.06967 -0.01095 0.00447 0.01221
AFIX 137
H24A 2 0.186495 -0.316742 -0.184598 11.00000 -1.50000
H24B 2 0.227193 -0.238543 -0.187847 11.00000 -1.50000
H24C 2 0.238241 -0.291093 -0.117205 11.00000 -1.50000
AFIX 0
C23 1 0.291065 -0.312803 -0.293047 11.00000 0.06174 0.03024 =
0.05659 0.00777 0.00385 0.00678
AFIX 137
H23A 2 0.336686 -0.327666 -0.318036 11.00000 -1.50000
H23B 2 0.281972 -0.260312 -0.302086 11.00000 -1.50000
H23C 2 0.249755 -0.341774 -0.312617 11.00000 -1.50000
AFIX 0
C3 1 0.063416 -0.524064 -0.192881 11.00000 0.02655 0.09482 =
0.03496 0.01125 0.00065 -0.00921
AFIX 13
H3 2 0.044942 -0.544824 -0.144875 11.00000 -1.20000
AFIX 0
C20 1 0.269441 -0.405073 -0.040904 11.00000 0.06916 0.07947 =
0.03368 -0.01326 0.00461 0.00756
AFIX 137
H20A 2 0.290620 -0.355412 -0.038996 11.00000 -1.50000
H20B 2 0.269598 -0.426573 0.009103 11.00000 -1.50000
H20C 2 0.218666 -0.402338 -0.059444 11.00000 -1.50000
AFIX 0
C16 1 0.269557 -0.594128 -0.459201 11.00000 0.06747 0.07872 =
0.03588 -0.01166 -0.00736 -0.00815
AFIX 137
H16A 2 0.290056 -0.644101 -0.459988 11.00000 -1.50000
H16B 2 0.270846 -0.573324 -0.509488 11.00000 -1.50000
H16C 2 0.218451 -0.595898 -0.441676 11.00000 -1.50000
AFIX 0
C17 1 0.289568 -0.466002 -0.418620 11.00000 0.07324 0.05748 =
0.03164 0.00730 -0.00116 0.00722
AFIX 137
H17A 2 0.237216 -0.461849 -0.405877 11.00000 -1.50000
H17B 2 0.296696 -0.452054 -0.470776 11.00000 -1.50000
H17C 2 0.318469 -0.433130 -0.386613 11.00000 -1.50000
AFIX 0
PART 2
F3A 4 0.462758 -0.768465 -0.639621 10.30429 0.03664 0.04801 =
0.04913 0.01744 -0.00969 0.01124
F2A 4 0.434180 -0.677020 -0.573126 10.30429 0.07534 0.05733 =
0.03337 0.01030 -0.01525 0.00318
F1A 4 0.352573 -0.752087 -0.609617 10.30429 0.04251 0.04992 =
0.04832 0.02613 0.00332 0.00045
F6A 4 0.527746 -0.665865 -0.888591 10.43749 0.04423 0.06711 =
0.05180 0.00651 0.01603 0.03469
F5A 4 0.453782 -0.591425 -0.941475 10.43749 0.07255 0.06957 =
0.02958 0.01589 0.02722 0.03615
F4A 4 0.432425 -0.708050 -0.934529 10.43749 0.08864 0.09416 =
0.04511 -0.03445 0.00981 -0.00141
F24A 4 0.065463 -0.324768 -0.833434 10.30362 0.05238 0.04739 =
0.05120 -0.00723 -0.00414 0.02759
F22A 4 0.017146 -0.357227 -0.934605 10.30362 0.06444 0.07632 =
0.06220 0.01332 -0.03412 0.02753
F23A 4 0.124677 -0.303777 -0.932404 10.30362 0.08159 0.05731 =
0.08316 0.02540 -0.00216 0.02707
F9A 4 0.527801 -0.355801 -0.609005 10.53727 0.04061 0.08332 =
0.04469 -0.01297 -0.01851 0.00355
F7A 4 0.427787 -0.379746 -0.545645 10.53727 0.07151 0.09794 =
0.02385 0.00685 -0.01222 -0.04560
F8A 4 0.448990 -0.272487 -0.583027 10.53727 0.07809 0.06154 =
0.04153 -0.02306 -0.00676 -0.02039
F12A 4 0.461777 -0.229681 -0.859328 10.38165 0.03739 0.04841 =
0.05234 0.01911 0.00888 -0.01345
F11A 4 0.438270 -0.322193 -0.925470 10.38165 0.07492 0.05544 =
0.02914 0.00769 0.01658 -0.00343
F10A 4 0.351963 -0.249478 -0.892478 10.38165 0.04497 0.05437 =
0.04482 0.02803 -0.00217 0.00336
F13A 4 0.064926 -0.673770 -0.666913 10.28054 0.05795 0.04513 =
0.05275 -0.00952 0.00557 -0.02898
F15A 4 0.125102 -0.696388 -0.568516 10.28054 0.07898 0.05763 =
0.08159 0.02313 -0.00039 -0.02876
F14A 4 0.017252 -0.643358 -0.564983 10.28054 0.06732 0.07745 =
0.06320 0.01430 0.03374 -0.02521
F17A 4 0.149258 -0.397911 -0.463307 10.05981 0.08305 0.04339 =
0.03354 -0.01452 0.01916 0.02236
F18A 4 0.158223 -0.318507 -0.549331 10.05981 0.07672 0.04360 =
0.05338 -0.00381 0.02087 0.02116
F16A 4 0.055037 -0.373156 -0.527874 10.05981 0.07263 0.05699 =
0.05263 -0.00016 0.02362 0.03326
F21A 4 0.096447 -0.598669 -1.033180 10.37198 0.08487 0.06441 =
0.03600 -0.00173 -0.03497 -0.02409
F19A 4 0.080436 -0.663441 -0.936272 10.37198 0.07851 0.03964 =
0.05520 0.01536 -0.02584 -0.02784
F20A 4 0.187240 -0.658151 -0.983299 10.37198 0.08516 0.04961 =
0.03851 -0.01563 -0.00792 -0.01077
HKLF 4
REM 312amm19.res in C2
REM wR2 = 0.0711, GooF = S = 1.049, Restrained GooF = 1.113 for all data
REM R1 = 0.0269 for 12088 Fo > 4sig(Fo) and 0.0273 for all 12248 data
REM 994 parameters refined using 1093 restraints
END
WGHT 0.0443 2.5709
REM Highest difference peak 0.539, deepest hole -0.228, 1-sigma level 0.051
Q1 1 0.1960 -0.4993 -0.2007 11.00000 0.05 0.54
Q2 1 0.2152 -0.4981 -0.2970 11.00000 0.05 0.43
Q3 1 0.2055 -0.4474 -0.2506 11.00000 0.05 0.35
Q4 1 0.2473 -0.4997 -0.2464 11.00000 0.05 0.34
Q5 1 0.1959 -0.5474 -0.2473 11.00000 0.05 0.32
Q6 1 0.4001 -0.6708 -0.9555 11.00000 0.05 0.32
Q7 1 0.5060 -0.4011 -0.5906 11.00000 0.05 0.31
Q8 1 0.3380 -0.5126 -0.0837 11.00000 0.05 0.30
Q9 1 0.2269 -0.5688 -0.4426 11.00000 0.05 0.30
Q10 1 0.5000 -0.5948 -0.9146 11.00000 0.05 0.30
Q11 1 0.0598 -0.4049 -0.4851 11.00000 0.05 0.29
Q12 1 0.3954 -0.3272 -0.5478 11.00000 0.05 0.29
Q13 1 0.2166 -0.4996 -0.4025 11.00000 0.05 0.29
Q14 1 0.3731 -0.6042 -0.4437 11.00000 0.05 0.27
Q15 1 0.1597 -0.5006 -0.2532 11.00000 0.05 0.27
Q16 1 0.3388 -0.4866 -0.4152 11.00000 0.05 0.27
Q17 1 0.1191 -0.3017 -0.8832 11.00000 0.05 0.27
Q18 1 0.1640 -0.2953 -0.9328 11.00000 0.05 0.26
Q19 1 0.2470 -0.5012 -0.7096 11.00000 0.05 0.26
Q20 1 0.2318 -0.4412 -0.0601 11.00000 0.05 0.26
;
_shelx_res_checksum 40934
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;
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3 -17 10 185.66 9.18
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3 -17 9 18.44 3.14
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3 -17 7 19.77 3.18
3 -17 6 61.95 5.99
3 -17 6 58.88 5.90
3 -17 6 60.48 5.60
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3 -17 5 159.30 9.59
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3 -17 -2 10.58 2.24
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9 -9 13 180.27 11.01
9 -9 13 192.25 7.39
9 -9 12 54.29 4.43
9 -9 12 40.60 5.06
9 -9 12 45.18 5.53
9 -9 12 54.48 5.74
9 -9 12 48.02 5.90
9 -9 11 132.31 9.06
9 -9 11 141.92 9.77
9 -9 11 158.86 10.06
9 -9 11 136.27 9.82
9 -9 10 63.48 6.21
9 -9 10 69.58 6.80
9 -9 10 81.80 7.29
9 -9 10 73.87 7.17
9 -9 9 672.47 30.63
9 -9 9 693.14 19.61
9 -9 9 764.46 37.29
9 -9 9 717.79 20.82
9 -9 9 711.80 20.98
9 -9 9 735.03 21.77
9 -9 9 736.14 31.11
9 -9 8 351.29 14.18
9 -9 8 356.62 14.52
9 -9 8 333.33 12.97
9 -9 8 361.29 25.20
9 -9 8 349.03 14.01
9 -9 8 359.93 23.18
9 -9 8 320.79 21.05
9 -9 7 327.20 11.98
9 -9 7 391.95 25.27
9 -9 7 371.11 13.65
9 -9 7 335.81 21.08
9 -9 7 365.24 13.84
9 -9 7 393.37 14.64
9 -9 6 80.37 8.64
9 -9 6 91.32 6.01
9 -9 6 88.03 11.74
9 -9 6 104.63 6.75
9 -9 6 94.66 6.65
9 -9 6 96.42 11.01
9 -9 6 98.79 7.11
9 -9 5 506.46 13.21
9 -9 5 505.35 27.27
9 -9 5 533.50 14.26
9 -9 5 570.07 15.39
9 -9 5 568.19 16.11
9 -9 4 258.80 19.25
9 -9 4 269.62 9.83
9 -9 4 259.61 10.50
9 -9 3 183.60 15.90
9 -9 2 114.72 12.44
9 -9 1 205.91 16.78
9 -9 0 989.82 36.92
9 -9 -1 128.36 13.44
9 -9 -2 157.36 14.81
9 -9 -2 156.44 15.64
9 -9 -3 122.48 13.36
9 -9 -3 143.06 14.85
9 -9 -4 265.73 10.02
9 -9 -4 269.03 20.26
9 -9 -4 243.04 20.21
9 -9 -4 280.01 9.67
9 -9 -5 519.64 13.89
9 -9 -5 479.46 13.84
9 -9 -5 457.71 26.97
9 -9 -5 472.57 28.67
9 -9 -6 71.25 5.52
9 -9 -6 58.62 10.05
9 -9 -6 77.10 12.59
9 -9 -6 77.95 5.62
9 -9 -7 314.28 11.70
9 -9 -7 285.82 22.67
9 -9 -7 288.61 24.43
-9 -9 7 296.86 10.12
9 -9 -8 260.44 22.06
9 -9 -8 278.73 25.05
9 -9 -8 307.73 11.94
-9 -9 8 271.90 10.75
9 -9 -9 772.36 17.73
9 -9 -9 691.41 35.95
9 -9 -9 789.98 42.25
-9 -9 9 757.25 19.48
9 -9 -10 57.89 4.88
-9 -9 10 57.91 5.79
9 -9 -11 153.00 7.80
-9 -9 11 156.72 9.51
9 -9 -12 53.82 4.54
-9 -9 12 62.69 6.05
9 -9 -13 182.80 7.80
-9 -9 13 202.50 9.12
-9 -9 13 192.38 10.25
9 -9 -14 52.94 3.86
9 -9 -14 48.80 3.89
-9 -9 14 54.94 4.65
9 -9 -14 57.76 5.00
-9 -9 14 51.41 5.12
9 -9 -15 85.43 4.55
9 -9 -15 89.10 5.82
9 -9 -15 91.87 5.59
-9 -9 15 80.63 5.10
-9 -9 15 83.30 6.02
9 -9 -16 87.25 3.48
9 -9 -16 99.51 5.66
9 -9 -16 99.49 5.11
-9 -9 16 92.40 4.91
-9 -9 16 97.80 5.92
-9 -9 17 37.09 2.61
9 -9 -17 35.98 2.62
9 -9 -17 35.94 3.06
-9 -9 17 38.12 3.27
9 -9 -18 32.79 1.82
9 -9 -18 38.36 2.68
-9 -9 18 36.51 2.68
-9 -9 18 33.91 2.52
9 -11 17 56.76 2.94
9 -11 17 59.37 2.86
9 -11 16 98.74 4.76
9 -11 16 98.04 4.86
9 -11 16 101.83 5.56
9 -11 15 155.98 7.20
9 -11 15 164.14 7.22
9 -11 15 171.22 8.39
9 -11 14 60.58 5.15
9 -11 14 61.74 5.47
9 -11 14 64.35 5.22
9 -11 14 58.16 3.42
9 -11 14 63.82 5.81
9 -11 13 49.38 3.75
9 -11 13 47.34 5.00
9 -11 13 48.29 5.24
9 -11 13 52.71 5.18
9 -11 13 47.14 5.34
9 -11 12 128.20 6.75
9 -11 12 101.45 7.48
9 -11 12 124.92 8.90
9 -11 12 137.64 8.89
9 -11 12 115.77 8.76
9 -11 11 53.90 5.65
9 -11 11 65.72 6.70
9 -11 11 68.59 6.57
9 -11 11 75.17 7.30
9 -11 10 405.58 15.52
9 -11 10 437.50 17.01
9 -11 10 463.86 18.09
9 -11 10 417.62 16.32
9 -11 9 152.96 9.36
9 -11 9 169.51 10.43
9 -11 9 173.47 10.82
9 -11 9 159.94 10.07
9 -11 8 147.14 9.05
9 -11 8 170.85 10.13
9 -11 8 157.61 9.78
9 -11 8 179.02 10.80
9 -11 7 125.92 8.47
9 -11 7 125.35 8.08
9 -11 7 140.01 8.98
9 -11 7 121.46 14.11
9 -11 7 127.50 8.84
9 -11 6 246.66 11.08
9 -11 6 248.19 20.32
9 -11 6 265.45 11.91
9 -11 6 277.92 12.62
9 -11 5 85.91 6.45
9 -11 5 88.58 12.41
9 -11 5 91.76 6.89
9 -11 4 249.09 10.67
9 -11 4 231.20 10.34
9 -11 4 251.78 10.64
9 -11 4 266.72 20.95
9 -11 3 880.94 19.44
9 -11 3 860.73 19.49
9 -11 3 856.98 37.36
9 -11 2 412.39 12.74
9 -11 2 371.13 13.78
9 -11 2 412.77 13.23
9 -11 2 364.62 24.38
9 -11 1 383.57 14.08
9 -11 1 411.06 12.98
9 -11 1 368.64 24.50
9 -11 1 391.35 12.21
9 -11 0 364.54 10.77
9 -11 0 414.65 14.32
9 -11 0 355.21 24.11
9 -11 0 384.35 11.62
9 -11 -1 396.27 13.78
9 -11 -1 368.08 24.84
9 -11 -1 392.00 11.52
9 -11 -1 358.69 10.05
9 -11 -2 317.42 12.16
9 -11 -2 289.35 21.71
9 -11 -2 336.91 10.26
9 -11 -2 308.34 8.93
9 -11 -3 723.90 18.30
9 -11 -3 703.48 34.47
9 -11 -3 728.73 17.17
9 -11 -4 215.85 9.95
9 -11 -4 224.53 19.78
9 -11 -4 213.94 20.03
9 -11 -4 233.86 9.92
-9 -11 4 223.07 8.24
9 -11 -5 30.81 3.82
9 -11 -5 30.37 7.71
9 -11 -5 24.68 6.78
9 -11 -5 33.80 3.85
9 -11 -6 243.73 10.53
9 -11 -6 254.67 21.94
9 -11 -6 266.92 23.00
9 -11 -6 258.62 10.78
9 -11 -7 86.93 12.79
9 -11 -7 103.72 13.64
9 -11 -7 109.40 7.16
-9 -11 7 98.82 6.25
9 -11 -8 178.65 9.37
-9 -11 8 158.24 8.69
9 -11 -9 166.60 8.19
-9 -11 9 171.50 9.44
9 -11 -10 432.97 13.00
-9 -11 10 433.16 15.33
9 -11 -11 112.44 6.45
-9 -11 11 127.51 8.44
9 -11 -12 132.75 6.59
-9 -11 12 148.88 8.85
9 -11 -13 38.10 3.17
-9 -11 13 35.34 4.34
9 -11 -14 79.56 3.83
9 -11 -14 78.06 4.41
-9 -11 14 76.91 5.69
9 -11 -14 78.62 5.28
9 -11 -15 182.79 7.35
9 -11 -15 176.75 5.07
9 -11 -15 191.27 7.06
-9 -11 15 182.90 7.90
-9 -11 15 179.60 7.87
9 -11 -16 117.06 5.25
9 -11 -16 112.54 4.59
-9 -11 16 115.50 5.51
9 -11 -17 63.08 3.33
9 -11 -17 60.46 2.47
-9 -11 17 60.81 3.35
9 -13 16 34.89 2.14
9 -13 15 126.09 4.96
9 -13 15 134.13 5.42
9 -13 14 63.43 4.51
9 -13 14 65.70 4.33
9 -13 14 61.04 3.05
9 -13 13 42.89 3.19
9 -13 13 37.57 3.96
9 -13 13 43.22 4.07
9 -13 12 159.01 7.02
9 -13 12 149.45 8.52
9 -13 12 164.32 8.67
9 -13 11 35.23 4.37
9 -13 11 42.55 4.83
9 -13 10 41.89 5.01
9 -13 10 49.39 5.39
9 -13 9 28.55 4.11
9 -13 9 28.96 4.28
9 -13 8 227.94 11.58
9 -13 8 228.39 11.79
9 -13 7 73.89 6.65
9 -13 7 65.63 6.10
9 -13 6 353.87 13.90
9 -13 6 368.56 14.39
9 -13 5 102.39 7.31
9 -13 5 112.65 7.53
9 -13 5 112.98 7.79
9 -13 4 128.48 8.76
9 -13 4 142.94 8.56
9 -13 4 136.03 8.30
9 -13 3 355.80 13.30
9 -13 3 353.19 12.93
9 -13 2 171.77 10.44
9 -13 2 182.06 9.49
9 -13 2 165.75 16.22
9 -13 2 184.84 9.16
9 -13 1 249.23 10.09
9 -13 1 270.27 12.61
9 -13 1 236.84 19.77
9 -13 1 260.52 10.81
9 -13 0 20.87 2.82
9 -13 0 22.36 3.73
9 -13 0 26.12 6.48
9 -13 0 26.00 3.43
9 -13 -1 262.79 12.01
9 -13 -1 244.31 8.79
9 -13 -2 179.77 9.69
9 -13 -2 164.08 16.83
9 -13 -2 174.66 6.96
9 -13 -3 363.68 13.56
9 -13 -3 349.78 12.50
9 -13 -4 115.77 7.60
9 -13 -4 115.25 7.24
-9 -13 4 110.37 6.20
9 -13 -5 117.15 7.58
9 -13 -5 125.35 7.61
-9 -13 5 117.78 7.00
9 -13 -6 334.53 12.68
9 -13 -6 359.06 13.17
-9 -13 6 346.63 12.67
-9 -13 7 67.99 5.77
9 -13 -7 70.80 5.77
9 -13 -8 270.19 11.47
-9 -13 8 255.22 11.62
9 -13 -9 29.16 3.43
-9 -13 9 27.98 4.00
9 -13 -10 71.96 5.04
-9 -13 10 68.78 6.17
9 -13 -11 55.70 4.16
-9 -13 11 49.29 5.01
9 -13 -12 167.24 6.28
-9 -13 12 171.68 8.87
9 -13 -13 39.33 3.38
-9 -13 13 39.61 3.95
9 -13 -13 38.24 3.02
9 -13 -14 76.28 3.23
9 -13 -14 73.05 4.25
9 -13 -14 80.45 4.38
-9 -13 14 79.07 4.94
-9 -13 15 142.36 5.44
9 -13 -15 142.71 5.22
9 -13 -15 149.90 4.99
-9 -13 15 135.89 5.57
-9 -13 16 37.33 2.29
9 -13 -16 36.80 2.16
-9 -13 16 33.28 2.28
9 -15 14 27.45 2.16
9 -15 14 28.18 1.91
9 -15 13 19.91 2.34
9 -15 13 17.18 1.96
9 -15 13 17.07 1.66
9 -15 12 30.79 3.35
9 -15 12 30.05 2.63
9 -15 12 31.47 3.20
9 -15 11 30.32 3.08
9 -15 11 31.98 3.74
9 -15 11 28.27 3.38
9 -15 10 97.71 6.14
9 -15 10 87.23 6.32
9 -15 10 78.39 6.09
-9 -15 -10 98.09 4.80
9 -15 9 43.13 3.60
9 -15 9 46.70 4.91
-9 -15 -9 57.33 4.28
9 -15 9 39.97 4.66
9 -15 8 101.41 5.97
9 -15 8 97.88 7.31
9 -15 8 93.62 7.07
9 -15 7 21.43 2.70
9 -15 7 21.56 3.63
9 -15 7 24.31 3.76
9 -15 6 100.34 6.06
9 -15 6 110.52 6.46
9 -15 6 94.35 7.15
9 -15 6 95.83 7.25
9 -15 5 212.92 8.78
9 -15 5 230.37 10.87
9 -15 5 215.22 10.72
9 -15 5 210.67 10.54
9 -15 4 87.04 5.58
9 -15 4 93.08 7.43
9 -15 4 97.60 7.21
9 -15 4 85.30 6.54
9 -15 3 138.71 6.99
9 -15 3 112.13 8.71
9 -15 3 129.09 7.91
9 -15 2 211.91 9.70
9 -15 2 201.88 8.37
9 -15 2 216.80 11.93
9 -15 2 209.91 9.97
9 -15 1 178.79 8.36
9 -15 1 190.48 11.12
-9 -15 -1 172.82 7.36
9 -15 0 190.03 10.83
9 -15 0 171.45 7.79
9 -15 -1 184.30 10.40
9 -15 -1 165.61 8.62
9 -15 -1 182.42 7.36
9 -15 -2 187.56 10.23
9 -15 -2 166.69 8.73
9 -15 -3 127.37 8.18
9 -15 -3 130.11 7.71
9 -15 -4 76.77 6.28
9 -15 -4 75.71 5.97
-9 -15 4 80.07 5.23
9 -15 -5 180.40 9.41
9 -15 -5 190.71 9.41
-9 -15 5 188.49 8.57
9 -15 -6 113.28 7.24
-9 -15 6 107.69 6.77
9 -15 -7 41.36 4.43
-9 -15 7 38.03 4.10
9 -15 -8 95.48 5.69
-9 -15 8 93.16 5.51
9 -15 -8 91.72 6.32
-9 -15 8 102.99 6.93
9 -15 -9 61.85 4.37
-9 -15 9 65.67 4.72
-9 -15 9 59.45 5.22
9 -15 -10 84.00 4.54
-9 -15 10 86.52 5.39
-9 -15 10 83.54 5.97
9 -15 -11 12.56 1.43
-9 -15 11 14.20 2.08
-9 -15 11 13.02 2.36
-9 -15 12 36.27 3.05
9 -15 -12 38.75 2.92
-9 -15 12 37.13 3.42
9 -15 -13 6.46 0.79
-9 -15 13 5.65 0.97
-9 -15 13 6.60 1.33
9 -15 -13 6.55 1.11
-9 -15 13 7.49 1.51
-9 -15 14 36.56 2.06
9 -15 -14 33.86 1.92
9 -15 -14 34.75 2.00
-9 -15 14 35.27 2.39
9 -17 11 14.68 1.63
-9 -17 -10 18.24 1.47
9 -17 10 21.73 2.27
9 -17 9 2.00 0.91
-9 -17 -9 1.63 0.77
9 -17 9 0.32 1.04
9 -17 8 31.18 3.60
-9 -17 -8 35.65 3.14
9 -17 8 34.13 3.62
9 -17 7 82.42 5.87
9 -17 7 78.14 4.23
9 -17 7 94.01 6.29
9 -17 6 62.92 5.32
9 -17 6 68.91 4.28
9 -17 6 81.80 4.69
9 -17 6 74.18 5.78
9 -17 5 107.81 5.61
9 -17 5 112.29 6.56
9 -17 4 111.42 7.28
9 -17 4 94.76 6.33
9 -17 3 104.98 7.51
9 -17 3 113.75 6.64
9 -17 2 14.67 3.21
9 -17 2 14.12 2.30
9 -17 1 169.44 9.91
-9 -17 -1 162.71 6.42
9 -17 1 162.78 7.00
9 -17 0 124.69 8.31
-9 -17 0 112.42 5.90
9 -17 0 101.80 6.38
9 -17 0 111.45 5.20
9 -17 -1 147.34 8.86
-9 -17 1 134.54 6.68
9 -17 -2 26.28 3.80
-9 -17 2 21.10 2.79
9 -17 -2 23.22 3.07
9 -17 -3 139.63 8.17
-9 -17 3 133.30 7.30
9 -17 -3 133.28 7.23
9 -17 -4 117.26 7.20
-9 -17 4 114.26 6.89
9 -17 -4 117.18 6.77
-9 -17 5 116.13 5.60
9 -17 -5 118.94 6.71
9 -17 -6 75.61 5.28
-9 -17 6 71.87 4.65
9 -17 -7 75.34 4.33
-9 -17 7 73.40 4.80
9 -17 -8 49.24 3.15
-9 -17 8 55.62 4.38
-9 -17 8 44.95 3.67
9 -17 -9 0.80 0.48
-9 -17 9 1.38 0.95
-9 -17 9 2.77 1.14
-9 -17 10 27.02 2.48
-9 -17 10 26.39 2.53
9 -17 -11 9.74 0.98
-9 -17 11 13.50 1.50
-9 -17 11 11.88 1.51
9 -17 -12 43.04 2.13
9 -19 8 6.62 1.08
9 -19 8 4.96 1.06
9 -19 7 106.78 4.62
-9 -19 -7 99.85 3.81
9 -19 7 92.65 4.39
-9 -19 -6 24.96 2.27
9 -19 6 20.65 2.25
9 -19 6 21.45 2.21
9 -19 5 95.92 4.00
9 -19 5 86.29 4.80
9 -19 5 88.82 4.53
9 -19 4 14.73 2.10
9 -19 4 16.07 1.87
9 -19 4 14.39 2.17
9 -19 3 62.72 4.57
9 -19 3 50.22 3.81
9 -19 3 55.41 3.28
9 -19 2 53.58 4.50
9 -19 2 50.85 3.88
9 -19 2 53.81 2.84
9 -19 1 10.17 2.05
9 -19 1 8.16 1.62
9 -19 0 32.43 3.65
-9 -19 0 31.71 2.27
9 -19 0 29.60 3.00
9 -19 -1 5.95 1.65
-9 -19 1 7.82 1.36
9 -19 -1 5.77 1.33
9 -19 -2 67.06 4.28
9 -19 -2 71.16 5.06
-9 -19 2 64.63 3.92
-9 -19 3 71.91 4.28
9 -19 -3 69.06 4.31
-9 -19 4 26.02 2.61
9 -19 -4 22.46 2.46
9 -19 -5 105.71 4.03
-9 -19 5 109.57 5.31
9 -19 -6 42.53 2.11
-9 -19 6 45.21 3.31
-9 -19 7 117.80 4.93
-9 -19 8 19.00 1.85
10 20 4 17.38 1.56
10 20 3 8.36 1.25
10 20 2 40.98 2.63
10 20 1 11.10 1.45
10 20 1 11.13 1.32
-10 20 0 14.06 1.50
10 20 0 15.21 1.71
10 20 0 15.46 1.52
-10 20 1 9.54 1.17
10 20 -1 9.49 1.31
10 20 -1 9.58 1.23
-10 20 2 24.99 1.75
10 20 -2 28.11 2.10
10 20 -3 5.52 0.97
10 20 -4 15.04 1.41
-10 20 4 15.07 1.55
10 18 9 19.08 1.70
10 18 9 20.05 1.70
10 18 8 97.08 4.31
10 18 8 108.16 4.50
10 18 7 24.94 2.40
10 18 7 29.15 2.67
10 18 6 36.93 2.23
10 18 6 41.70 3.31
10 18 6 45.91 3.60
10 18 5 137.05 6.08
10 18 5 119.32 4.34
10 18 5 137.80 6.54
10 18 4 90.34 5.07
10 18 4 95.03 4.78
10 18 4 92.60 5.59
10 18 3 32.62 3.17
10 18 3 33.64 2.91
10 18 3 30.06 3.25
10 18 2 66.02 4.20
10 18 2 59.59 4.35
10 18 1 18.56 2.29
10 18 1 17.10 2.21
10 18 0 78.95 4.74
10 18 0 81.64 4.15
10 18 -1 19.74 2.53
10 18 -1 15.05 2.12
10 18 -2 75.93 4.83
10 18 -2 69.43 4.77
10 18 -2 66.95 4.44
10 18 -3 35.12 3.34
10 18 -3 28.64 3.02
-10 18 4 99.43 4.70
10 18 -4 103.73 5.70
10 18 -4 102.24 5.41
-10 18 5 121.70 4.88
10 18 -5 126.46 6.21
10 18 -5 132.63 5.75
-10 18 6 55.47 2.99
10 18 -6 59.64 4.16
-10 18 7 19.90 1.53
10 18 -7 21.23 2.39
-10 18 7 19.96 2.22
10 18 -8 91.73 4.54
-10 18 8 92.86 4.34
10 18 -9 25.04 2.17
-10 18 9 23.12 1.95
10 16 12 25.51 1.96
10 16 12 22.53 1.44
10 16 11 23.41 2.21
-10 16 -11 23.91 1.83
10 16 11 22.49 2.02
10 16 10 39.30 3.25
-10 16 -10 37.69 2.71
10 16 10 35.76 2.10
10 16 10 39.65 2.95
10 16 9 22.13 2.63
-10 16 -9 24.46 2.39
10 16 9 22.10 1.95
10 16 9 25.94 2.78
10 16 8 30.26 3.36
-10 16 -8 34.84 3.02
10 16 8 30.77 2.59
10 16 8 37.14 3.52
10 16 7 29.73 3.35
-10 16 -7 31.69 2.96
10 16 7 27.19 2.65
10 16 7 31.93 3.61
10 16 6 32.76 3.59
-10 16 -6 39.97 3.28
10 16 6 37.64 3.44
10 16 6 37.81 4.08
10 16 5 16.32 2.57
10 16 5 18.83 2.57
10 16 5 19.89 3.47
10 16 4 37.61 3.13
10 16 4 40.07 3.63
10 16 4 41.32 4.70
10 16 3 23.45 2.67
10 16 3 23.80 2.94
10 16 3 22.62 3.56
10 16 2 255.51 9.03
10 16 2 249.06 9.29
10 16 2 234.94 10.84
10 16 1 25.41 3.07
10 16 1 21.05 2.71
10 16 1 24.99 3.48
10 16 0 544.37 14.31
10 16 0 529.38 14.23
10 16 0 528.76 14.31
10 16 -1 16.86 2.72
10 16 -1 18.36 2.83
10 16 -1 14.42 2.61
10 16 -1 15.80 2.32
10 16 -2 253.06 10.15
10 16 -2 241.27 10.11
10 16 -2 249.04 10.48
10 16 -3 14.95 2.63
10 16 -3 19.00 2.97
10 16 -3 20.61 3.08
10 16 -4 61.20 5.23
10 16 -4 51.08 4.61
10 16 -4 54.05 4.98
-10 16 5 10.60 1.84
10 16 -5 11.05 2.35
10 16 -5 9.79 2.16
10 16 -5 8.09 2.11
-10 16 6 39.96 3.32
10 16 -6 38.58 4.25
10 16 -6 43.49 3.82
10 16 -6 37.00 4.20
-10 16 7 32.83 2.90
10 16 -7 34.27 3.97
10 16 -7 31.30 2.98
10 16 -7 31.58 3.82
10 16 -7 34.56 3.01
-10 16 8 12.94 1.67
10 16 -8 10.36 2.28
10 16 -8 10.50 1.56
10 16 -8 10.38 2.05
10 16 -8 13.75 1.97
10 16 -9 26.13 3.18
10 16 -9 29.21 2.23
10 16 -9 28.04 3.04
-10 16 9 29.37 3.08
10 16 -9 28.32 2.58
10 16 -10 44.87 3.82
10 16 -10 46.94 3.44
-10 16 10 42.11 3.45
10 16 -10 43.67 2.98
10 16 -11 26.70 2.59
10 16 -11 30.32 2.34
-10 16 11 30.99 2.58
10 16 -11 30.06 2.11
10 16 -12 43.41 2.79
-10 16 12 42.10 2.53
10 14 14 116.22 4.32
-10 14 -14 103.40 3.52
10 14 13 26.82 2.55
-10 14 -13 23.71 2.19
10 14 13 22.46 1.72
10 14 12 59.57 4.30
-10 14 -12 58.67 4.10
10 14 12 55.11 2.90
10 14 12 57.71 3.52
10 14 11 31.16 3.48
-10 14 -11 27.28 3.14
10 14 11 28.38 2.43
10 14 11 28.65 2.80
10 14 10 10.68 2.28
-10 14 -10 12.10 2.39
10 14 10 7.42 1.36
10 14 10 6.01 1.61
10 14 9 21.56 3.09
-10 14 -9 19.69 2.87
10 14 9 18.55 2.47
10 14 9 19.88 2.84
10 14 8 75.46 5.90
-10 14 -8 73.86 5.61
10 14 8 76.92 5.83
10 14 8 67.84 4.67
10 14 7 40.43 4.38
-10 14 -7 41.66 4.19
10 14 7 40.55 4.59
10 14 6 127.88 7.69
-10 14 -6 134.08 6.98
10 14 6 128.90 6.85
10 14 6 133.99 8.58
10 14 5 122.98 5.57
10 14 5 124.92 6.84
10 14 5 132.57 8.93
10 14 4 99.44 5.40
10 14 4 109.01 6.31
10 14 4 106.87 8.31
10 14 3 155.58 7.06
10 14 3 166.88 7.92
10 14 3 150.54 10.00
10 14 2 463.62 12.64
10 14 2 418.40 16.08
10 14 1 16.02 2.52
10 14 1 12.25 2.25
10 14 1 12.13 2.35
10 14 1 14.69 3.05
10 14 0 246.45 10.22
10 14 0 239.42 9.90
10 14 0 245.65 10.46
10 14 0 234.73 10.78
10 14 -1 15.80 2.58
10 14 -1 14.58 2.47
10 14 -1 14.50 2.67
10 14 -1 16.53 2.59
10 14 -2 426.18 13.73
10 14 -2 408.89 13.81
10 14 -2 412.42 13.88
10 14 -3 137.94 7.97
10 14 -3 123.22 7.57
10 14 -3 135.48 8.15
10 14 -4 105.96 7.28
10 14 -4 98.51 6.85
10 14 -4 108.29 7.36
10 14 -5 108.19 7.42
10 14 -5 117.28 7.21
10 14 -5 101.95 7.29
-10 14 6 87.76 5.29
10 14 -6 83.37 6.71
10 14 -6 89.99 6.14
10 14 -6 86.94 6.76
10 14 -6 83.91 5.49
-10 14 7 45.52 3.71
10 14 -7 49.44 5.27
10 14 -7 40.36 3.77
10 14 -7 42.39 4.84
10 14 -7 48.53 4.41
-10 14 8 97.98 5.20
10 14 -8 98.99 7.37
10 14 -8 100.34 5.54
10 14 -8 85.89 6.61
10 14 -8 93.18 6.21
10 14 -9 17.27 3.24
10 14 -9 17.20 2.14
10 14 -9 16.06 2.86
10 14 -9 18.04 2.83
10 14 -10 9.27 2.06
10 14 -10 11.33 1.63
10 14 -10 10.43 2.25
-10 14 10 11.11 2.33
10 14 -10 10.30 2.11
10 14 -11 26.18 3.44
10 14 -11 26.38 3.16
-10 14 11 31.34 3.43
10 14 -11 25.87 3.05
10 14 -12 60.30 4.64
10 14 -12 63.35 4.06
-10 14 12 65.13 4.33
10 14 -12 60.85 4.17
10 14 -13 35.72 3.18
10 14 -13 37.61 2.93
10 14 -13 33.46 2.52
-10 14 13 35.33 2.79
10 14 -14 100.47 4.35
-10 14 14 98.06 3.70
10 14 -14 91.66 2.93
10 14 -14 100.75 3.76
10 12 16 109.26 3.84
10 12 16 109.13 3.49
10 12 15 34.57 2.69
-10 12 -15 35.37 2.75
10 12 14 58.99 4.12
-10 12 -14 54.65 4.02
10 12 14 47.67 2.59
10 12 14 54.01 2.63
10 12 13 39.51 3.81
-10 12 -13 36.70 3.63
10 12 13 37.97 2.75
10 12 13 37.15 2.88
10 12 12 11.37 2.30
-10 12 -12 11.36 2.34
10 12 12 14.40 2.00
10 12 12 12.28 1.91
10 12 11 119.31 7.46
-10 12 -11 104.84 6.94
10 12 11 111.20 5.71
10 12 11 110.54 6.15
10 12 10 58.25 5.50
-10 12 -10 55.16 5.22
10 12 10 55.47 4.29
10 12 10 49.90 4.43
10 12 9 57.21 5.45
-10 12 -9 60.72 5.49
10 12 9 59.31 4.52
10 12 9 50.89 4.75
10 12 8 11.11 2.64
-10 12 -8 10.25 2.49
10 12 8 9.30 1.75
10 12 8 10.11 2.36
10 12 7 20.57 3.18
-10 12 -7 15.99 2.59
10 12 7 22.55 2.93
10 12 7 18.72 3.08
10 12 6 24.99 3.60
-10 12 -6 14.91 2.37
10 12 6 21.40 2.71
10 12 6 19.92 3.59
10 12 5 135.83 5.73
10 12 5 128.79 6.45
10 12 5 143.06 9.41
10 12 4 573.62 12.62
10 12 4 603.09 14.10
10 12 4 603.98 19.94
10 12 3 51.25 4.08
10 12 3 47.19 3.82
10 12 3 48.54 4.36
10 12 3 37.32 5.06
10 12 2 474.86 12.64
10 12 2 419.40 11.97
10 12 2 441.14 13.51
-10 12 -2 425.34 21.00
10 12 1 191.98 8.33
10 12 1 191.01 8.86
-10 12 -1 181.05 14.66
10 12 1 198.94 8.79
10 12 1 166.95 9.91
10 12 0 408.69 12.28
10 12 0 390.36 12.19
10 12 0 384.65 12.84
10 12 0 372.68 13.53
-10 12 0 379.19 22.44
10 12 0 339.33 23.74
10 12 -1 203.55 8.41
10 12 -1 193.24 8.74
10 12 -1 198.38 8.93
10 12 -1 203.15 9.36
10 12 -1 185.51 17.21
10 12 -1 182.60 16.95
-10 12 1 185.26 16.66
10 12 -2 450.29 12.08
10 12 -2 436.29 13.67
-10 12 2 433.63 26.48
10 12 -2 442.33 13.94
10 12 -2 418.46 25.84
10 12 -2 387.34 24.05
10 12 -3 65.28 5.38
10 12 -3 52.01 4.94
-10 12 3 45.24 8.93
10 12 -3 59.81 9.17
10 12 -3 65.73 10.50
10 12 -4 583.90 16.78
10 12 -4 596.17 16.79
10 12 -5 114.02 7.59
10 12 -5 106.86 7.46
10 12 -6 6.73 1.63
10 12 -6 8.68 1.74
10 12 -6 9.65 2.39
10 12 -7 29.73 4.15
10 12 -7 37.09 4.10
10 12 -7 32.29 4.22
10 12 -8 20.16 3.39
10 12 -8 21.32 3.23
10 12 -8 19.53 3.40
10 12 -9 60.41 6.03
10 12 -9 59.54 5.42
10 12 -9 54.47 5.45
10 12 -10 84.42 7.19
10 12 -10 87.83 4.78
10 12 -10 76.08 6.20
-10 12 10 88.27 6.42
10 12 -10 84.52 6.54
10 12 -11 104.90 7.62
10 12 -11 108.34 4.68
-10 12 11 103.01 6.68
10 12 -11 101.51 6.91
10 12 -11 104.71 6.82
10 12 -12 24.95 3.64
10 12 -12 27.58 3.48
10 12 -12 29.38 3.45
-10 12 12 28.85 3.44
10 12 -13 27.86 3.47
-10 12 13 31.65 3.16
10 12 -13 26.35 3.11
10 12 -14 54.73 4.28
-10 12 14 58.18 3.77
10 12 -14 49.43 3.17
10 12 -14 60.06 4.14
10 12 -15 26.19 1.80
10 12 -15 33.76 2.88
10 12 -15 30.29 2.22
-10 12 15 29.91 2.23
10 12 -15 31.77 2.63
10 12 -16 94.96 3.87
10 12 -16 90.67 3.47
10 10 17 19.00 1.79
-10 10 -17 19.52 1.78
10 10 17 17.29 1.39
10 10 17 19.86 1.75
10 10 16 16.94 2.09
-10 10 -16 15.17 2.00
10 10 16 12.00 1.76
10 10 16 16.47 1.95
10 10 15 34.30 3.28
10 10 15 34.94 3.29
10 10 15 32.02 2.28
10 10 14 122.31 6.84
10 10 14 114.04 4.98
10 10 14 127.37 4.83
10 10 13 245.66 10.36
10 10 13 231.75 7.81
10 10 13 226.80 7.81
10 10 12 160.82 8.92
10 10 12 137.47 8.29
10 10 12 149.94 6.65
10 10 12 146.02 6.88
10 10 11 176.33 9.58
10 10 11 183.31 7.63
10 10 11 167.13 7.79
10 10 10 209.86 10.48
10 10 10 197.28 8.08
10 10 10 183.00 9.47
10 10 10 188.62 8.71
10 10 9 38.13 4.56
10 10 9 38.61 4.35
10 10 9 33.92 3.90
10 10 8 399.11 13.90
10 10 8 352.98 12.99
10 10 7 227.90 10.22
10 10 7 216.78 19.37
10 10 7 219.86 10.66
10 10 6 497.22 16.55
10 10 6 476.43 14.26
10 10 6 493.72 28.60
10 10 5 375.04 15.09
10 10 5 318.02 22.06
10 10 4 361.55 10.35
10 10 4 325.64 21.46
10 10 4 361.99 15.23
10 10 3 289.16 10.43
10 10 3 260.25 12.87
10 10 3 283.41 9.36
10 10 3 272.27 19.25
-10 10 -3 282.70 16.47
10 10 2 84.78 5.46
10 10 2 75.53 6.75
-10 10 -2 85.45 9.80
10 10 2 91.73 5.43
10 10 1 33.04 3.37
10 10 1 39.21 3.62
-10 10 -1 31.76 6.21
10 10 1 28.43 3.87
10 10 0 138.32 6.63
10 10 0 150.72 6.80
10 10 0 147.73 7.22
-10 10 0 144.31 14.06
10 10 0 146.92 14.78
10 10 0 142.45 7.81
10 10 -1 20.96 2.70
10 10 -1 23.18 2.66
10 10 -1 21.25 2.52
-10 10 1 18.99 5.56
10 10 -1 13.09 4.63
10 10 -1 25.86 3.05
10 10 -2 92.68 5.24
10 10 -2 95.66 5.65
-10 10 2 115.67 13.68
10 10 -2 99.57 12.60
10 10 -2 90.45 11.44
10 10 -2 99.16 5.85
10 10 -3 275.53 9.02
10 10 -3 276.32 8.98
10 10 -3 281.17 10.20
-10 10 3 268.67 21.70
10 10 -3 283.06 21.93
10 10 -3 274.40 20.27
10 10 -3 292.39 10.63
10 10 -4 206.27 17.54
10 10 -4 206.54 7.81
10 10 -4 221.70 9.45
10 10 -4 218.89 8.29
-10 10 4 206.74 19.35
10 10 -4 223.37 9.87
10 10 -5 355.65 22.61
10 10 -5 362.32 12.99
-10 10 5 357.18 25.23
10 10 -5 373.66 13.46
10 10 -6 496.05 15.79
-10 10 6 540.23 30.43
10 10 -6 493.27 25.89
10 10 -6 485.19 15.74
10 10 -7 230.48 11.19
-10 10 7 213.65 18.02
10 10 -7 239.49 19.87
10 10 -7 211.60 16.12
10 10 -7 228.75 9.51
10 10 -7 222.42 10.94
10 10 -8 353.00 12.82
10 10 -8 318.07 13.27
10 10 -9 44.30 4.83
10 10 -9 43.30 5.05
10 10 -10 180.91 9.97
10 10 -10 187.50 10.03
10 10 -11 161.49 9.35
-10 10 11 161.58 8.58
10 10 -11 169.35 9.15
-10 10 12 119.19 7.09
10 10 -12 112.70 7.53
10 10 -12 113.49 7.09
10 10 -13 221.39 10.10
10 10 -13 215.18 9.03
-10 10 13 220.16 9.06
10 10 -14 106.23 6.85
-10 10 14 115.34 5.93
10 10 -14 110.19 6.65
10 10 -14 105.34 5.65
10 10 -15 29.95 3.35
-10 10 15 33.55 2.82
10 10 -15 31.49 3.26
10 10 -15 34.26 2.90
10 10 -16 16.55 2.12
10 10 -16 18.00 2.15
10 10 -17 19.03 1.87
10 10 -17 18.89 1.81
10 8 18 3.80 0.98
10 8 18 4.47 0.97
10 8 17 37.68 2.98
10 8 17 38.79 3.21
10 8 17 36.25 2.87
10 8 16 27.88 3.04
10 8 16 24.96 3.07
10 8 16 27.12 2.87
10 8 15 48.34 4.33
10 8 15 39.26 2.95
10 8 15 43.40 4.43
10 8 14 112.22 7.06
10 8 14 103.70 5.22
10 8 14 101.17 7.40
10 8 13 5.81 2.00
10 8 13 7.88 2.58
10 8 13 6.77 1.29
10 8 13 8.30 1.59
10 8 12 1062.07 23.51
10 8 12 1014.85 17.58
10 8 12 1001.16 18.41
10 8 11 21.08 3.49
10 8 11 19.68 3.85
10 8 11 19.43 2.77
10 8 10 764.49 19.88
10 8 10 716.79 16.86
10 8 9 194.64 9.90
10 8 9 185.60 20.42
10 8 9 187.40 10.13
10 8 9 183.78 8.75
10 8 8 402.56 10.86
10 8 8 392.33 13.55
10 8 8 369.28 13.07
10 8 8 369.70 12.94
10 8 7 971.06 15.84
10 8 7 948.59 20.11
10 8 7 930.83 14.82
10 8 7 945.42 43.97
10 8 7 960.90 21.66
10 8 7 900.08 18.55
10 8 6 673.09 15.91
10 8 6 631.42 12.18
10 8 6 667.69 34.88
10 8 6 630.85 14.65
10 8 6 680.62 12.80
10 8 5 359.15 11.51
10 8 5 339.48 10.11
10 8 5 341.00 13.63
10 8 4 280.92 9.70
10 8 4 240.12 19.23
-10 8 -4 269.09 14.68
10 8 4 275.05 9.34
10 8 4 284.66 12.47
-10 8 -3 228.05 14.47
10 8 3 229.67 18.08
-10 8 -2 109.98 10.53
10 8 2 118.36 12.77
-10 8 -1 9.38 3.76
10 8 1 16.12 5.58
-10 8 0 37.19 6.86
10 8 0 55.37 9.33
10 8 0 44.31 7.86
10 8 -1 2.15 1.10
10 8 -1 2.18 2.04
-10 8 2 221.77 18.48
10 8 -2 237.75 19.84
10 8 -2 198.71 16.55
-10 8 3 222.62 18.90
10 8 -3 224.71 8.84
10 8 -3 225.73 17.63
-10 8 4 356.83 24.32
10 8 -4 314.27 10.72
10 8 -4 320.58 21.07
10 8 -4 342.21 10.97
10 8 -5 267.75 8.95
-10 8 5 300.78 22.45
10 8 -5 299.37 10.51
10 8 -5 299.57 20.63
10 8 -5 308.86 11.27
10 8 -6 549.78 13.08
-10 8 6 651.95 32.97
10 8 -6 626.25 15.10
10 8 -6 668.51 35.33
10 8 -6 615.47 29.95
10 8 -6 593.61 16.82
10 8 -7 784.31 15.95
-10 8 7 852.46 36.88
10 8 -7 910.78 17.81
10 8 -7 810.68 18.44
10 8 -7 844.47 34.61
10 8 -7 962.85 42.24
10 8 -7 865.28 17.55
10 8 -7 823.84 20.66
-10 8 8 441.63 24.98
10 8 -8 445.79 12.04
10 8 -8 395.53 13.76
10 8 -8 429.02 23.51
10 8 -8 430.64 27.52
10 8 -8 420.08 13.54
10 8 -8 410.23 14.92
10 8 -9 179.41 7.35
-10 8 9 162.11 14.25
10 8 -9 152.00 8.75
10 8 -9 191.80 17.71
10 8 -9 157.63 8.97
10 8 -9 164.38 9.43
10 8 -10 710.75 19.09
-10 8 10 765.59 18.29
10 8 -10 747.40 20.15
-10 8 11 29.76 3.62
10 8 -11 23.97 3.62
10 8 -11 31.52 4.09
-10 8 12 1019.79 21.02
10 8 -12 960.78 23.13
10 8 -12 979.24 21.63
-10 8 13 17.67 2.67
10 8 -13 13.47 2.69
10 8 -13 11.55 2.23
10 8 -14 88.63 6.45
-10 8 14 95.50 5.66
10 8 -14 90.66 5.84
-10 8 15 34.40 3.07
10 8 -15 33.38 3.71
10 8 -15 32.30 3.21
10 8 -16 34.78 3.43
10 8 -16 35.91 2.94
10 8 -17 42.98 3.34
10 8 -17 43.56 2.53
10 8 -18 0.47 0.52
10 8 -18 0.54 0.51
10 6 19 95.94 4.06
10 6 19 95.52 3.67
10 6 18 19.96 2.30
10 6 18 19.05 2.11
10 6 17 13.46 2.11
10 6 17 15.13 2.23
10 6 17 12.53 2.18
10 6 16 81.22 5.43
10 6 16 83.96 5.39
10 6 16 77.86 4.01
10 6 16 88.47 6.33
10 6 15 33.92 3.88
10 6 15 31.52 2.82
10 6 15 30.21 2.72
10 6 15 37.59 4.67
10 6 14 113.42 7.24
10 6 14 102.85 5.26
10 6 14 114.39 8.56
10 6 13 45.06 4.81
10 6 13 45.88 3.60
10 6 12 300.52 12.41
10 6 12 289.29 9.64
10 6 11 1.37 1.17
10 6 11 3.31 1.65
10 6 10 543.74 16.39
10 6 10 516.97 13.86
10 6 9 248.17 10.74
10 6 9 247.65 8.06
10 6 9 240.29 9.71
10 6 9 269.01 9.68
10 6 8 171.32 8.30
10 6 8 182.80 8.68
10 6 8 186.63 6.81
10 6 8 155.87 18.64
10 6 8 189.87 7.49
10 6 8 173.46 9.40
10 6 7 136.06 6.91
10 6 7 146.32 6.15
10 6 7 132.96 16.00
10 6 7 150.19 7.80
10 6 7 141.24 7.64
10 6 6 393.57 26.42
10 6 5 509.34 28.59
-10 6 -4 476.93 18.95
10 6 4 447.96 25.54
-10 6 -3 180.50 12.55
10 6 3 203.85 16.75
-10 6 -2 149.23 11.98
10 6 2 152.73 14.16
10 6 2 162.29 14.95
-10 6 -1 51.55 7.46
10 6 1 52.21 8.45
10 6 0 959.88 35.28
-10 6 0 990.57 34.46
10 6 -1 25.86 5.84
-10 6 1 27.67 6.50
10 6 -1 29.35 5.59
-10 6 2 204.83 17.23
10 6 -2 168.69 15.01
10 6 -2 190.25 15.44
-10 6 3 147.19 15.09
10 6 -3 139.70 14.55
10 6 -3 154.88 14.22
-10 6 4 483.47 27.71
10 6 -4 488.72 28.55
10 6 -4 482.51 25.16
-10 6 5 531.49 29.02
10 6 -5 515.70 30.04
10 6 -5 445.55 24.70
-10 6 6 488.88 27.49
10 6 -6 401.02 26.75
10 6 -6 437.43 24.69
-10 6 7 127.63 13.95
10 6 -7 138.53 6.32
10 6 -7 116.66 6.57
10 6 -7 139.40 15.85
10 6 -7 148.50 14.61
-10 6 8 232.83 18.43
10 6 -8 224.88 8.00
10 6 -8 199.68 9.15
10 6 -8 222.70 19.60
10 6 -8 216.56 9.33
10 6 -9 264.60 22.47
-10 6 9 270.92 18.84
10 6 -9 253.23 8.30
10 6 -9 246.59 10.83
10 6 -9 254.65 21.08
10 6 -9 237.71 10.47
-10 6 10 440.68 22.15
10 6 -10 439.06 10.56
10 6 -10 466.06 15.00
-10 6 10 452.70 12.54
10 6 -10 447.71 27.92
10 6 -10 427.02 15.04
10 6 -10 501.02 30.19
10 6 -11 6.73 1.26
-10 6 11 9.06 1.94
10 6 -11 6.95 2.16
10 6 -11 4.23 1.85
10 6 -12 301.88 12.02
-10 6 12 323.37 10.99
10 6 -12 317.84 13.36
-10 6 13 55.37 4.32
10 6 -13 54.75 5.08
10 6 -13 58.50 5.64
10 6 -14 132.31 8.18
10 6 -14 137.01 7.74
-10 6 14 150.25 6.77
10 6 -15 48.36 4.68
10 6 -15 44.31 4.14
-10 6 15 44.52 3.37
10 6 -15 41.77 3.82
10 6 -16 67.39 5.12
10 6 -16 61.67 4.27
10 6 -17 12.81 1.64
10 6 -17 12.25 2.17
10 6 -18 18.19 2.19
10 6 -18 17.10 1.36
10 6 -19 101.09 4.03
10 4 19 31.49 2.64
10 4 19 36.28 2.66
10 4 18 28.41 3.06
10 4 18 27.93 2.76
10 4 17 1.84 1.10
10 4 17 0.22 0.98
10 4 17 1.25 1.21
10 4 17 3.47 1.05
10 4 16 417.58 12.57
10 4 16 393.78 12.21
10 4 16 401.60 10.17
10 4 16 390.13 14.20
10 4 15 52.61 4.84
10 4 15 44.35 5.27
10 4 15 43.29 4.25
10 4 15 40.76 3.42
10 4 14 217.83 9.98
10 4 13 56.61 5.18
10 4 12 201.23 9.78
10 4 12 187.98 7.31
10 4 11 377.01 11.05
10 4 11 345.91 28.33
10 4 11 355.90 10.47
10 4 10 554.96 15.79
10 4 10 590.87 13.43
10 4 10 477.09 33.84
10 4 10 520.45 12.94
10 4 10 552.95 12.83
10 4 10 599.50 15.67
10 4 9 182.36 8.53
10 4 9 209.02 7.71
10 4 9 164.29 19.68
10 4 9 201.24 8.12
10 4 9 195.94 7.57
10 4 9 230.34 9.04
10 4 8 345.43 10.93
10 4 8 380.67 28.27
10 4 8 379.56 11.25
10 4 8 385.85 10.71
10 4 7 449.01 29.11
10 4 6 497.15 28.72
10 4 6 426.45 21.45
10 4 5 169.09 15.87
10 4 5 144.41 13.20
-10 4 -4 787.63 23.65
10 4 4 797.31 33.13
-10 4 -3 79.49 7.97
10 4 3 71.49 9.64
10 4 3 69.68 9.26
-10 4 -2 669.23 24.33
10 4 2 656.62 28.94
10 4 2 678.07 28.89
-10 4 -1 119.16 11.03
10 4 1 96.51 10.94
-10 4 0 264.61 17.42
10 4 0 246.25 17.14
-10 4 1 86.32 10.45
10 4 -1 107.26 9.24
10 4 -1 104.79 11.23
10 4 -2 666.53 28.08
-10 4 2 602.86 29.04
10 4 -2 667.20 20.38
10 4 -2 646.44 25.96
-10 4 3 66.46 9.94
10 4 -3 56.22 8.38
10 4 -3 67.28 9.02
10 4 -3 68.23 7.64
-10 4 4 758.33 33.69
10 4 -4 753.61 30.63
10 4 -4 768.95 29.56
-10 4 5 146.94 14.81
10 4 -5 132.10 14.34
10 4 -5 154.75 14.28
10 4 -5 136.69 14.00
-10 4 6 546.21 28.28
10 4 -6 539.31 29.41
10 4 -6 556.01 27.47
10 4 -6 487.21 27.94
-10 4 7 448.85 25.01
10 4 -7 445.44 27.45
10 4 -7 366.16 25.78
-10 4 8 293.97 20.05
10 4 -8 313.97 10.74
10 4 -8 288.72 11.72
10 4 -8 287.27 10.27
10 4 -8 319.06 23.25
10 4 -8 310.35 24.52
-10 4 9 247.61 17.88
10 4 -9 225.47 7.35
10 4 -9 230.10 9.76
10 4 -9 203.51 10.33
10 4 -9 270.55 21.78
10 4 -9 229.51 21.61
-10 4 10 517.36 24.38
10 4 -10 522.52 17.20
10 4 -10 519.78 10.95
10 4 -10 533.41 15.36
10 4 -10 547.23 30.93
10 4 -10 567.78 33.71
10 4 -11 414.05 9.55
10 4 -11 464.76 14.33
10 4 -11 441.41 27.85
10 4 -11 461.08 29.71
10 4 -12 189.65 9.26
10 4 -13 51.16 4.82
10 4 -14 198.49 9.26
10 4 -15 47.40 4.43
10 4 -15 53.16 5.09
10 4 -16 358.97 11.53
10 4 -16 385.50 12.83
10 4 -17 0.84 1.00
10 4 -17 2.09 1.36
10 4 -17 1.19 0.66
10 4 -18 24.89 2.77
10 4 -18 24.19 2.00
10 4 -19 35.65 2.75
10 2 20 63.08 2.71
10 2 20 65.06 2.69
10 2 19 2.36 0.87
10 2 19 2.71 1.02
10 2 19 2.37 0.69
10 2 18 217.86 8.36
10 2 18 227.69 8.14
10 2 18 225.49 6.11
10 2 17 15.12 2.90
10 2 17 16.34 2.37
10 2 17 13.18 1.85
10 2 16 221.92 9.19
10 2 16 221.30 9.41
10 2 16 218.21 8.02
10 2 16 232.57 10.99
10 2 15 75.38 5.67
10 2 15 86.03 7.32
10 2 15 80.22 5.90
10 2 15 81.85 5.19
10 2 14 262.56 10.69
10 2 14 244.81 10.50
10 2 14 260.15 9.35
10 2 13 22.59 3.18
10 2 13 23.95 3.47
10 2 12 723.22 17.73
10 2 12 669.48 34.86
10 2 11 51.02 4.69
10 2 11 45.68 4.25
10 2 11 54.43 10.41
10 2 11 44.48 3.48
10 2 11 49.29 3.82
10 2 10 210.15 9.04
10 2 10 226.19 8.96
10 2 10 208.86 21.85
10 2 10 206.94 7.63
10 2 10 224.61 9.77
10 2 10 205.78 7.91
10 2 9 50.50 4.15
10 2 9 57.59 4.36
10 2 9 45.49 10.24
10 2 9 49.97 3.79
10 2 9 46.77 3.79
10 2 9 56.84 4.57
10 2 8 254.53 22.22
10 2 7 472.94 28.43
10 2 6 1275.98 44.42
10 2 5 13.63 4.03
10 2 5 23.60 5.80
10 2 5 23.79 5.77
10 2 5 21.00 4.35
10 2 4 201.33 14.58
-10 2 -4 235.93 12.62
10 2 4 250.02 18.13
10 2 4 244.34 18.73
10 2 4 255.37 19.02
-10 2 -3 329.16 16.13
10 2 3 351.82 19.03
10 2 3 328.42 20.20
10 2 3 358.73 22.24
10 2 3 304.94 18.25
10 2 3 356.03 21.87
-10 2 -2 885.41 28.14
10 2 2 937.57 30.43
10 2 2 945.66 35.40
10 2 2 883.97 31.20
10 2 2 951.61 35.17
-10 2 -1 494.42 22.56
10 2 1 482.34 21.44
10 2 1 485.01 24.06
10 2 1 473.97 23.06
10 2 1 470.85 23.54
10 2 0 3997.06 61.26
10 2 0 4373.65 67.80
10 2 0 4143.03 67.98
10 2 0 4311.75 67.01
-10 2 0 3969.65 67.69
10 2 -1 412.60 19.41
10 2 -1 429.99 22.06
10 2 -1 433.33 15.37
10 2 -2 1076.84 30.74
10 2 -2 942.88 26.01
10 2 -2 920.24 28.48
10 2 -2 1033.98 34.40
10 2 -3 293.00 15.76
10 2 -3 290.25 13.25
10 2 -3 275.50 17.11
10 2 -3 304.03 18.78
10 2 -3 292.48 15.91
10 2 -4 384.01 17.03
10 2 -4 332.29 20.30
10 2 -4 410.01 22.28
10 2 -4 400.24 20.70
-10 2 4 422.91 24.78
-10 2 5 27.64 6.48
10 2 -5 14.53 4.82
10 2 -5 23.09 5.47
10 2 -6 1022.63 39.84
10 2 -6 1095.02 41.06
-10 2 7 422.98 23.84
10 2 -7 448.50 27.06
10 2 -7 382.58 25.50
-10 2 8 268.34 18.86
10 2 -8 276.47 21.38
10 2 -8 263.66 22.27
10 2 -9 44.37 3.77
-10 2 9 40.79 7.44
10 2 -9 46.90 4.07
10 2 -9 42.83 3.96
10 2 -9 50.62 4.99
10 2 -9 57.61 9.95
10 2 -9 36.77 8.60
10 2 -10 196.66 8.63
-10 2 10 197.32 15.14
10 2 -10 203.68 9.08
10 2 -10 194.48 10.25
10 2 -10 212.25 20.93
-10 2 11 52.22 7.17
10 2 -11 56.14 3.43
10 2 -11 60.93 5.74
10 2 -11 57.14 4.86
10 2 -11 49.11 10.31
10 2 -11 58.47 4.74
10 2 -12 703.13 19.41
10 2 -12 646.28 15.71
10 2 -12 685.25 17.04
10 2 -12 700.63 36.97
10 2 -13 26.76 3.39
10 2 -13 30.65 4.09
10 2 -14 315.02 11.66
10 2 -14 323.60 12.83
10 2 -15 93.99 6.24
10 2 -15 97.04 6.86
10 2 -16 244.00 9.64
10 2 -17 14.62 2.33
10 2 -17 13.64 2.58
10 2 -18 225.33 7.75
10 2 -18 223.45 8.52
10 2 -18 231.45 6.83
10 2 -19 7.27 1.44
10 2 -20 69.82 3.24
-10 2 20 72.02 3.30
10 0 20 98.31 3.65
10 0 20 94.86 3.72
10 0 19 20.01 2.04
10 0 19 22.82 2.33
10 0 19 22.79 2.10
10 0 18 348.59 10.24
10 0 18 348.92 10.08
10 0 18 334.97 7.85
10 0 17 4.93 1.57
10 0 17 6.98 1.94
10 0 17 6.69 1.53
10 0 16 338.54 12.87
10 0 16 327.02 11.63
10 0 16 331.73 10.29
10 0 15 11.55 2.25
10 0 15 12.75 2.75
10 0 15 9.70 2.01
10 0 15 12.99 2.17
10 0 14 183.25 8.64
10 0 14 209.99 11.87
10 0 14 184.97 9.26
10 0 14 193.18 8.44
10 0 13 115.07 6.87
10 0 13 116.00 9.06
10 0 13 110.67 7.27
10 0 12 12.62 2.32
10 0 12 16.45 2.86
10 0 11 101.40 6.11
10 0 11 100.45 6.47
10 0 11 120.18 13.71
10 0 11 113.69 5.99
10 0 10 125.86 6.43
10 0 10 147.23 7.73
10 0 10 125.06 14.96
10 0 10 133.90 6.98
10 0 10 129.55 5.82
10 0 10 130.72 6.38
10 0 9 29.58 3.41
10 0 9 19.82 5.20
10 0 9 22.35 3.64
10 0 9 20.82 5.13
10 0 9 25.54 3.23
10 0 9 29.28 6.61
10 0 8 133.16 14.90
10 0 8 145.91 13.83
10 0 8 158.27 14.29
10 0 7 0.98 4.06
10 0 7 4.71 3.15
10 0 7 2.44 1.52
10 0 6 205.65 15.14
10 0 6 207.69 16.97
10 0 6 230.23 17.70
10 0 6 204.56 16.49
-10 0 -5 42.58 5.00
10 0 5 40.31 6.38
10 0 5 28.43 6.27
10 0 5 33.44 6.66
10 0 5 37.75 7.65
10 0 4 2100.38 42.52
10 0 4 2093.36 45.73
10 0 4 2007.34 49.12
10 0 4 2223.39 56.04
10 0 4 2228.19 55.74
10 0 3 65.19 8.10
10 0 3 73.76 8.37
10 0 3 68.67 9.62
10 0 3 64.57 9.79
10 0 2 1630.16 39.11
10 0 2 1552.85 40.38
10 0 2 1689.32 48.61
10 0 2 1694.24 47.95
10 0 1 6.08 2.36
10 0 1 1.66 1.68
10 0 1 4.63 2.86
10 0 1 8.87 2.55
10 0 0 2795.85 50.00
10 0 0 3015.60 38.75
10 0 0 2775.70 56.57
10 0 0 2937.38 58.50
10 0 0 2851.21 57.07
10 0 -1 4.77 1.92
10 0 -1 6.52 2.36
10 0 -1 5.97 2.20
10 0 -1 4.01 1.17
10 0 -1 2.75 1.65
10 0 -2 1558.03 35.08
10 0 -2 1646.83 33.73
10 0 -2 1793.59 39.05
10 0 -2 1790.54 39.16
10 0 -3 58.65 6.90
10 0 -3 53.67 6.28
10 0 -3 64.03 6.76
10 0 -3 61.56 7.51
10 0 -4 2062.22 43.69
10 0 -4 2242.92 35.51
10 0 -4 2198.29 34.97
10 0 -4 1992.99 46.32
10 0 -5 36.88 6.77
10 0 -6 191.88 17.14
10 0 -7 3.46 1.25
10 0 -8 126.78 15.48
10 0 -9 21.13 2.75
-10 0 9 27.46 6.18
10 0 -9 23.42 3.15
10 0 -9 23.02 2.82
10 0 -9 17.15 5.79
10 0 -9 22.39 2.82
10 0 -10 135.47 7.17
-10 0 10 139.27 13.04
10 0 -10 140.56 7.29
10 0 -10 135.28 8.15
10 0 -10 129.89 7.13
10 0 -10 135.34 16.76
10 0 -11 107.06 6.39
10 0 -11 93.98 6.13
10 0 -11 108.76 7.50
10 0 -11 104.19 6.26
10 0 -11 104.77 15.05
10 0 -12 11.46 2.79
10 0 -12 15.35 2.57
10 0 -12 19.56 6.25
10 0 -12 14.01 2.38
10 0 -13 111.62 6.58
10 0 -13 108.79 6.81
10 0 -13 118.14 7.74
10 0 -14 193.14 9.09
10 0 -14 199.46 10.05
10 0 -14 197.74 8.67
10 0 -15 10.23 2.47
10 0 -15 10.99 2.26
10 0 -16 343.30 11.54
10 0 -16 327.34 11.98
10 0 -17 6.09 1.64
10 0 -17 8.88 1.90
10 0 -18 373.17 10.02
10 0 -19 26.04 2.26
10 0 -19 24.45 2.51
-10 0 19 26.25 2.69
10 0 -19 21.96 1.50
10 0 -20 101.51 4.05
-10 0 20 100.12 4.03
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10 -2 20 67.79 2.91
10 -2 19 4.44 1.01
10 -2 19 5.54 1.22
10 -2 18 213.97 6.84
10 -2 18 214.74 8.22
10 -2 18 205.87 7.78
10 -2 17 13.04 2.16
10 -2 16 222.44 9.68
10 -2 16 240.95 9.99
10 -2 16 228.61 8.67
10 -2 15 103.29 6.92
10 -2 15 102.76 7.24
10 -2 15 97.57 5.97
10 -2 14 327.26 13.81
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10 -2 11 50.46 5.74
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10 -2 10 179.59 10.02
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10 -2 4 416.93 17.33
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10 -10 -7 194.02 18.24
10 -10 -7 234.29 22.21
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10 -10 -9 36.63 4.01
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10 -12 14 59.96 4.32
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10 -12 14 55.79 2.76
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10 -12 13 22.34 3.01
10 -12 13 30.21 2.60
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10 -12 8 22.69 3.78
10 -12 7 30.74 4.35
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10 -12 6 13.71 2.85
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10 -12 5 112.55 7.54
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10 -12 4 586.56 16.89
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10 -12 3 57.13 5.98
10 -12 3 63.79 5.52
10 -12 3 55.62 9.12
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10 -12 2 450.91 14.38
10 -12 2 406.49 15.99
10 -12 2 462.94 14.76
10 -12 2 385.55 24.18
10 -12 2 448.44 14.11
10 -12 1 189.63 8.87
10 -12 1 204.72 11.40
10 -12 1 198.35 17.64
10 -12 1 213.61 9.57
10 -12 0 389.39 15.28
10 -12 0 360.73 23.69
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10 -12 -2 406.40 25.15
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10 -14 14 108.82 4.35
10 -14 14 104.16 4.24
10 -14 13 36.61 3.10
10 -14 13 34.92 3.02
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10 -14 12 60.27 4.62
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10 -14 11 21.61 3.06
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10 -14 7 42.14 4.97
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10 -14 6 78.38 7.02
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10 -14 4 105.40 7.30
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10 -14 3 144.08 8.68
10 -14 3 129.00 9.13
10 -14 3 141.76 8.18
10 -14 2 424.74 14.00
10 -14 2 436.90 14.12
10 -14 1 10.84 2.17
10 -14 1 9.97 2.34
10 -14 1 15.42 2.85
10 -14 0 261.52 12.99
10 -14 0 241.59 9.51
10 -14 -1 14.22 2.14
10 -14 -1 10.95 2.26
10 -14 -1 13.32 3.09
10 -14 -2 501.88 17.01
10 -14 -2 456.16 14.37
10 -14 -2 486.13 11.64
10 -14 -3 162.20 9.50
10 -14 -3 170.19 8.81
10 -14 -4 109.17 7.53
10 -14 -4 100.94 6.79
10 -14 -5 119.60 7.81
10 -14 -5 122.96 7.66
-10 -14 5 126.34 6.70
10 -14 -6 118.31 7.56
-10 -14 6 126.91 7.16
10 -14 -7 40.94 4.47
-10 -14 7 38.40 4.08
10 -14 -8 71.49 5.22
-10 -14 8 77.44 5.01
-10 -14 8 60.93 5.18
10 -14 -9 19.68 2.70
-10 -14 9 23.59 3.40
10 -14 -10 7.41 1.58
-10 -14 10 8.68 2.14
10 -14 -11 31.46 2.83
-10 -14 11 28.66 3.05
10 -14 -11 29.47 2.85
-10 -14 11 31.36 3.58
10 -14 -12 59.93 2.97
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10 -14 -12 55.65 3.55
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10 -14 -13 25.51 1.99
-10 -14 13 25.67 2.39
10 -14 -13 24.85 2.18
10 -14 -13 25.78 2.43
-10 -14 13 29.60 2.75
-10 -14 14 101.90 2.95
-10 -14 14 109.30 3.94
10 -14 -14 110.36 3.73
10 -14 -14 119.60 4.28
-10 -14 14 113.50 4.57
10 -16 12 42.68 2.71
10 -16 12 41.17 2.24
10 -16 11 30.87 2.75
10 -16 11 33.37 2.55
10 -16 10 42.49 3.76
10 -16 10 44.77 3.80
10 -16 10 42.75 3.41
10 -16 9 28.41 3.38
10 -16 9 26.26 3.15
-10 -16 -9 29.45 2.23
10 -16 9 26.16 3.07
10 -16 8 11.66 2.31
10 -16 8 10.15 2.24
10 -16 8 12.63 2.29
-10 -16 -8 12.85 1.85
10 -16 7 36.55 4.06
10 -16 7 30.11 3.79
10 -16 6 42.18 4.52
10 -16 6 36.39 4.24
10 -16 5 6.65 2.13
10 -16 5 9.12 1.92
10 -16 5 10.42 2.24
10 -16 4 63.27 5.67
10 -16 4 53.28 4.95
10 -16 4 58.65 5.27
10 -16 3 21.65 3.80
10 -16 3 18.71 3.03
10 -16 2 226.03 11.78
10 -16 2 248.71 9.69
10 -16 1 15.37 2.35
10 -16 1 16.14 3.43
-10 -16 -1 17.13 2.18
10 -16 1 17.42 2.92
-10 -16 0 536.41 12.66
10 -16 0 509.50 14.56
10 -16 0 511.93 12.46
10 -16 -1 26.44 4.15
10 -16 -1 24.09 3.29
10 -16 -1 23.70 2.41
10 -16 -2 274.64 12.22
10 -16 -2 249.30 10.12
10 -16 -3 23.37 3.60
10 -16 -3 21.19 2.95
10 -16 -4 43.82 4.65
10 -16 -4 38.88 3.96
10 -16 -5 15.94 2.61
10 -16 -6 35.43 3.94
-10 -16 6 38.06 3.34
10 -16 -7 32.40 3.19
10 -16 -7 32.23 3.58
-10 -16 7 30.90 2.99
10 -16 -8 34.78 3.07
-10 -16 8 31.83 3.21
10 -16 -9 21.64 2.19
-10 -16 9 21.43 2.67
10 -16 -10 35.86 2.23
-10 -16 10 40.11 3.27
-10 -16 11 25.25 2.21
-10 -16 11 24.64 2.29
-10 -16 12 27.46 1.85
10 -16 -12 26.15 2.02
-10 -16 12 22.38 1.77
10 -18 9 20.27 1.69
10 -18 9 25.12 2.06
10 -18 8 102.43 4.68
-10 -18 -7 23.56 1.99
10 -18 7 22.04 2.42
10 -18 6 52.10 3.83
10 -18 5 113.49 5.85
10 -18 5 114.56 5.78
10 -18 4 100.51 5.35
10 -18 4 110.89 5.74
10 -18 4 95.41 5.51
10 -18 3 36.78 3.77
10 -18 3 32.97 3.32
10 -18 3 35.49 3.15
10 -18 2 67.52 5.38
10 -18 2 68.07 4.75
10 -18 2 71.40 4.06
10 -18 1 19.36 3.13
10 -18 1 17.32 2.52
10 -18 1 18.72 1.89
10 -18 0 84.98 6.24
-10 -18 0 80.39 3.78
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-10 -18 1 17.85 2.04
10 -18 -1 21.61 3.04
10 -18 -1 17.51 2.43
-10 -18 2 63.43 4.07
10 -18 -2 66.28 4.56
-10 -18 3 32.43 3.07
10 -18 -3 34.09 3.30
-10 -18 4 94.48 5.24
10 -18 -4 93.92 5.29
-10 -18 5 134.88 6.29
10 -18 -5 132.48 6.07
10 -18 -6 43.14 2.89
-10 -18 6 44.30 3.55
10 -18 -7 22.43 1.78
-10 -18 7 26.77 2.61
-10 -18 8 122.42 5.05
-10 -18 9 23.80 1.97
10 -20 4 17.72 1.65
10 -20 3 6.64 1.25
10 -20 2 28.83 2.34
10 -20 1 10.49 1.39
10 -20 0 18.62 1.87
10 -20 -1 12.69 1.58
10 -20 -2 39.60 2.66
11 19 6 20.09 1.65
11 19 5 117.91 4.37
11 19 5 114.93 4.07
11 19 4 49.34 3.04
11 19 4 46.40 2.67
11 19 3 5.33 1.11
11 19 3 3.36 0.73
11 19 2 15.44 1.86
11 19 2 14.77 1.47
11 19 2 13.29 1.26
11 19 1 6.94 1.35
11 19 1 7.65 1.09
11 19 0 2.59 1.03
11 19 0 3.61 0.84
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11 19 -3 14.44 1.63
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11 19 -5 115.21 3.97
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11 17 10 24.24 1.85
11 17 10 24.93 1.72
11 17 9 16.62 1.86
11 17 9 14.00 1.62
11 17 8 4.11 1.10
11 17 8 2.98 0.90
11 17 7 55.27 3.79
11 17 7 63.55 4.13
11 17 6 12.66 2.05
11 17 6 14.80 2.38
11 17 5 100.82 5.53
11 17 5 99.48 5.91
11 17 4 5.66 1.41
11 17 4 8.23 1.48
11 17 4 6.76 1.69
11 17 3 174.24 7.44
11 17 3 182.33 6.75
11 17 3 163.85 7.69
11 17 2 2.12 0.87
11 17 2 3.23 1.06
11 17 2 3.61 1.34
11 17 1 252.65 8.30
11 17 1 255.77 8.26
11 17 1 256.18 8.77
11 17 0 7.39 1.71
11 17 0 5.03 1.33
11 17 0 8.99 1.52
11 17 -1 215.18 8.38
11 17 -1 209.97 7.70
11 17 -2 5.06 1.39
11 17 -2 5.76 1.77
11 17 -3 192.74 7.77
11 17 -3 174.41 7.60
-11 17 4 7.34 1.32
11 17 -4 6.66 1.67
11 17 -4 4.29 1.23
11 17 -4 6.01 1.50
-11 17 5 109.40 4.33
11 17 -5 114.77 6.06
11 17 -5 118.35 5.77
11 17 -5 119.32 6.47
-11 17 6 6.68 1.06
11 17 -6 9.74 1.81
11 17 -6 9.50 1.57
11 17 -6 8.92 2.04
11 17 -7 56.36 4.06
11 17 -7 60.71 3.37
11 17 -7 54.64 4.02
11 17 -8 5.35 1.43
11 17 -8 3.19 0.73
11 17 -8 3.26 1.11
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11 5 -8 11.72 2.01
11 5 -8 9.65 2.07
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12 18 7 13.48 1.33
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12 16 8 46.83 3.52
12 16 8 53.16 3.55
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12 16 7 10.92 1.94
12 16 6 26.95 2.95
12 16 6 28.21 3.15
12 16 5 13.02 2.06
12 16 5 13.55 2.39
12 16 4 108.71 5.93
12 16 4 118.75 4.75
12 16 4 102.57 6.33
12 16 3 27.78 3.15
12 16 3 24.67 2.30
12 16 3 29.33 2.60
12 16 3 24.54 3.11
12 16 2 112.65 5.29
12 16 2 112.80 5.17
12 16 2 106.44 6.19
12 16 1 8.80 1.70
12 16 1 8.81 1.40
12 16 1 7.78 1.64
12 16 0 104.36 5.67
12 16 0 96.64 5.05
12 16 0 107.93 5.18
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12 16 -1 14.20 2.26
12 16 -1 12.50 1.91
12 16 -2 140.25 6.48
12 16 -2 132.18 6.78
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12 16 -3 34.35 3.33
12 16 -3 30.56 3.30
12 16 -3 37.00 3.76
12 16 -4 130.48 6.42
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12 16 -4 130.35 6.95
12 16 -5 19.48 2.58
12 16 -5 20.35 2.57
12 16 -5 17.79 2.65
12 16 -6 38.03 3.51
12 16 -6 40.46 3.31
12 16 -6 38.65 3.74
12 16 -7 9.46 1.81
12 16 -7 10.13 1.63
12 16 -7 8.18 1.85
12 16 -8 38.98 3.25
12 16 -8 38.70 2.50
12 16 -8 39.69 3.37
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12 16 -9 4.97 1.15
12 16 -9 5.35 0.82
12 16 -9 4.71 1.14
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12 16 -10 17.33 1.78
12 16 -10 15.68 1.69
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12 14 12 30.01 2.43
12 14 12 27.08 1.90
12 14 11 10.81 1.74
12 14 11 9.18 1.39
12 14 10 3.51 1.18
12 14 10 5.20 1.30
12 14 9 62.29 4.71
12 14 9 59.99 4.36
12 14 8 10.16 2.16
12 14 8 11.67 2.12
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12 14 7 107.84 6.83
12 14 6 46.92 4.44
12 14 6 53.80 5.28
12 14 5 149.22 7.73
12 14 5 152.75 8.98
12 14 4 82.34 5.76
12 14 4 80.30 4.38
12 14 4 85.20 6.88
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12 14 3 8.66 1.58
12 14 3 6.03 1.73
12 14 2 272.96 9.16
12 14 2 274.84 8.82
12 14 2 253.67 11.49
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12 14 1 1.69 1.01
12 14 1 2.93 1.36
12 14 1 0.24 0.57
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12 14 0 238.36 9.46
12 14 0 246.54 9.86
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12 14 -1 0.53 1.23
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12 14 -1 1.23 0.65
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12 14 -2 241.73 10.15
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12 14 -3 6.13 1.97
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12 14 -8 10.82 2.22
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12 14 -9 61.15 3.56
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12 12 14 95.15 4.13
12 12 13 42.20 3.24
12 12 13 37.25 2.38
12 12 12 52.96 4.08
12 12 12 42.53 3.07
12 12 11 79.58 5.45
12 12 11 76.98 4.66
12 12 10 11.11 2.40
12 12 10 10.57 2.05
12 12 9 26.41 3.48
12 12 9 24.44 3.16
12 12 8 65.44 5.42
12 12 8 61.38 5.29
12 12 7 65.72 5.44
12 12 7 72.61 6.10
12 12 6 186.40 9.03
12 12 6 203.54 10.85
12 12 5 193.54 9.09
12 12 5 205.85 7.23
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12 12 4 81.20 4.87
12 12 4 76.69 7.20
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12 12 -7 49.69 5.18
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12 12 -9 39.61 3.97
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12 12 -10 33.30 3.43
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12 12 -11 81.57 3.73
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12 12 -12 50.92 3.56
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12 12 -13 42.77 2.72
12 12 -13 45.17 2.78
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12 12 -14 72.35 2.76
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12 10 15 26.18 2.33
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12 10 15 27.94 2.12
12 10 15 21.40 1.64
12 10 14 191.59 7.23
-12 10 -14 182.23 5.98
12 10 14 185.05 6.83
12 10 14 176.08 5.66
12 10 14 180.54 4.74
12 10 13 53.92 4.29
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12 10 13 46.02 3.97
12 10 13 47.83 3.28
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12 10 12 190.68 8.65
12 10 12 206.68 7.62
12 10 11 21.75 3.12
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12 10 11 18.87 2.98
12 10 11 13.51 2.13
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12 10 10 196.79 9.45
12 10 10 206.47 9.00
12 10 10 219.22 8.05
12 10 9 55.37 5.18
12 10 9 51.47 4.72
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12 10 8 19.19 3.07
12 10 8 26.85 3.45
12 10 8 22.05 3.25
12 10 7 176.26 9.00
12 10 7 181.34 7.02
12 10 7 187.36 10.15
12 10 6 139.81 7.80
12 10 6 150.75 6.77
12 10 6 153.07 9.64
12 10 5 5.80 1.87
12 10 5 7.13 1.78
12 10 5 9.04 2.71
12 10 4 358.45 15.45
12 10 4 378.56 9.86
12 10 3 21.40 2.47
12 10 3 15.34 2.70
12 10 3 24.42 6.88
12 10 3 14.26 3.26
12 10 3 18.76 2.23
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12 10 2 140.05 16.28
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12 10 2 132.13 5.87
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12 10 1 180.95 8.02
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12 10 1 149.27 16.61
12 10 1 182.10 10.01
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12 10 0 239.03 20.63
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12 10 -8 14.58 2.97
12 10 -9 46.93 5.31
12 10 -9 47.30 4.34
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12 10 -10 192.90 10.40
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12 10 -10 187.90 8.74
12 10 -10 216.09 10.52
12 10 -11 21.27 3.38
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12 10 -11 22.80 3.10
12 10 -11 28.53 3.79
12 10 -12 203.96 9.83
12 10 -12 214.36 5.87
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12 10 -12 204.43 8.65
12 10 -12 204.67 8.99
12 10 -13 53.28 4.69
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12 10 -13 55.52 4.21
12 10 -13 49.14 4.01
12 10 -14 206.54 8.18
12 10 -14 210.05 7.19
12 10 -14 198.75 7.05
12 10 -15 33.90 2.88
12 10 -15 31.22 2.61
12 10 -15 34.75 2.45
12 10 -16 42.27 2.66
12 10 -16 40.01 2.15
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12 8 17 6.83 1.05
12 8 17 6.70 1.08
12 8 16 22.37 2.20
-12 8 -16 20.90 1.75
12 8 16 22.17 2.32
12 8 16 18.90 1.65
12 8 15 5.49 1.42
12 8 15 6.99 1.72
12 8 15 5.05 1.22
12 8 14 174.17 7.60
12 8 14 154.81 8.15
12 8 14 158.45 6.42
12 8 14 161.57 5.21
12 8 13 6.32 2.02
12 8 13 9.22 2.46
12 8 13 7.34 1.52
12 8 12 359.75 12.49
12 8 12 327.37 10.10
12 8 11 38.27 4.31
12 8 11 25.77 4.04
12 8 11 36.47 3.65
12 8 10 909.29 21.03
12 8 10 916.25 19.17
12 8 10 962.41 18.27
12 8 9 189.90 9.65
12 8 9 208.59 7.88
12 8 9 191.72 10.48
12 8 9 189.88 9.25
12 8 8 548.31 15.88
12 8 8 583.37 13.60
12 8 8 548.33 16.96
12 8 8 564.23 16.57
12 8 8 578.40 14.46
12 8 7 12.04 2.44
12 8 7 12.86 2.54
12 8 7 13.35 2.17
12 8 7 9.04 2.47
12 8 7 9.38 1.81
12 8 6 174.39 8.47
12 8 6 183.68 7.77
12 8 6 196.20 18.91
12 8 6 173.15 8.35
12 8 6 200.94 10.67
12 8 6 183.87 7.69
12 8 5 63.55 5.25
12 8 5 59.35 4.70
12 8 5 56.02 4.18
12 8 5 55.60 4.31
12 8 5 53.19 4.24
12 8 5 71.24 5.42
12 8 5 55.18 10.16
12 8 5 58.97 10.22
12 8 5 60.19 6.05
12 8 5 63.33 4.41
12 8 4 711.75 16.96
12 8 4 691.56 14.95
12 8 4 695.61 33.77
12 8 4 639.42 14.37
12 8 4 702.70 17.26
12 8 4 567.94 33.04
12 8 4 621.37 19.99
12 8 4 664.83 14.12
12 8 3 19.50 2.80
12 8 3 18.04 2.45
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12 8 3 13.77 5.17
12 8 3 11.88 2.60
12 8 3 13.18 2.04
12 8 2 114.68 6.68
12 8 2 124.96 6.45
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12 8 2 121.54 7.20
12 8 2 94.92 13.34
12 8 2 106.66 7.85
12 8 2 101.62 5.56
12 8 1 67.39 5.02
12 8 1 83.19 5.42
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12 8 1 69.88 4.55
12 8 1 78.80 5.76
12 8 1 68.21 11.14
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12 8 -3 21.34 2.92
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12 8 -3 25.51 3.29
12 8 -3 15.41 4.80
12 8 -3 27.83 3.17
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12 8 -4 518.31 15.10
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12 8 -4 536.83 15.17
12 8 -5 75.34 5.30
12 8 -5 72.12 5.45
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12 8 -5 70.71 10.04
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12 8 -5 79.63 6.09
12 8 -6 179.10 8.69
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12 8 -6 197.44 9.06
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12 8 -6 164.30 15.71
12 8 -6 189.18 9.77
12 8 -7 7.61 1.92
12 8 -7 9.37 2.02
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12 8 -8 492.86 14.24
12 8 -8 497.94 16.69
12 8 -9 179.26 8.02
12 8 -9 185.97 7.78
12 8 -9 168.92 8.37
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12 8 -10 892.65 22.08
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12 8 -11 42.66 4.41
12 8 -11 47.18 4.94
12 8 -12 412.36 13.54
12 8 -12 438.71 14.07
12 8 -13 7.64 1.74
12 8 -13 11.29 2.33
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12 8 -15 2.83 0.98
12 8 -15 3.69 1.22
12 8 -16 26.21 2.54
12 8 -16 19.27 1.90
12 8 -16 21.46 2.06
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12 6 17 3.65 0.96
12 6 17 5.34 1.24
12 6 17 6.51 1.12
12 6 16 33.53 2.93
12 6 16 35.50 3.55
12 6 16 29.69 2.57
12 6 15 14.39 2.25
12 6 15 13.64 2.49
12 6 15 13.77 1.94
12 6 14 108.23 6.30
12 6 14 103.57 7.54
12 6 14 99.98 5.59
12 6 13 69.57 5.35
12 6 13 69.73 6.73
12 6 13 67.46 4.33
12 6 12 273.36 13.68
12 6 12 309.84 10.09
12 6 11 51.34 4.94
12 6 11 39.83 3.65
12 6 11 37.04 5.25
12 6 11 41.98 4.03
12 6 11 42.72 3.79
12 6 10 229.09 10.39
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12 6 10 213.45 12.08
12 6 10 214.04 9.33
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12 6 9 152.39 7.37
12 6 9 149.03 9.65
12 6 9 157.54 8.23
12 6 9 144.71 7.63
12 6 9 167.88 8.26
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12 6 8 526.13 13.49
12 6 8 482.96 32.85
12 6 8 505.19 17.16
12 6 8 554.30 12.02
12 6 8 542.12 15.86
12 6 8 540.35 14.24
12 6 7 193.16 8.81
12 6 7 179.08 7.64
12 6 7 202.10 8.34
12 6 7 205.87 20.91
12 6 7 200.97 10.11
12 6 7 213.77 7.93
12 6 7 222.00 10.66
12 6 7 216.30 8.84
12 6 6 580.85 15.24
12 6 6 471.22 12.84
12 6 6 485.53 12.60
12 6 6 521.97 13.31
12 6 6 554.70 33.38
12 6 6 512.90 15.16
12 6 6 520.24 13.27
12 6 6 538.56 17.15
12 6 6 526.42 13.40
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12 6 5 188.33 7.58
12 6 5 188.35 7.83
12 6 5 199.14 8.08
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12 6 5 197.62 8.46
12 6 5 177.72 16.68
12 6 5 199.28 10.56
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12 6 4 465.56 12.09
12 6 4 468.92 27.89
12 6 4 455.38 12.64
12 6 4 457.78 12.97
12 6 4 417.42 26.75
12 6 4 457.37 16.11
12 6 4 502.84 13.88
12 6 4 475.57 12.12
12 6 3 45.02 3.98
12 6 3 42.07 3.59
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12 6 3 42.00 3.83
12 6 3 40.54 3.82
12 6 3 44.15 8.82
12 6 3 35.01 4.26
12 6 3 47.65 4.51
12 6 3 41.03 3.56
12 6 2 313.63 10.42
12 6 2 334.50 10.17
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12 6 2 358.79 11.33
12 6 2 314.64 10.58
12 6 2 318.28 23.85
12 6 2 304.09 11.82
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12 6 1 115.06 6.40
12 6 1 121.85 6.10
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12 6 1 114.12 14.01
12 6 1 114.59 6.65
12 6 1 127.94 6.61
12 6 1 122.16 7.65
12 6 0 65.04 4.82
12 6 0 55.79 4.19
12 6 0 58.73 4.45
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12 6 -1 128.26 6.65
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12 6 -1 131.92 6.55
12 6 -1 129.05 6.23
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12 6 -1 131.99 14.35
12 6 -1 139.69 8.06
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12 6 -2 325.58 10.81
12 6 -2 335.44 9.76
12 6 -2 344.94 23.24
12 6 -2 364.78 12.83
12 6 -2 350.31 11.45
12 6 -3 29.85 3.37
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12 6 -3 29.79 3.37
12 6 -3 32.84 6.90
12 6 -3 33.90 3.67
12 6 -3 32.62 2.97
12 6 -3 31.12 3.64
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12 6 -4 342.43 11.88
12 6 -4 311.37 21.63
12 6 -4 352.93 23.35
12 6 -4 381.35 11.85
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12 6 -5 217.74 9.44
12 6 -5 216.40 9.50
12 6 -5 200.44 18.27
12 6 -5 211.53 18.50
12 6 -5 215.21 8.48
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12 6 -6 490.37 14.57
12 6 -6 538.48 14.57
12 6 -6 486.30 12.64
12 6 -6 477.91 29.19
12 6 -6 498.47 28.61
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12 6 -7 218.41 9.98
12 6 -7 238.26 9.52
12 6 -7 204.64 8.90
12 6 -7 212.26 19.30
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12 6 -8 538.17 16.00
12 6 -8 565.41 14.22
12 6 -8 487.27 15.00
12 6 -8 538.32 30.53
12 6 -9 150.50 8.32
12 6 -9 166.48 7.43
12 6 -9 157.58 8.77
12 6 -9 153.68 8.04
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12 6 -11 35.94 3.22
12 6 -11 32.62 4.03
12 6 -11 35.32 4.26
12 6 -12 354.08 10.75
12 6 -12 358.24 12.80
12 6 -12 345.40 12.95
12 6 -13 62.53 5.25
12 6 -13 60.10 5.34
12 6 -13 60.85 5.25
12 6 -14 149.74 7.54
12 6 -14 144.80 7.60
12 6 -14 150.51 7.54
12 6 -15 17.24 2.48
12 6 -15 18.05 2.41
12 6 -16 48.22 3.60
12 6 -16 50.59 3.47
12 6 -17 6.20 1.21
12 6 -17 5.39 0.96
12 6 -18 31.23 2.16
12 6 -18 28.50 2.11
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12 4 17 6.97 1.48
12 4 17 9.76 1.42
12 4 16 112.20 5.55
12 4 16 117.72 6.91
12 4 16 108.99 5.26
12 4 15 32.32 3.32
12 4 15 33.70 4.25
12 4 15 31.78 3.15
12 4 14 122.66 6.74
12 4 14 127.99 9.00
12 4 14 121.30 6.52
12 4 13 92.44 6.08
12 4 13 79.67 7.65
12 4 13 89.75 5.81
12 4 13 86.36 4.82
12 4 12 507.66 14.59
12 4 12 519.98 14.04
12 4 12 499.03 12.73
12 4 11 6.53 1.79
12 4 11 6.23 1.65
12 4 11 7.88 2.66
12 4 11 10.65 2.07
12 4 11 8.72 1.83
12 4 10 241.43 10.21
12 4 10 260.09 10.14
12 4 10 230.73 12.91
12 4 10 248.23 9.88
12 4 10 247.92 9.91
12 4 10 270.48 10.93
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12 4 9 136.55 7.33
12 4 9 124.78 17.31
12 4 9 137.94 9.60
12 4 9 139.88 7.68
12 4 9 120.59 7.04
12 4 9 136.58 7.51
12 4 8 124.59 6.50
12 4 8 104.50 6.16
12 4 8 131.83 7.00
12 4 8 111.58 15.84
12 4 8 120.89 8.58
12 4 8 113.27 5.54
12 4 8 124.42 7.39
12 4 8 119.10 6.90
12 4 8 121.48 6.81
12 4 7 11.42 2.12
12 4 7 12.73 2.04
12 4 7 11.65 2.10
12 4 7 14.35 2.17
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12 4 7 13.60 2.72
12 4 7 15.76 2.18
12 4 7 12.39 2.51
12 4 7 12.27 2.04
12 4 6 282.56 9.51
12 4 6 233.09 9.22
12 4 6 275.21 9.65
12 4 6 300.50 23.63
12 4 6 250.88 10.82
12 4 6 257.18 8.92
12 4 6 284.85 11.72
12 4 6 260.35 8.52
12 4 6 263.87 9.40
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12 4 5 11.69 2.20
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12 4 4 282.67 9.30
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12 4 4 243.92 10.77
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13 15 9 39.26 2.83
13 15 8 100.37 5.12
13 15 8 93.32 3.32
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13 15 4 34.45 2.35
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13 15 3 99.66 4.58
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13 15 2 30.30 3.18
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13 15 2 31.79 2.33
13 15 2 34.77 3.66
13 15 1 265.19 8.54
13 15 1 257.10 7.22
13 15 1 257.09 7.15
13 15 1 276.07 9.37
13 15 0 7.46 1.69
13 15 0 7.75 1.50
13 15 0 8.38 1.51
13 15 -1 245.05 7.70
13 15 -1 234.07 8.81
13 15 -1 244.77 9.08
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13 15 -7 61.68 4.24
13 15 -7 68.05 3.91
13 15 -7 59.10 4.48
13 15 -8 107.33 5.37
13 15 -8 113.79 4.48
13 15 -8 116.23 5.79
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13 15 -9 24.16 1.72
13 15 -9 25.42 2.56
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13 15 -10 92.15 4.02
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13 13 13 52.88 2.63
13 13 12 184.32 5.85
13 13 12 175.62 4.87
13 13 11 76.80 4.37
13 13 11 64.43 3.55
13 13 10 139.23 6.37
13 13 10 139.19 5.94
13 13 9 151.58 7.12
13 13 9 161.59 7.13
13 13 9 164.46 5.51
13 13 8 181.82 8.14
13 13 8 196.62 8.62
13 13 7 84.50 5.69
13 13 7 94.65 6.49
13 13 6 86.23 5.79
13 13 6 101.78 7.17
13 13 5 156.92 7.82
13 13 5 166.10 9.49
13 13 4 12.66 2.29
13 13 4 20.69 2.17
13 13 4 16.06 2.00
13 13 4 18.70 3.46
13 13 3 225.04 9.12
13 13 3 236.60 7.92
13 13 3 226.24 7.84
13 13 2 39.53 3.46
13 13 2 36.35 4.38
13 13 1 233.12 8.83
13 13 1 240.96 9.31
13 13 1 229.89 10.23
13 13 0 9.51 1.92
13 13 0 8.89 1.87
13 13 0 9.76 2.10
13 13 -1 209.50 7.66
13 13 -1 210.31 9.14
13 13 -1 205.74 8.95
13 13 -1 191.97 7.48
13 13 -2 36.12 3.47
13 13 -2 29.94 3.56
13 13 -2 34.60 3.74
13 13 -3 233.16 9.03
13 13 -3 233.02 9.95
13 13 -4 11.81 2.13
13 13 -4 15.30 2.70
13 13 -5 188.51 8.59
13 13 -5 178.05 8.96
13 13 -6 97.48 6.33
13 13 -6 100.73 6.16
13 13 -6 94.32 6.63
13 13 -7 88.12 6.05
13 13 -7 96.85 5.57
13 13 -7 90.14 6.45
13 13 -8 182.64 8.56
13 13 -8 210.05 7.55
13 13 -8 185.91 9.02
13 13 -9 171.19 8.00
13 13 -9 194.48 6.48
13 13 -9 174.40 8.32
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13 13 -10 138.15 6.76
13 13 -10 150.18 4.95
13 13 -10 151.77 7.19
-13 13 10 143.68 5.56
13 13 -11 71.85 4.47
13 13 -11 68.41 2.54
13 13 -11 75.17 4.59
-13 13 11 73.14 3.28
13 13 -12 180.85 6.17
13 13 -12 188.74 6.14
13 13 -13 59.78 2.87
13 13 -13 58.10 2.73
13 11 15 90.31 2.98
13 11 14 88.04 3.81
13 11 13 24.89 2.42
13 11 13 24.48 1.92
13 11 12 91.35 5.12
13 11 12 83.21 4.21
13 11 11 39.20 3.74
13 11 11 40.32 3.35
13 11 10 63.29 4.90
13 11 10 55.89 4.33
13 11 10 64.21 3.86
13 11 9 56.05 4.93
13 11 9 52.99 4.67
13 11 9 53.48 4.12
13 11 8 144.12 7.86
13 11 8 154.47 8.38
13 11 7 187.08 8.95
13 11 7 195.09 10.09
13 11 6 414.62 13.24
13 11 6 459.46 11.28
13 11 6 455.61 16.28
13 11 5 569.76 15.26
13 11 5 613.66 13.80
13 11 5 612.09 19.44
13 11 4 292.72 10.73
13 11 4 314.93 8.75
13 11 4 306.78 9.96
13 11 4 289.51 13.65
13 11 3 203.10 7.67
13 11 3 162.61 10.22
13 11 2 50.58 4.73
13 11 2 53.09 4.14
13 11 2 43.72 5.09
13 11 1 147.13 7.80
13 11 1 134.35 6.95
13 11 1 135.34 8.37
13 11 1 126.19 5.71
13 11 0 71.13 5.44
13 11 0 74.63 5.30
13 11 0 71.25 5.59
13 11 0 70.74 4.47
13 11 -1 168.97 8.30
13 11 -1 155.76 7.90
13 11 -1 155.02 7.34
13 11 -1 155.87 6.70
13 11 -2 26.46 3.27
13 11 -2 24.22 3.26
13 11 -2 26.08 3.14
13 11 -3 147.37 7.70
13 11 -3 152.20 7.33
13 11 -3 149.57 8.13
13 11 -3 156.66 7.66
13 11 -4 286.48 10.73
13 11 -4 291.60 10.58
13 11 -4 282.49 11.47
13 11 -4 296.63 10.83
13 11 -4 278.33 11.05
13 11 -5 515.24 13.89
13 11 -5 535.78 15.18
13 11 -5 554.56 15.25
13 11 -5 546.01 16.07
13 11 -6 421.23 11.70
13 11 -6 434.74 14.06
13 11 -6 428.52 13.67
13 11 -6 417.03 14.35
13 11 -7 176.97 8.94
13 11 -7 173.51 9.05
13 11 -7 162.01 9.04
13 11 -8 142.24 8.30
13 11 -8 128.24 7.67
13 11 -8 120.34 7.83
13 11 -9 45.92 4.82
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13 11 -9 48.20 4.85
13 11 -9 47.33 4.60
13 11 -10 63.52 5.42
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13 11 -10 70.24 5.38
13 11 -10 75.16 5.75
13 11 -11 45.87 4.40
13 11 -11 50.76 3.04
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13 11 -11 48.21 4.17
13 11 -11 56.06 4.58
13 11 -12 91.83 5.23
13 11 -12 94.50 5.71
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13 11 -12 100.48 5.51
13 11 -13 47.88 3.36
13 11 -13 47.97 3.55
13 11 -14 95.84 4.31
13 11 -14 89.94 3.98
13 11 -14 88.38 3.48
13 9 16 42.49 2.19
13 9 15 29.11 2.31
13 9 15 29.53 2.35
13 9 14 28.47 2.70
13 9 14 30.82 2.93
13 9 14 30.27 1.91
13 9 13 37.17 3.39
13 9 13 33.80 3.50
13 9 13 34.33 2.72
13 9 12 33.41 3.47
13 9 12 32.46 3.73
13 9 12 30.38 2.91
13 9 11 173.85 9.09
13 9 11 195.80 8.08
13 9 10 10.56 2.12
13 9 10 9.50 2.27
13 9 10 13.33 2.41
13 9 10 7.98 1.63
13 9 9 181.06 8.97
13 9 9 197.87 7.38
13 9 9 184.05 9.57
13 9 9 191.24 9.16
13 9 9 191.07 8.37
13 9 8 11.74 2.40
13 9 8 13.81 2.18
13 9 8 12.83 2.52
13 9 8 13.48 2.77
13 9 8 14.51 2.15
13 9 7 591.94 16.10
13 9 7 666.40 14.83
13 9 7 620.74 16.35
13 9 7 680.96 19.37
13 9 7 683.53 15.37
13 9 6 205.68 9.30
13 9 6 209.81 8.51
13 9 6 215.18 9.01
13 9 6 238.07 12.07
13 9 6 210.12 8.40
13 9 5 155.97 7.86
13 9 5 159.70 7.48
13 9 5 163.40 10.39
13 9 5 169.59 7.44
13 9 4 258.63 9.76
13 9 4 270.55 9.79
13 9 4 273.01 13.43
13 9 4 276.20 9.41
13 9 3 135.95 9.33
13 9 3 151.86 6.97
13 9 2 144.04 7.62
13 9 2 126.43 15.18
13 9 2 125.86 8.70
13 9 2 127.03 6.44
13 9 1 146.51 7.70
13 9 1 141.44 6.51
-13 9 -1 112.59 11.34
13 9 1 139.30 16.11
13 9 1 138.00 8.50
13 9 1 128.65 6.59
13 9 0 739.08 17.12
13 9 0 758.33 15.69
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13 9 0 740.57 37.00
13 9 0 724.58 17.61
13 9 -1 127.41 7.15
13 9 -1 136.88 7.48
13 9 -1 131.66 6.83
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13 9 -1 128.40 14.95
13 9 -1 128.41 6.76
13 9 -1 136.12 6.32
13 9 -2 101.14 6.43
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13 9 -2 100.97 6.58
13 9 -2 91.81 12.23
13 9 -2 100.37 5.82
13 9 -3 90.95 6.25
13 9 -3 91.92 6.49
13 9 -3 89.56 6.16
13 9 -3 88.14 5.83
13 9 -4 219.36 8.71
13 9 -4 218.74 9.71
13 9 -4 220.62 10.09
13 9 -4 235.62 10.38
13 9 -4 234.72 10.13
13 9 -5 112.01 6.72
13 9 -5 106.59 6.82
13 9 -5 108.47 7.08
13 9 -5 101.57 7.01
13 9 -5 107.97 7.18
13 9 -6 197.90 9.44
13 9 -6 187.54 8.97
13 9 -6 189.35 9.65
13 9 -6 187.46 9.72
13 9 -7 602.40 17.72
13 9 -7 589.24 17.01
13 9 -7 545.43 14.95
13 9 -7 561.21 17.44
13 9 -8 22.05 3.48
13 9 -8 18.81 3.21
13 9 -8 19.46 2.70
13 9 -8 20.36 3.37
13 9 -9 184.38 7.52
13 9 -9 177.13 9.75
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13 9 -9 176.25 9.81
13 9 -10 19.04 3.28
13 9 -10 21.77 3.65
13 9 -11 200.60 10.00
13 9 -11 207.34 8.29
13 9 -12 47.32 4.67
13 9 -12 49.54 3.87
13 9 -12 48.97 4.41
13 9 -13 55.20 4.55
13 9 -13 51.63 3.63
13 9 -13 53.74 4.17
13 9 -14 35.65 3.28
13 9 -14 35.47 3.39
13 9 -14 33.11 2.53
13 9 -14 31.52 2.81
13 9 -15 44.08 3.13
13 9 -15 40.82 3.02
13 9 -15 38.34 2.15
13 9 -15 45.16 2.83
13 9 -16 34.92 2.18
13 9 -16 33.75 2.10
13 7 17 53.07 2.62
13 7 16 72.59 3.47
13 7 16 77.44 4.17
13 7 15 19.27 2.17
13 7 15 17.15 1.63
13 7 15 17.08 2.37
13 7 14 18.42 2.31
13 7 14 16.07 2.62
13 7 14 16.03 1.83
13 7 14 19.98 1.80
13 7 13 64.11 4.62
13 7 13 63.01 5.73
13 7 13 64.77 3.92
13 7 13 65.39 4.01
13 7 12 49.53 4.38
13 7 12 39.86 4.94
13 7 12 49.67 3.98
13 7 11 222.78 9.61
13 7 11 217.99 7.97
13 7 11 202.32 8.45
13 7 11 210.50 8.15
13 7 10 33.31 3.81
13 7 10 43.87 3.92
13 7 10 35.40 4.94
13 7 10 39.86 4.08
13 7 10 39.54 3.94
13 7 9 81.96 5.96
13 7 9 96.21 5.89
13 7 9 76.82 6.75
13 7 9 84.44 6.22
13 7 9 81.91 5.83
13 7 9 94.78 6.16
13 7 8 106.27 6.92
13 7 8 121.93 6.63
13 7 8 114.86 8.04
13 7 8 123.47 5.99
13 7 8 114.49 7.57
13 7 8 116.96 6.77
13 7 7 290.39 11.00
13 7 7 323.78 10.92
13 7 7 304.73 12.61
13 7 7 330.73 10.58
13 7 7 314.83 13.15
13 7 7 309.22 10.78
13 7 6 58.64 4.78
13 7 6 56.08 4.56
13 7 6 63.37 4.82
13 7 6 58.74 5.28
13 7 6 70.51 5.27
13 7 6 69.70 6.44
13 7 6 66.46 4.92
13 7 6 78.70 5.92
13 7 5 622.40 16.17
13 7 5 519.31 13.46
13 7 5 527.11 13.94
13 7 5 542.13 14.08
13 7 5 536.18 15.06
13 7 5 595.01 15.80
13 7 5 524.00 29.67
13 7 5 557.14 18.49
13 7 5 539.11 13.92
13 7 4 407.72 12.79
13 7 4 347.97 10.40
13 7 4 377.45 11.98
13 7 4 357.37 11.40
13 7 4 366.15 11.87
13 7 4 371.80 12.69
13 7 4 334.45 24.49
13 7 4 341.62 14.57
13 7 4 372.05 11.53
13 7 3 68.63 5.28
13 7 3 61.28 4.19
13 7 3 78.43 5.54
13 7 3 70.38 4.98
13 7 3 69.12 5.59
13 7 3 78.87 12.33
13 7 3 62.75 6.12
13 7 3 68.26 4.94
13 7 2 237.07 9.69
13 7 2 253.97 9.78
-13 7 -2 236.36 15.69
13 7 2 222.37 7.66
13 7 2 235.00 8.61
13 7 2 256.33 10.42
13 7 2 238.60 21.88
13 7 2 232.40 11.39
13 7 2 275.89 12.24
13 7 2 219.72 8.84
13 7 1 43.89 4.13
13 7 1 48.59 4.33
-13 7 -1 62.87 8.63
13 7 1 44.54 3.62
13 7 1 47.60 4.50
13 7 1 49.26 4.57
13 7 1 48.95 9.89
13 7 1 44.77 4.59
13 7 1 42.54 4.93
13 7 0 52.67 4.52
13 7 0 59.56 4.78
13 7 0 54.38 4.79
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13 7 0 51.15 4.24
13 7 0 59.16 4.84
13 7 0 56.98 10.22
13 7 0 54.97 4.70
13 7 0 55.96 5.84
13 7 -1 46.47 4.32
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13 7 -1 48.21 4.37
13 7 -1 42.18 4.25
13 7 -1 47.81 4.30
13 7 -1 39.68 8.30
13 7 -1 41.89 3.72
13 7 -1 53.07 5.56
13 7 -2 204.43 9.30
13 7 -2 230.63 10.04
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13 7 -2 219.31 9.51
13 7 -2 198.40 18.63
13 7 -2 255.32 11.62
13 7 -2 230.36 8.10
13 7 -3 125.44 7.31
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13 7 -3 129.28 7.52
13 7 -3 126.33 7.45
13 7 -3 123.99 14.57
13 7 -3 122.77 6.45
13 7 -4 377.25 12.83
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13 7 -4 360.12 12.77
13 7 -4 361.84 12.85
13 7 -4 349.66 24.17
13 7 -4 378.88 12.23
13 7 -5 565.22 16.12
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13 7 -5 578.54 16.14
13 7 -5 557.22 16.44
13 7 -5 579.12 30.93
13 7 -5 594.10 16.59
13 7 -6 34.84 4.10
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13 7 -6 37.91 4.16
13 7 -6 33.79 4.13
13 7 -7 264.11 11.37
13 7 -7 267.63 12.00
13 7 -8 115.46 7.39
13 7 -8 130.90 6.95
13 7 -8 119.77 8.20
13 7 -9 137.86 7.86
13 7 -9 135.76 6.74
13 7 -9 137.91 8.81
13 7 -10 53.42 4.66
13 7 -10 53.09 4.06
13 7 -10 51.70 5.28
13 7 -11 201.24 8.17
13 7 -11 193.64 8.80
13 7 -11 213.22 10.41
13 7 -12 58.93 4.78
13 7 -12 64.96 5.37
13 7 -13 85.23 5.44
13 7 -13 79.69 5.59
13 7 -14 16.88 2.17
13 7 -14 19.14 2.53
13 7 -15 27.16 2.48
13 7 -15 24.61 2.49
13 7 -16 82.14 4.16
13 7 -16 77.42 4.18
13 7 -16 81.24 3.39
13 7 -16 85.97 3.84
13 7 -17 48.13 2.65
13 7 -17 47.82 2.49
13 5 17 29.83 2.51
13 5 16 58.77 3.44
13 5 16 67.44 4.54
13 5 16 61.02 2.93
13 5 15 112.38 5.36
13 5 15 125.31 7.19
13 5 15 116.05 4.83
13 5 14 16.34 2.28
13 5 14 15.59 3.05
13 5 14 14.84 1.94
13 5 13 48.02 4.21
13 5 13 36.26 4.98
13 5 13 43.84 3.53
13 5 13 41.67 3.31
13 5 12 51.41 4.52
13 5 12 40.29 5.44
13 5 12 51.66 4.08
13 5 12 56.82 4.04
13 5 11 35.87 3.84
13 5 11 33.89 3.69
13 5 11 26.96 4.54
13 5 11 34.46 3.55
13 5 11 37.29 3.77
13 5 10 48.78 4.49
13 5 10 49.74 4.43
13 5 10 39.22 5.45
13 5 10 46.15 4.45
13 5 10 53.85 4.73
13 5 9 323.70 11.60
13 5 9 317.23 10.49
13 5 9 370.46 12.05
13 5 9 332.54 14.84
13 5 9 357.98 9.47
13 5 9 341.11 12.24
13 5 9 321.92 11.67
13 5 9 360.03 12.53
13 5 8 152.67 7.81
13 5 8 138.04 7.28
13 5 8 180.23 8.48
13 5 8 159.18 9.84
13 5 8 176.86 7.19
13 5 8 174.17 9.20
13 5 8 149.96 8.03
13 5 8 173.05 8.41
13 5 7 101.68 6.43
13 5 7 92.04 5.84
13 5 7 86.54 5.97
13 5 7 105.95 6.40
13 5 7 117.18 16.20
13 5 7 108.19 7.77
13 5 7 113.03 6.21
13 5 7 104.77 7.37
13 5 7 103.44 6.42
13 5 6 239.20 9.72
13 5 6 199.99 9.30
13 5 6 198.48 7.97
13 5 6 201.87 8.97
13 5 6 223.30 9.12
13 5 6 229.61 21.62
13 5 6 208.52 10.26
13 5 6 216.16 9.03
13 5 6 220.31 11.01
13 5 6 230.09 8.72
13 5 6 218.49 9.09
13 5 5 243.29 10.28
13 5 5 257.06 9.91
13 5 5 226.52 9.40
13 5 5 238.36 9.37
13 5 5 229.27 10.28
13 5 5 228.13 9.43
13 5 5 239.84 11.80
13 5 5 231.50 9.30
13 5 5 227.41 9.02
13 5 4 202.16 8.77
13 5 4 179.08 8.27
13 5 4 182.13 8.13
13 5 4 180.42 8.69
13 5 4 175.92 8.46
13 5 4 176.39 17.11
13 5 4 165.91 9.78
13 5 4 201.19 9.10
13 5 4 194.65 8.39
13 5 3 131.30 6.97
13 5 3 121.62 6.73
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13 5 3 127.90 6.99
13 5 3 119.15 6.95
13 5 3 106.98 13.97
13 5 3 121.58 8.14
13 5 3 126.61 7.61
13 5 3 127.28 6.79
13 5 2 62.08 4.82
13 5 2 60.04 4.64
-13 5 -2 48.92 7.10
13 5 2 57.77 3.67
13 5 2 54.22 4.45
13 5 2 58.42 4.75
13 5 2 49.84 9.55
13 5 2 55.69 5.15
13 5 2 61.14 5.52
13 5 2 54.90 4.42
13 5 1 326.17 11.02
13 5 1 327.52 10.79
-13 5 -1 335.93 20.99
13 5 1 316.19 9.06
13 5 1 312.79 10.33
13 5 1 322.57 10.82
13 5 1 335.58 11.84
13 5 1 320.03 24.48
13 5 1 339.82 10.57
13 5 1 290.03 10.89
13 5 1 316.06 12.89
13 5 0 19.46 3.32
13 5 0 25.58 3.21
13 5 0 20.19 2.56
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13 5 0 22.75 2.81
13 5 0 24.67 3.39
13 5 0 21.45 2.85
13 5 0 23.72 2.83
13 5 0 20.37 2.50
13 5 0 22.34 2.73
13 5 0 32.95 7.62
13 5 -1 292.60 10.18
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13 5 -1 270.21 10.25
13 5 -1 266.51 9.73
13 5 -1 289.36 9.50
13 5 -1 268.70 9.30
13 5 -1 278.20 22.07
13 5 -1 278.32 9.01
13 5 -1 288.74 9.45
13 5 -1 293.80 11.12
13 5 -1 292.37 12.20
13 5 -2 37.98 3.78
13 5 -2 30.63 3.57
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13 5 -2 29.50 3.40
13 5 -2 38.29 3.41
13 5 -2 32.56 3.16
13 5 -2 31.93 7.04
13 5 -2 31.87 3.09
13 5 -2 29.87 3.79
13 5 -2 32.31 3.64
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13 5 -3 145.85 7.77
13 5 -3 141.90 7.70
13 5 -3 158.49 6.77
13 5 -3 138.25 6.28
13 5 -3 150.10 15.84
13 5 -3 155.13 6.71
13 5 -3 155.19 8.32
13 5 -3 147.74 8.10
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13 5 -4 242.87 10.39
13 5 -4 239.68 10.18
13 5 -4 242.09 10.53
13 5 -4 243.58 8.12
13 5 -4 253.71 20.61
13 5 -4 239.08 8.23
13 5 -4 256.37 10.21
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13 5 -5 240.63 10.61
13 5 -5 234.88 10.06
13 5 -5 235.16 9.26
13 5 -6 211.16 10.13
13 5 -6 208.04 9.23
13 5 -6 203.54 8.29
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13 5 -7 77.10 5.56
13 5 -7 70.26 5.24
13 5 -8 129.71 6.94
13 5 -8 113.06 6.95
13 5 -9 352.14 10.93
13 5 -9 329.34 12.51
13 5 -10 36.14 3.39
13 5 -10 40.80 4.39
13 5 -11 71.66 4.49
13 5 -11 77.87 5.95
13 5 -11 83.78 6.09
13 5 -12 58.88 4.84
13 5 -12 61.57 3.86
13 5 -12 68.33 5.45
13 5 -12 55.40 4.96
13 5 -13 26.58 2.95
13 5 -13 24.08 3.07
13 5 -13 27.04 3.36
13 5 -14 4.15 1.01
13 5 -14 5.64 1.47
13 5 -14 5.44 1.54
13 5 -14 5.17 1.66
13 5 -15 96.52 5.21
13 5 -15 92.38 5.24
13 5 -16 66.19 3.83
13 5 -16 72.03 4.03
13 5 -17 39.54 2.33
13 5 -17 41.24 2.49
13 3 18 3.74 0.87
13 3 17 75.56 4.29
13 3 16 13.69 1.64
13 3 16 17.84 2.62
13 3 15 77.11 4.47
13 3 15 87.87 6.43
13 3 15 79.26 4.38
13 3 14 18.90 2.44
13 3 14 19.19 3.66
13 3 14 19.08 2.28
13 3 13 168.01 7.55
13 3 13 166.27 10.73
13 3 13 188.18 7.82
13 3 13 178.90 6.73
13 3 12 70.77 5.11
13 3 12 62.29 6.94
13 3 12 75.39 4.95
13 3 12 77.68 5.17
13 3 11 236.45 9.48
13 3 11 229.45 9.95
13 3 11 234.41 9.23
13 3 11 251.29 9.98
13 3 10 25.14 2.78
13 3 10 23.83 3.11
13 3 10 17.05 2.93
13 3 10 16.43 3.72
13 3 10 20.56 2.83
13 3 10 18.93 2.85
13 3 10 15.49 2.76
13 3 9 169.41 8.05
13 3 9 159.00 7.51
13 3 9 179.74 8.82
13 3 9 155.77 10.34
13 3 9 164.22 6.61
13 3 9 164.12 8.45
13 3 9 157.12 8.20
13 3 9 192.25 9.17
13 3 8 129.58 7.31
13 3 8 132.07 6.64
13 3 8 141.60 7.70
13 3 8 141.91 17.55
13 3 8 141.11 9.42
13 3 8 129.50 6.32
13 3 8 134.39 7.92
13 3 8 120.01 7.32
13 3 8 140.30 7.57
13 3 7 611.07 14.13
13 3 7 497.98 14.67
13 3 7 604.49 15.58
13 3 7 554.73 17.61
13 3 7 542.73 13.57
13 3 7 584.60 17.00
13 3 7 520.91 15.15
13 3 7 527.63 12.13
13 3 7 575.23 14.92
13 3 6 280.75 9.42
13 3 6 239.79 10.25
13 3 6 269.84 10.14
13 3 6 268.99 11.73
13 3 6 264.27 11.71
13 3 6 251.45 8.75
13 3 6 265.38 10.02
13 3 5 434.12 13.59
13 3 5 487.01 12.47
13 3 5 460.95 13.15
13 3 5 450.38 14.52
13 3 5 422.16 14.90
13 3 5 437.42 12.16
13 3 5 461.93 13.03
13 3 4 44.45 4.17
13 3 4 51.17 4.03
13 3 4 43.81 3.94
13 3 4 44.25 4.43
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13 -3 -18 3.31 0.69
13 -5 17 35.66 2.17
13 -5 17 32.20 1.91
13 -5 16 70.87 4.05
13 -5 16 68.05 4.30
13 -5 16 70.37 4.03
13 -5 15 91.16 4.05
13 -5 15 98.19 5.56
13 -5 15 96.30 5.90
13 -5 15 94.16 5.61
13 -5 14 5.45 1.33
13 -5 14 6.27 1.57
13 -5 14 7.53 2.13
13 -5 14 4.46 1.15
13 -5 13 28.78 3.85
13 -5 13 24.21 2.93
13 -5 13 21.08 3.38
13 -5 13 24.89 3.69
13 -5 12 50.79 5.26
13 -5 12 57.03 5.03
13 -5 12 43.32 5.20
13 -5 11 55.92 5.45
13 -5 11 59.00 5.95
13 -5 10 33.01 4.23
13 -5 10 31.30 4.03
13 -5 10 31.23 4.32
13 -5 10 40.57 3.65
13 -5 9 336.29 12.06
13 -5 9 340.07 13.19
13 -5 9 369.08 13.86
13 -5 9 387.81 11.99
13 -5 9 371.95 12.14
13 -5 8 123.34 7.80
13 -5 8 134.95 7.79
13 -5 8 119.24 7.07
13 -5 8 121.60 7.40
13 -5 7 79.01 4.84
13 -5 7 90.70 10.41
13 -5 7 81.97 6.22
13 -5 7 76.21 5.83
13 -5 7 84.69 11.97
13 -5 7 88.70 11.75
13 -5 7 77.41 5.54
13 -5 7 70.37 5.58
13 -5 7 67.99 5.81
13 -5 6 195.96 8.18
13 -5 6 215.28 10.00
13 -5 6 227.08 17.28
13 -5 6 226.46 9.75
13 -5 6 207.70 9.00
13 -5 6 240.14 20.75
13 -5 6 236.21 20.28
13 -5 6 200.90 9.43
13 -5 6 229.05 8.53
13 -5 6 185.38 9.84
13 -5 5 230.94 9.47
13 -5 5 246.62 10.31
13 -5 5 277.01 18.99
13 -5 5 247.68 9.90
13 -5 5 240.92 8.83
13 -5 5 243.82 7.87
13 -5 5 261.53 22.46
13 -5 5 245.82 21.32
13 -5 5 238.21 10.28
13 -5 5 236.88 8.18
13 -5 5 211.53 10.52
13 -5 4 253.11 10.42
13 -5 4 249.39 9.95
13 -5 4 260.76 18.60
13 -5 4 257.73 9.83
13 -5 4 235.44 7.92
13 -5 4 247.73 21.95
13 -5 4 286.02 24.17
13 -5 4 245.64 10.25
13 -5 4 231.08 10.77
13 -5 3 155.62 8.63
13 -5 3 142.52 7.22
13 -5 3 151.45 14.09
13 -5 3 144.89 7.20
13 -5 3 147.28 6.37
13 -5 3 152.33 17.93
13 -5 3 151.54 17.64
13 -5 3 157.37 8.12
13 -5 3 143.34 8.22
13 -5 2 32.51 4.07
13 -5 2 34.33 3.47
13 -5 2 27.76 5.97
13 -5 2 33.36 3.43
13 -5 2 32.04 8.42
13 -5 2 36.69 3.80
13 -5 2 36.97 7.64
13 -5 2 35.56 3.84
13 -5 1 271.27 12.21
13 -5 1 293.07 10.02
13 -5 1 276.80 23.83
13 -5 1 245.14 22.74
13 -5 1 302.61 11.01
13 -5 1 279.33 10.60
13 -5 0 19.77 3.42
13 -5 0 24.88 7.21
13 -5 0 23.31 3.05
13 -5 0 21.03 2.77
13 -5 0 12.83 4.36
13 -5 0 25.35 3.13
13 -5 -1 298.26 12.69
13 -5 -1 308.36 8.71
13 -5 -1 331.17 10.87
13 -5 -1 302.31 22.46
13 -5 -1 294.12 22.65
13 -5 -1 309.45 10.43
13 -5 -2 61.56 5.64
13 -5 -2 54.09 8.06
13 -5 -2 47.86 8.17
13 -5 -2 58.94 9.10
13 -5 -2 53.34 4.23
13 -5 -3 132.06 7.85
13 -5 -3 110.36 12.19
13 -5 -3 134.08 6.61
13 -5 -4 191.03 9.10
13 -5 -4 162.44 15.16
13 -5 -4 175.88 7.17
13 -5 -4 191.16 7.78
13 -5 -5 232.11 9.47
13 -5 -5 225.42 9.45
13 -5 -5 245.97 8.80
13 -5 -6 203.70 8.32
13 -5 -6 205.57 9.31
13 -5 -6 194.58 17.79
13 -5 -6 234.87 8.38
13 -5 -7 94.26 5.37
13 -5 -7 96.30 6.53
13 -5 -7 99.47 12.85
13 -5 -8 156.93 8.43
13 -5 -8 145.75 8.16
13 -5 -9 318.24 12.34
13 -5 -9 319.06 12.68
13 -5 -10 52.50 4.96
13 -5 -10 52.25 4.99
13 -5 -10 46.61 4.94
13 -5 -10 48.22 4.54
13 -5 -11 36.54 4.07
13 -5 -11 35.59 4.02
13 -5 -11 43.73 4.69
13 -5 -11 37.42 3.99
-13 -5 11 36.83 3.89
13 -5 -12 52.27 4.76
13 -5 -12 54.46 5.02
13 -5 -12 54.95 4.72
13 -5 -12 51.40 4.71
-13 -5 12 51.03 4.58
13 -5 -13 48.63 4.27
13 -5 -13 42.49 4.03
13 -5 -13 43.70 4.08
13 -5 -13 35.26 3.87
-13 -5 13 41.02 4.04
13 -5 -14 15.74 2.34
13 -5 -14 19.33 2.67
13 -5 -14 14.63 2.38
-13 -5 14 17.94 2.60
13 -5 -15 119.02 5.53
13 -5 -15 122.66 5.99
13 -5 -15 123.80 6.21
-13 -5 15 115.86 5.71
13 -5 -16 70.43 4.06
13 -5 -16 67.30 4.10
-13 -5 16 68.52 3.76
13 -5 -17 33.07 2.40
-13 -5 17 30.03 1.90
13 -7 17 49.00 2.63
13 -7 16 82.83 4.26
13 -7 15 23.74 2.04
13 -7 15 26.36 2.74
13 -7 15 24.37 2.76
13 -7 15 21.48 2.56
13 -7 14 17.40 2.62
13 -7 14 19.37 2.93
13 -7 14 17.50 2.67
13 -7 13 80.88 5.97
13 -7 13 79.13 6.09
13 -7 13 76.71 6.20
13 -7 12 57.30 5.36
13 -7 12 60.57 5.70
13 -7 12 51.69 5.50
13 -7 11 152.37 8.96
13 -7 11 180.47 10.16
13 -7 11 161.28 9.89
13 -7 11 196.40 7.71
13 -7 10 51.58 5.21
13 -7 10 42.79 5.20
13 -7 10 58.53 6.13
13 -7 10 53.39 4.51
13 -7 9 146.05 8.41
13 -7 9 134.40 8.82
13 -7 9 150.98 9.38
13 -7 9 143.31 8.09
13 -7 8 134.48 7.62
13 -7 8 126.28 8.36
13 -7 8 136.24 8.67
13 -7 8 134.49 8.30
13 -7 7 282.72 9.47
13 -7 7 294.03 12.28
13 -7 7 312.25 12.52
13 -7 7 309.33 10.89
13 -7 7 273.88 12.34
13 -7 6 35.72 3.60
13 -7 6 40.35 4.25
13 -7 6 36.24 4.08
13 -7 6 35.91 4.02
13 -7 6 33.88 4.52
13 -7 5 572.82 15.60
13 -7 5 615.34 27.30
13 -7 5 578.50 14.90
13 -7 5 531.24 30.90
13 -7 5 562.42 32.64
13 -7 5 596.57 16.03
13 -7 5 507.59 17.06
13 -7 4 388.11 13.70
13 -7 4 413.85 22.87
13 -7 4 406.93 11.38
13 -7 4 369.13 10.98
13 -7 4 363.19 9.49
13 -7 4 428.77 30.09
13 -7 4 356.67 13.93
13 -7 3 129.90 12.91
13 -7 3 126.66 6.28
13 -7 3 126.00 16.49
13 -7 3 128.90 8.10
13 -7 2 233.65 8.46
13 -7 2 224.35 22.62
13 -7 2 243.81 10.67
13 -7 1 46.58 3.89
13 -7 1 41.84 4.16
13 -7 0 51.44 4.14
13 -7 0 50.44 10.80
13 -7 0 50.11 4.49
13 -7 -1 46.47 10.10
13 -7 -1 45.51 4.11
13 -7 -2 223.76 7.97
13 -7 -2 236.96 19.16
13 -7 -2 239.56 9.14
13 -7 -3 62.84 9.73
13 -7 -3 66.70 4.59
13 -7 -3 70.06 4.90
13 -7 -4 375.33 13.21
13 -7 -4 358.85 11.14
13 -7 -4 377.25 11.11
13 -7 -5 512.45 14.64
13 -7 -5 480.17 27.90
13 -7 -5 532.22 14.46
13 -7 -6 56.50 4.69
13 -7 -6 62.13 5.26
13 -7 -6 56.60 10.03
13 -7 -6 67.37 4.28
13 -7 -7 284.87 9.69
13 -7 -7 300.68 11.75
13 -7 -8 109.30 7.24
13 -7 -8 107.56 6.86
13 -7 -9 83.38 6.37
13 -7 -9 91.63 6.53
13 -7 -10 36.76 4.22
13 -7 -10 41.36 4.39
13 -7 -11 217.98 9.80
13 -7 -11 219.32 9.73
13 -7 -11 220.49 9.50
13 -7 -11 225.64 9.92
13 -7 -12 51.79 4.59
13 -7 -12 51.23 4.57
13 -7 -12 55.49 4.76
13 -7 -12 53.55 4.53
-13 -7 12 58.62 4.52
13 -7 -13 64.22 4.71
13 -7 -13 64.31 4.67
13 -7 -13 69.05 4.99
13 -7 -13 69.56 4.92
-13 -7 13 68.36 4.71
13 -7 -14 17.99 2.33
13 -7 -14 19.09 2.48
13 -7 -14 18.42 2.51
-13 -7 14 16.05 2.09
13 -7 -15 15.78 1.93
13 -7 -15 18.66 2.25
13 -7 -15 20.20 2.38
-13 -7 15 19.49 2.01
13 -7 -16 81.45 3.90
13 -7 -16 75.95 3.76
-13 -7 16 71.37 2.97
13 -7 -17 54.40 2.58
13 -9 16 35.97 2.30
13 -9 15 40.59 2.38
13 -9 15 43.19 3.14
13 -9 14 35.17 3.35
13 -9 13 52.98 4.60
13 -9 12 47.91 4.76
13 -9 12 42.39 4.69
13 -9 12 45.51 3.24
13 -9 11 207.54 10.39
13 -9 11 195.56 10.60
13 -9 11 225.08 8.28
13 -9 10 20.12 2.85
13 -9 10 22.05 3.79
13 -9 10 19.63 3.51
13 -9 9 161.79 9.59
13 -9 9 203.34 9.77
13 -9 8 22.41 3.71
13 -9 8 24.10 3.70
13 -9 7 575.67 13.70
13 -9 7 595.56 17.39
13 -9 7 553.19 18.37
13 -9 6 181.24 8.41
13 -9 6 205.69 9.98
13 -9 5 111.06 7.12
13 -9 5 100.38 7.83
13 -9 4 232.15 9.74
13 -9 4 222.02 11.30
13 -9 3 92.58 5.63
13 -9 3 95.35 7.13
13 -9 2 101.76 5.54
13 -9 2 110.59 7.28
13 -9 1 120.87 6.17
13 -9 1 134.14 17.49
13 -9 1 140.21 7.85
13 -9 0 686.63 15.00
13 -9 0 721.24 17.09
13 -9 -1 122.78 6.45
13 -9 -1 132.86 7.16
13 -9 -2 131.30 6.95
13 -9 -2 129.11 6.85
13 -9 -3 150.43 7.65
13 -9 -3 153.92 7.20
13 -9 -4 274.93 10.54
13 -9 -4 282.30 9.44
13 -9 -5 165.60 8.40
13 -9 -5 176.13 6.99
13 -9 -6 194.63 8.70
13 -9 -6 210.58 9.71
13 -9 -7 575.70 14.17
13 -9 -7 608.09 16.65
13 -9 -8 13.87 2.71
13 -9 -8 15.04 2.08
13 -9 -9 189.41 9.35
13 -9 -9 196.04 8.86
13 -9 -10 11.91 2.45
13 -9 -10 7.86 1.75
13 -9 -11 217.02 9.27
13 -9 -11 224.81 9.43
13 -9 -11 225.54 9.09
13 -9 -12 31.75 3.40
13 -9 -12 32.24 3.44
13 -9 -12 33.17 3.38
13 -9 -12 28.98 3.11
13 -9 -13 37.46 3.24
13 -9 -13 38.32 3.37
13 -9 -13 39.18 3.34
13 -9 -13 36.00 3.29
13 -9 -14 31.63 2.61
13 -9 -14 29.13 2.65
13 -9 -14 32.70 2.77
13 -9 -15 34.22 2.27
13 -9 -15 34.53 2.57
13 -9 -15 33.88 2.45
-13 -9 15 29.85 2.51
13 -9 -16 47.57 2.44
-13 -9 16 42.44 2.36
13 -11 15 143.17 4.16
13 -11 14 89.59 4.26
13 -11 13 44.90 3.56
13 -11 13 40.54 1.99
13 -11 12 105.04 4.70
13 -11 12 91.13 5.73
13 -11 12 91.75 4.16
13 -11 11 46.08 3.78
13 -11 11 51.14 4.71
13 -11 11 53.52 3.80
13 -11 10 63.79 5.51
13 -11 10 64.82 4.87
13 -11 10 74.87 5.21
13 -11 9 45.77 4.32
13 -11 9 45.36 4.81
13 -11 9 55.02 4.95
13 -11 8 129.56 8.11
13 -11 8 140.74 7.77
13 -11 8 140.96 8.71
13 -11 7 176.02 7.36
13 -11 7 185.16 8.86
13 -11 7 169.73 9.11
13 -11 7 164.87 9.95
13 -11 6 414.95 12.42
13 -11 6 435.07 14.34
13 -11 5 600.39 15.32
13 -11 5 548.99 15.69
13 -11 4 288.00 11.04
13 -11 4 288.92 13.14
13 -11 3 158.90 7.94
13 -11 3 164.02 9.53
13 -11 2 29.42 3.35
13 -11 2 22.99 3.02
13 -11 2 23.65 3.47
13 -11 1 176.87 7.57
13 -11 1 153.14 7.73
13 -11 1 158.19 8.46
13 -11 0 61.00 4.96
13 -11 0 65.12 5.16
13 -11 -1 120.70 6.84
13 -11 -1 124.95 6.81
13 -11 -2 40.47 4.00
13 -11 -2 45.38 4.00
13 -11 -3 190.99 8.80
13 -11 -3 205.43 8.07
13 -11 -4 296.61 11.16
13 -11 -4 324.15 9.49
13 -11 -5 591.37 16.06
13 -11 -6 397.16 12.22
13 -11 -6 425.35 13.77
13 -11 -7 182.54 7.73
13 -11 -7 198.48 9.29
13 -11 -8 139.76 5.90
13 -11 -8 145.64 7.85
-13 -11 8 147.42 7.27
13 -11 -9 54.94 4.78
-13 -11 9 49.05 4.29
13 -11 -10 59.62 4.71
13 -11 -10 69.33 4.33
-13 -11 10 64.13 4.93
13 -11 -11 41.13 3.62
13 -11 -11 43.90 3.90
13 -11 -11 43.96 3.32
-13 -11 11 42.76 3.79
13 -11 -12 89.55 4.76
13 -11 -12 92.11 4.39
13 -11 -12 90.16 4.93
-13 -11 12 87.37 5.01
13 -11 -12 91.62 5.07
13 -11 -13 23.45 2.10
13 -11 -13 24.87 2.28
13 -11 -13 27.29 2.12
13 -11 -13 23.93 2.36
-13 -11 13 24.08 2.46
13 -11 -14 90.34 3.51
13 -11 -14 94.13 3.93
13 -11 -14 85.81 3.01
-13 -11 14 89.60 3.85
13 -11 -15 93.38 3.12
13 -13 13 56.99 2.97
13 -13 12 184.26 6.39
13 -13 12 165.80 4.36
13 -13 11 76.96 4.75
13 -13 11 77.08 3.89
13 -13 10 144.60 7.13
13 -13 10 167.31 6.80
13 -13 9 164.99 8.11
13 -13 9 211.35 8.79
13 -13 8 198.73 9.15
13 -13 8 213.99 9.82
13 -13 7 93.53 4.77
13 -13 7 94.12 6.40
13 -13 7 96.52 7.18
13 -13 6 95.41 5.54
13 -13 6 101.65 6.54
13 -13 6 80.88 6.77
13 -13 5 171.47 8.43
13 -13 5 162.21 9.66
13 -13 4 17.58 3.47
13 -13 4 15.94 2.66
13 -13 4 9.46 1.85
13 -13 3 236.76 9.50
13 -13 3 219.05 9.34
13 -13 3 242.16 11.03
13 -13 2 39.69 3.92
13 -13 2 29.30 3.48
13 -13 2 33.71 3.94
13 -13 1 193.01 8.72
13 -13 1 201.23 9.06
13 -13 0 7.62 1.83
13 -13 0 7.88 1.87
13 -13 -1 222.61 9.36
13 -13 -1 232.37 8.72
13 -13 -2 42.97 4.18
13 -13 -2 44.41 3.68
13 -13 -3 246.74 9.97
13 -13 -3 248.19 7.79
13 -13 -4 15.65 2.55
13 -13 -5 168.41 8.28
13 -13 -6 85.90 5.25
13 -13 -6 90.72 6.07
13 -13 -7 84.93 4.81
13 -13 -7 90.16 5.82
13 -13 -8 186.96 8.13
13 -13 -9 163.90 7.18
-13 -13 9 168.51 6.22
13 -13 -10 142.09 6.16
-13 -13 10 140.62 5.50
13 -13 -11 71.64 3.83
13 -13 -11 69.18 3.98
13 -13 -11 76.08 4.13
-13 -13 11 65.17 3.42
13 -13 -12 189.30 5.07
13 -13 -12 191.38 5.76
13 -13 -12 191.33 5.64
13 -13 -13 49.69 2.17
13 -13 -13 52.31 2.58
13 -15 11 157.83 4.59
13 -15 10 90.81 4.24
13 -15 10 94.59 3.94
13 -15 9 22.48 2.42
13 -15 9 30.15 2.71
13 -15 8 104.56 5.50
13 -15 8 104.15 3.96
13 -15 7 62.78 2.93
13 -15 7 62.75 4.42
13 -15 7 57.79 3.62
13 -15 7 67.07 5.00
13 -15 6 114.85 5.03
13 -15 6 111.42 6.03
13 -15 6 103.41 6.55
13 -15 5 153.93 6.65
13 -15 5 146.97 6.94
13 -15 5 140.94 7.73
13 -15 4 30.13 3.25
13 -15 4 28.70 3.54
13 -15 3 119.11 6.44
13 -15 3 124.99 6.95
13 -15 2 36.69 3.61
13 -15 2 38.78 3.77
13 -15 1 236.16 9.05
13 -15 1 234.24 8.48
13 -15 0 6.10 1.49
13 -15 0 6.26 1.59
13 -15 -1 257.94 9.56
13 -15 -1 274.50 7.91
13 -15 -2 36.76 3.62
13 -15 -3 114.41 6.31
13 -15 -4 35.56 3.53
13 -15 -5 98.28 5.39
13 -15 -5 105.87 5.96
13 -15 -6 117.02 5.26
13 -15 -6 119.77 5.93
13 -15 -7 61.18 3.08
13 -15 -7 64.96 4.20
13 -15 -8 98.95 4.78
13 -15 -9 33.95 2.53
13 -15 -10 104.47 3.56
13 -15 -10 107.08 4.16
13 -15 -10 117.31 4.24
-13 -15 11 177.06 4.58
13 -15 -11 181.31 4.36
13 -17 7 41.19 2.65
13 -17 6 26.79 1.83
13 -17 6 26.25 2.33
13 -17 5 87.66 4.04
13 -17 5 98.10 4.66
13 -17 4 21.11 2.17
13 -17 4 19.65 2.11
13 -17 4 18.36 2.10
13 -17 3 140.59 5.88
13 -17 3 151.04 5.60
13 -17 2 17.52 2.51
13 -17 2 15.08 2.06
13 -17 2 17.75 1.88
13 -17 1 81.58 4.60
13 -17 1 74.19 3.26
13 -17 0 50.94 3.68
13 -17 -1 70.98 4.31
13 -17 -2 12.45 2.19
-13 -17 2 10.58 1.16
13 -17 -2 11.64 1.77
13 -17 -3 142.09 6.24
-13 -17 3 137.08 4.58
13 -17 -3 133.86 5.76
13 -17 -4 16.50 1.97
13 -17 -4 14.92 1.86
-13 -17 4 15.59 1.73
13 -17 -5 97.72 3.84
13 -17 -5 98.15 4.33
-13 -17 5 94.07 4.18
13 -17 -6 25.58 2.06
-13 -17 6 25.87 2.15
13 -17 -7 25.78 1.73
-13 -17 7 23.87 1.95
14 16 8 45.76 2.27
14 16 8 50.70 2.53
14 16 7 67.64 3.26
14 16 7 71.12 3.48
14 16 6 28.78 2.38
14 16 6 30.77 2.53
14 16 6 28.45 1.89
14 16 5 24.74 2.24
14 16 5 25.62 2.51
14 16 4 54.98 3.55
14 16 4 48.23 3.42
14 16 3 26.73 2.50
14 16 3 25.76 2.47
14 16 2 96.20 4.79
14 16 2 88.06 3.57
14 16 2 85.19 4.11
14 16 1 2.72 1.03
14 16 1 0.94 0.65
14 16 1 0.80 0.55
14 16 0 148.82 6.00
14 16 0 153.59 5.62
14 16 0 136.09 4.00
14 16 -1 4.74 1.27
14 16 -1 3.70 1.05
14 16 -1 3.51 0.76
14 16 -2 84.95 4.39
14 16 -2 86.56 4.61
14 16 -3 30.49 2.79
14 16 -4 62.61 3.84
14 16 -5 20.05 1.60
14 16 -5 25.30 2.34
14 16 -6 20.85 1.55
14 16 -6 28.81 2.17
14 16 -6 23.99 2.30
-14 16 6 23.54 1.90
14 16 -7 90.73 3.35
14 16 -7 88.96 4.06
14 14 11 45.75 2.23
14 14 10 4.74 0.98
14 14 10 4.39 0.96
14 14 9 55.50 3.44
14 14 9 59.67 3.54
14 14 8 4.35 1.30
14 14 8 3.90 1.16
14 14 8 2.93 0.75
14 14 7 84.81 4.82
14 14 7 103.84 5.73
14 14 6 12.88 2.04
14 14 6 19.52 2.70
14 14 5 66.16 4.54
14 14 5 69.66 5.27
14 14 4 52.06 4.09
14 14 4 51.83 4.70
14 14 3 42.16 3.65
14 14 3 40.60 2.85
14 14 3 44.45 2.92
14 14 3 40.04 4.09
14 14 2 59.47 4.38
14 14 2 63.17 3.84
14 14 2 59.24 3.67
14 14 2 67.75 5.07
14 14 1 7.08 1.46
14 14 1 7.20 1.57
14 14 1 9.45 1.58
14 14 1 7.68 1.82
14 14 0 93.25 5.35
14 14 0 95.53 4.91
14 14 -1 24.68 2.96
14 14 -1 24.96 2.86
14 14 -2 92.97 5.73
14 14 -2 100.22 5.75
14 14 -3 42.94 3.10
14 14 -3 48.80 4.19
14 14 -3 43.31 3.86
14 14 -4 65.61 4.05
14 14 -4 57.41 4.51
14 14 -4 60.13 4.64
14 14 -5 65.05 4.17
14 14 -5 63.74 4.59
14 14 -5 59.88 4.66
14 14 -6 6.80 1.57
14 14 -6 8.83 1.69
14 14 -6 11.24 2.23
14 14 -7 94.79 4.98
14 14 -7 98.30 4.80
14 14 -7 88.91 5.46
-14 14 7 85.65 4.30
14 14 -8 2.23 1.07
14 14 -8 -0.01 0.67
14 14 -8 1.18 0.93
-14 14 8 -1.15 0.82
14 14 -9 68.07 3.75
14 14 -9 75.65 3.21
14 14 -9 76.83 4.39
14 14 -10 7.63 1.12
14 14 -10 7.55 1.25
14 14 -11 60.34 2.83
14 12 13 69.35 2.72
14 12 12 72.69 3.47
14 12 12 71.27 3.07
14 12 11 68.93 3.89
14 12 11 72.17 3.71
14 12 10 35.63 3.12
14 12 10 36.69 3.11
14 12 9 171.87 7.24
14 12 9 191.56 7.72
14 12 9 179.73 6.26
14 12 8 51.30 4.18
14 12 8 67.02 5.02
14 12 7 91.59 5.74
14 12 7 118.03 7.26
14 12 6 24.16 2.99
14 12 6 24.15 2.25
14 12 6 24.76 3.77
14 12 5 49.95 4.26
14 12 5 53.34 3.68
14 12 5 56.41 5.52
14 12 4 82.64 5.52
14 12 4 87.24 4.21
14 12 4 72.64 4.51
14 12 4 74.34 6.51
14 12 3 24.88 3.03
14 12 3 26.18 2.53
14 12 3 26.69 2.82
14 12 3 22.28 3.62
14 12 2 233.68 9.10
14 12 2 241.51 8.36
14 12 2 234.28 10.78
14 12 1 100.58 5.72
14 12 1 105.91 5.81
14 12 1 100.36 6.64
14 12 0 30.24 3.27
14 12 0 27.07 3.10
14 12 0 31.45 3.68
14 12 -1 102.49 6.41
14 12 -1 96.31 5.87
14 12 -1 92.33 5.07
14 12 -2 256.64 10.05
14 12 -2 245.51 9.52
14 12 -2 230.42 7.55
14 12 -3 21.86 3.08
14 12 -3 18.39 2.74
14 12 -3 16.65 2.17
14 12 -4 89.08 5.65
14 12 -4 100.89 5.63
14 12 -4 86.24 5.97
14 12 -4 93.55 5.44
14 12 -5 62.16 4.29
14 12 -5 69.90 4.91
14 12 -5 61.00 5.19
14 12 -5 63.35 4.62
14 12 -6 29.89 3.36
14 12 -6 30.87 3.77
14 12 -6 26.87 3.09
14 12 -7 71.08 5.12
14 12 -7 74.83 5.80
14 12 -7 80.31 5.22
14 12 -8 45.86 4.01
14 12 -8 48.67 4.56
-14 12 8 54.39 3.60
14 12 -8 56.84 4.22
14 12 -9 130.68 6.71
14 12 -9 149.98 5.75
14 12 -9 143.68 7.50
-14 12 9 132.13 5.03
14 12 -9 139.33 6.32
14 12 -10 30.31 3.07
14 12 -10 30.44 2.27
14 12 -10 31.23 3.34
14 12 -10 30.96 2.82
14 12 -11 67.55 4.10
14 12 -11 66.48 2.62
14 12 -11 67.36 4.32
14 12 -11 63.55 3.36
14 12 -12 83.92 3.96
14 12 -12 88.00 4.21
14 12 -13 74.96 3.18
14 10 14 161.82 4.68
14 10 13 17.42 1.86
14 10 13 17.01 1.66
14 10 13 17.59 1.64
14 10 12 132.07 5.66
14 10 12 128.57 5.34
14 10 12 125.90 5.09
14 10 11 108.29 5.59
14 10 11 98.08 5.26
14 10 11 100.61 5.18
14 10 10 59.94 4.52
14 10 10 62.58 4.55
14 10 10 59.95 4.46
14 10 10 64.44 4.09
14 10 9 90.05 5.82
14 10 9 92.94 5.65
14 10 9 98.68 6.27
14 10 9 94.28 5.47
14 10 8 177.68 8.28
14 10 8 218.60 7.45
14 10 8 186.39 7.86
14 10 8 205.10 9.67
14 10 7 26.30 3.18
14 10 7 29.53 3.02
14 10 7 30.77 4.07
14 10 7 31.40 3.05
14 10 6 131.02 7.23
14 10 6 137.62 6.59
14 10 6 140.06 9.07
14 10 6 150.43 6.64
14 10 5 106.17 6.47
14 10 5 112.56 6.17
14 10 5 117.46 8.56
14 10 5 117.37 5.87
14 10 4 141.87 7.35
14 10 4 139.64 6.92
14 10 4 123.10 8.83
14 10 4 148.26 6.70
14 10 3 98.68 5.98
14 10 3 84.89 5.45
14 10 3 87.90 7.43
14 10 3 88.28 5.18
14 10 2 450.32 13.91
14 10 2 391.58 11.92
14 10 2 426.26 15.43
14 10 2 414.41 11.34
14 10 1 186.60 8.97
14 10 1 183.18 7.39
14 10 1 176.66 9.42
14 10 1 165.07 7.34
14 10 0 379.39 12.61
14 10 0 392.31 11.35
14 10 0 382.59 12.68
14 10 0 350.85 10.81
14 10 -1 201.54 9.12
14 10 -1 188.21 8.24
14 10 -1 192.41 8.04
14 10 -1 172.72 7.69
14 10 -2 445.91 13.70
14 10 -2 432.71 13.09
14 10 -2 440.73 13.46
14 10 -3 124.07 7.19
14 10 -3 121.54 7.11
14 10 -3 123.95 7.27
14 10 -3 126.21 6.87
14 10 -4 148.85 7.94
14 10 -4 147.26 8.07
14 10 -4 146.28 7.90
14 10 -5 95.95 6.27
14 10 -5 102.98 6.10
14 10 -5 99.22 6.76
14 10 -5 98.40 6.65
14 10 -6 87.50 5.83
14 10 -6 96.56 6.16
14 10 -6 92.93 6.63
14 10 -6 90.87 6.60
14 10 -7 24.55 2.93
14 10 -7 27.29 3.46
14 10 -7 29.00 3.78
14 10 -7 23.34 3.52
14 10 -8 174.41 6.96
14 10 -8 164.56 8.50
14 10 -8 155.25 8.69
14 10 -8 165.75 8.99
14 10 -9 90.97 6.25
14 10 -9 92.94 6.73
14 10 -9 96.52 6.72
14 10 -10 56.17 4.81
14 10 -10 62.08 5.31
14 10 -10 67.30 5.35
14 10 -11 77.43 5.61
14 10 -11 82.22 5.48
14 10 -11 90.09 5.67
14 10 -12 152.15 6.77
14 10 -12 148.59 4.01
14 10 -12 144.84 6.83
14 10 -12 158.98 6.76
14 10 -13 18.04 2.14
14 10 -13 16.40 2.04
14 10 -13 19.39 2.12
14 10 -14 171.35 5.21
14 10 -14 163.53 5.14
14 8 15 48.49 2.60
14 8 15 52.72 3.07
14 8 14 259.72 7.02
14 8 14 273.87 8.51
14 8 13 25.90 2.60
14 8 13 23.70 2.86
14 8 13 26.91 2.33
14 8 12 185.56 7.41
14 8 12 169.94 8.58
14 8 12 176.12 6.70
14 8 11 1.01 0.87
14 8 11 0.22 1.11
14 8 11 0.27 0.99
14 8 11 0.76 0.82
14 8 10 97.67 6.05
14 8 10 108.40 5.53
14 8 10 91.80 6.89
14 8 10 99.52 6.20
14 8 10 103.88 5.88
14 8 9 17.40 2.70
14 8 9 22.19 2.77
14 8 9 17.78 2.95
14 8 9 18.22 2.76
14 8 9 19.83 2.78
14 8 8 83.73 5.84
14 8 8 101.34 5.99
14 8 8 97.31 7.06
14 8 8 104.78 7.27
14 8 8 98.29 6.08
14 8 7 286.79 10.12
14 8 7 269.88 11.39
14 8 7 299.91 12.96
14 8 7 297.47 10.47
14 8 6 212.77 9.20
14 8 6 215.96 8.78
14 8 6 245.70 9.41
14 8 6 222.97 10.01
14 8 6 241.86 12.18
14 8 6 229.10 9.16
14 8 5 81.82 5.53
14 8 5 88.39 5.90
14 8 5 86.38 5.66
14 8 5 87.86 5.98
14 8 5 91.59 7.77
14 8 5 91.41 5.82
14 8 5 101.10 6.81
14 8 4 181.61 8.90
14 8 4 166.20 7.69
14 8 4 173.00 8.54
14 8 4 165.93 7.82
14 8 4 171.67 7.90
14 8 4 148.57 10.01
14 8 4 178.18 8.02
14 8 3 170.03 8.46
14 8 3 148.40 6.89
14 8 3 171.10 8.58
14 8 3 138.12 7.14
14 8 3 160.52 7.29
14 8 3 131.07 9.11
14 8 3 148.55 7.37
14 8 2 310.82 11.47
14 8 2 288.09 12.98
14 8 2 303.72 10.55
14 8 1 461.49 15.50
14 8 1 441.70 12.76
14 8 0 576.00 14.62
14 8 0 603.52 16.25
14 8 0 584.68 15.83
14 8 -1 415.65 13.26
14 8 -1 410.53 11.35
14 8 -1 421.26 13.11
14 8 -1 438.19 12.25
14 8 -1 426.80 13.86
14 8 -2 237.00 10.19
14 8 -2 259.36 10.65
14 8 -2 242.49 10.49
14 8 -2 240.98 8.56
14 8 -3 155.41 8.38
14 8 -3 161.51 8.59
14 8 -3 162.33 8.73
14 8 -3 155.10 7.48
14 8 -4 149.95 8.19
14 8 -4 141.30 8.24
14 8 -4 150.90 8.53
14 8 -4 166.80 8.37
14 8 -5 62.96 5.37
14 8 -5 72.11 5.82
14 8 -5 70.59 5.76
14 8 -5 72.38 6.16
14 8 -6 231.78 9.31
14 8 -6 214.14 9.93
14 8 -6 229.91 10.06
14 8 -6 225.18 10.57
14 8 -6 233.44 11.11
14 8 -7 223.66 9.78
14 8 -7 197.89 9.46
14 8 -7 228.81 9.71
14 8 -7 222.47 11.14
14 8 -7 203.61 10.25
14 8 -8 112.75 8.15
14 8 -8 114.12 7.33
14 8 -8 100.84 6.56
14 8 -8 116.95 6.51
14 8 -8 105.55 7.50
14 8 -9 39.79 4.40
14 8 -9 44.30 4.14
14 8 -9 34.32 4.58
14 8 -9 34.97 4.32
14 8 -10 120.53 7.61
14 8 -10 140.40 6.59
14 8 -10 127.38 8.65
14 8 -10 147.48 8.45
14 8 -11 3.56 1.31
14 8 -11 6.47 2.44
14 8 -11 6.37 1.80
14 8 -12 162.06 8.71
14 8 -12 176.15 8.28
14 8 -12 192.73 8.43
14 8 -13 13.89 2.24
14 8 -13 11.42 2.32
14 8 -13 15.09 2.28
14 8 -14 270.73 8.20
14 8 -14 285.18 9.10
14 8 -14 283.98 8.08
14 8 -15 72.57 3.58
14 8 -15 73.54 3.86
14 8 -15 72.58 3.44
14 6 16 51.63 3.20
14 6 16 46.08 2.31
14 6 15 55.89 3.13
14 6 15 59.96 4.22
14 6 14 92.20 4.58
14 6 14 101.81 6.40
14 6 13 64.45 4.18
14 6 13 65.72 5.76
14 6 13 67.07 3.89
14 6 12 284.64 9.48
14 6 12 249.58 12.05
14 6 12 264.18 8.65
14 6 12 301.84 8.54
14 6 11 5.86 2.49
14 6 11 8.17 1.72
14 6 11 8.37 1.84
14 6 11 9.66 2.10
14 6 11 11.03 2.02
14 6 10 463.48 13.24
14 6 10 493.29 13.46
14 6 10 459.74 13.61
14 6 10 456.46 13.26
14 6 9 25.39 3.28
14 6 9 31.27 3.58
14 6 9 32.54 4.52
14 6 9 31.82 2.88
14 6 9 25.60 3.48
14 6 9 23.02 3.11
14 6 9 27.76 3.51
14 6 8 219.42 9.28
14 6 8 226.64 9.01
14 6 8 265.03 10.20
14 6 8 231.67 11.75
14 6 8 252.60 8.87
14 6 8 254.88 11.38
14 6 8 221.94 9.80
14 6 8 274.12 10.71
14 6 7 347.81 11.43
14 6 7 340.95 11.66
14 6 7 393.52 12.41
14 6 7 385.32 14.55
14 6 7 403.29 12.08
14 6 7 417.21 15.19
14 6 7 417.26 12.84
14 6 6 147.10 7.95
14 6 6 112.75 6.34
14 6 6 120.08 7.15
14 6 6 137.96 7.32
14 6 6 134.03 8.31
14 6 6 138.19 7.50
14 6 6 135.53 8.93
14 6 6 137.83 7.33
14 6 5 119.46 7.15
14 6 5 96.93 6.50
14 6 5 102.57 6.31
14 6 5 101.28 6.98
14 6 5 107.44 6.84
14 6 5 98.84 7.96
14 6 5 104.61 6.40
14 6 4 352.21 12.11
14 6 4 330.65 11.98
14 6 4 327.15 11.15
14 6 4 329.99 11.94
14 6 4 332.49 12.20
14 6 4 294.65 22.38
14 6 4 298.04 13.58
14 6 4 366.52 13.17
14 6 4 342.55 11.43
14 6 3 77.45 5.69
14 6 3 71.08 5.46
14 6 3 66.69 5.00
14 6 3 68.93 3.96
14 6 3 74.78 5.51
14 6 3 68.64 5.60
14 6 3 65.39 6.37
14 6 3 85.55 6.78
14 6 3 71.06 5.31
14 6 2 685.76 16.62
14 6 2 696.69 16.75
-14 6 -2 613.76 25.03
14 6 2 671.64 13.37
14 6 2 676.78 16.13
14 6 2 690.31 17.32
14 6 2 654.77 35.43
14 6 2 668.37 19.07
14 6 2 746.69 20.19
14 6 2 662.78 15.91
14 6 1 609.24 15.69
14 6 1 647.68 16.05
-14 6 -1 582.12 26.02
14 6 1 580.30 13.53
14 6 1 630.33 14.99
14 6 1 660.46 17.34
14 6 1 662.93 16.54
14 6 1 596.56 33.99
14 6 1 652.45 17.66
14 6 1 658.99 19.57
14 6 0 226.72 9.70
14 6 0 271.15 10.38
-14 6 0 241.66 18.53
14 6 0 237.05 9.22
14 6 0 258.70 9.34
14 6 0 259.38 10.84
14 6 0 249.45 9.93
14 6 0 262.83 22.85
14 6 0 254.01 10.06
14 6 0 259.15 12.34
14 6 0 242.68 8.52
14 6 -1 563.29 14.93
14 6 -1 497.51 14.52
-14 6 1 543.19 29.64
14 6 -1 502.84 14.13
14 6 -1 534.24 13.08
14 6 -1 510.57 15.21
14 6 -1 536.80 14.02
14 6 -1 502.40 30.52
14 6 -1 495.57 12.72
14 6 -1 550.02 17.83
14 6 -2 714.05 17.71
-14 6 2 756.28 36.62
14 6 -2 719.12 17.53
14 6 -2 797.72 15.60
14 6 -2 743.39 16.07
14 6 -2 746.84 37.05
14 6 -2 739.28 18.49
14 6 -2 793.47 20.72
14 6 -3 57.54 5.14
-14 6 3 49.36 9.19
14 6 -3 47.97 4.66
14 6 -3 51.61 4.97
14 6 -3 64.98 10.52
14 6 -3 60.06 4.62
14 6 -3 66.66 5.91
14 6 -3 57.15 4.29
14 6 -4 328.54 12.43
-14 6 4 355.56 25.99
14 6 -4 323.74 12.24
14 6 -4 334.57 12.84
14 6 -4 295.89 22.73
14 6 -4 352.11 12.65
14 6 -4 335.99 11.40
14 6 -5 148.07 8.54
14 6 -5 146.53 8.20
14 6 -5 144.33 8.67
14 6 -5 146.67 8.15
14 6 -6 137.84 8.30
14 6 -6 156.76 8.34
14 6 -6 147.03 9.05
14 6 -7 304.24 12.53
14 6 -7 340.32 11.81
14 6 -7 318.29 10.60
14 6 -7 306.82 13.41
14 6 -8 206.28 10.20
14 6 -8 203.79 9.13
14 6 -9 11.93 2.30
14 6 -9 8.73 1.82
14 6 -9 7.77 1.96
14 6 -10 463.25 14.26
14 6 -10 466.25 11.91
14 6 -10 434.66 13.65
14 6 -10 471.93 15.62
14 6 -11 25.96 3.07
14 6 -11 29.68 2.79
14 6 -11 31.69 3.57
14 6 -11 32.68 4.01
14 6 -12 276.46 9.03
14 6 -12 292.50 11.18
14 6 -13 61.07 3.45
14 6 -13 64.47 4.10
14 6 -13 58.55 4.64
14 6 -14 105.18 4.67
14 6 -14 111.44 5.76
14 6 -15 60.36 4.21
14 6 -15 58.74 2.87
14 6 -15 65.91 3.88
14 6 -16 59.11 3.08
14 6 -16 59.19 3.37
14 6 -16 60.06 3.06
14 4 17 85.28 3.74
14 4 16 40.77 3.29
14 4 16 40.39 2.20
14 4 15 43.00 2.89
14 4 15 44.38 4.04
14 4 14 189.83 6.77
14 4 14 208.91 10.03
14 4 13 57.08 4.02
14 4 13 60.21 6.00
14 4 13 61.10 3.78
14 4 12 166.59 7.23
14 4 12 146.20 10.00
14 4 12 163.71 7.00
14 4 11 60.84 4.57
14 4 11 62.85 4.22
14 4 11 62.14 4.99
14 4 11 47.37 6.05
14 4 11 62.05 4.70
14 4 11 62.07 4.87
14 4 10 95.39 5.82
14 4 10 99.11 5.95
14 4 10 100.15 6.58
14 4 10 78.94 7.65
14 4 10 93.92 6.22
14 4 10 84.84 5.90
14 4 9 52.18 4.36
14 4 9 47.45 4.06
14 4 9 52.06 4.65
14 4 9 54.46 5.04
14 4 9 52.15 6.21
14 4 9 53.96 3.92
14 4 9 48.53 4.71
14 4 9 52.95 5.03
14 4 9 52.93 4.86
14 4 8 304.64 11.38
14 4 8 285.92 9.69
14 4 8 317.00 11.57
14 4 8 289.80 13.68
14 4 8 291.81 9.79
14 4 8 297.46 12.14
14 4 8 266.53 10.86
14 4 8 300.33 11.44
14 4 7 22.75 3.42
14 4 7 22.98 3.33
14 4 7 22.22 3.05
14 4 7 24.77 3.99
14 4 7 24.51 3.00
14 4 7 24.11 3.77
14 4 7 21.16 3.12
14 4 7 24.96 2.81
14 4 7 21.91 3.10
14 4 6 275.20 10.30
14 4 6 236.61 10.62
14 4 6 234.65 10.38
14 4 6 253.09 10.11
14 4 6 254.85 11.70
14 4 6 241.70 9.88
14 4 6 257.70 12.09
14 4 6 244.79 9.42
14 4 6 247.29 10.03
14 4 5 105.63 7.20
14 4 5 116.85 6.68
14 4 5 100.43 6.82
14 4 5 114.72 6.75
14 4 5 111.07 7.40
14 4 5 108.24 6.77
14 4 5 116.35 8.19
14 4 5 112.89 6.76
14 4 5 117.37 6.78
14 4 4 161.27 8.67
14 4 4 168.66 8.03
14 4 4 168.33 8.49
14 4 4 155.82 7.70
14 4 4 157.76 8.64
14 4 4 146.41 8.00
14 4 4 141.08 9.05
14 4 4 168.47 8.63
14 4 4 158.77 7.93
14 4 3 555.83 15.83
14 4 3 551.36 14.70
14 4 3 504.06 14.42
14 4 3 482.54 13.36
14 4 3 505.35 14.96
14 4 3 498.34 14.53
14 4 3 427.10 26.87
14 4 3 482.97 16.49
14 4 3 554.10 16.44
14 4 3 517.31 14.09
14 4 2 276.19 10.41
14 4 2 260.32 10.18
-14 4 -2 266.62 17.04
14 4 2 254.87 7.87
14 4 2 265.82 10.67
14 4 2 271.95 10.47
14 4 2 245.33 21.10
14 4 2 246.75 11.33
14 4 2 289.10 10.33
14 4 2 275.19 11.98
14 4 2 265.87 10.16
14 4 1 259.54 10.16
14 4 1 264.43 10.18
-14 4 -1 256.70 18.48
14 4 1 248.98 8.34
14 4 1 269.69 10.47
14 4 1 272.33 11.15
14 4 1 264.42 10.04
14 4 1 268.21 22.50
14 4 1 267.06 10.74
14 4 1 265.02 9.86
14 4 1 271.34 12.22
-14 4 0 221.38 18.32
14 4 0 234.69 9.39
14 4 0 215.91 9.43
14 4 0 214.87 8.43
14 4 0 228.97 9.52
14 4 0 235.19 10.34
14 4 0 219.02 8.87
14 4 0 238.50 21.59
14 4 0 223.52 9.15
14 4 0 226.84 9.12
14 4 0 215.85 11.08
14 4 0 219.78 8.52
14 4 -1 194.46 9.34
-14 4 1 201.20 18.73
14 4 -1 201.41 8.68
14 4 -1 194.06 9.00
14 4 -1 190.52 8.51
14 4 -1 201.37 8.68
14 4 -1 187.15 7.97
14 4 -1 179.87 7.67
14 4 -1 198.97 19.68
14 4 -1 198.53 8.55
14 4 -1 188.63 7.63
14 4 -1 206.61 10.65
-14 4 2 234.09 20.96
14 4 -2 268.50 10.14
14 4 -2 246.12 10.21
14 4 -2 237.47 9.94
14 4 -2 265.05 9.81
14 4 -2 242.13 10.59
14 4 -2 249.67 8.95
14 4 -2 235.71 7.99
14 4 -2 248.91 21.81
14 4 -2 253.66 9.49
14 4 -2 252.46 8.54
14 4 -2 260.94 11.53
-14 4 3 485.11 31.01
14 4 -3 523.13 14.31
14 4 -3 457.26 14.26
14 4 -3 434.68 13.82
14 4 -3 508.95 13.66
14 4 -3 438.72 14.33
14 4 -3 451.80 11.55
14 4 -3 451.13 12.51
14 4 -3 497.60 15.36
-14 4 4 158.71 17.74
14 4 -4 175.57 9.06
14 4 -4 163.72 8.57
14 4 -4 167.71 6.85
14 4 -4 164.69 7.41
14 4 -4 168.37 8.63
14 4 -4 169.37 9.01
-14 4 5 173.60 17.69
14 4 -5 158.02 8.80
14 4 -5 157.61 8.34
14 4 -5 158.86 9.02
14 4 -5 169.57 6.68
14 4 -5 153.19 6.96
14 4 -5 164.85 8.14
-14 4 6 317.35 24.16
14 4 -6 305.29 11.43
14 4 -6 286.17 12.43
14 4 -6 299.15 10.25
14 4 -7 70.25 5.35
14 4 -7 57.07 4.56
14 4 -7 68.30 4.68
14 4 -8 315.45 10.97
14 4 -8 277.95 10.78
14 4 -9 69.88 4.97
14 4 -9 65.46 5.50
14 4 -10 60.62 4.44
14 4 -10 64.25 5.33
14 4 -11 106.65 5.49
14 4 -11 113.07 6.89
14 4 -12 133.52 5.68
14 4 -12 136.83 7.39
14 4 -12 135.89 6.93
14 4 -13 52.28 4.18
14 4 -13 49.63 2.92
14 4 -13 52.58 4.36
14 4 -13 55.22 4.23
14 4 -14 195.35 6.73
14 4 -14 193.88 7.71
14 4 -14 199.67 7.32
14 4 -15 34.53 2.15
14 4 -15 31.77 2.58
14 4 -15 30.16 2.90
14 4 -16 43.87 3.19
14 4 -16 42.59 2.39
14 4 -16 44.44 2.97
14 4 -17 80.13 3.38
14 4 -17 84.20 3.14
14 2 17 18.20 1.84
14 2 16 53.53 3.88
14 2 15 52.29 4.63
14 2 15 50.77 3.13
14 2 14 169.12 6.27
14 2 14 196.96 10.14
14 2 13 80.69 4.67
14 2 13 92.58 4.65
14 2 13 87.36 4.51
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14 2 11 95.53 5.44
14 2 11 88.43 5.13
14 2 11 83.59 5.42
14 2 11 97.81 6.23
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14 2 10 29.50 4.00
14 2 10 25.03 4.65
14 2 10 25.59 2.56
14 2 10 26.38 3.37
14 2 10 24.29 3.21
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14 2 9 156.91 8.64
14 2 9 155.18 10.52
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14 2 9 146.33 8.07
14 2 9 164.76 8.79
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14 2 8 137.82 8.07
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14 2 7 41.53 4.57
14 2 7 56.05 4.89
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14 2 7 46.82 4.66
14 2 7 52.59 4.00
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14 2 6 17.08 3.13
14 2 6 25.83 3.29
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14 2 6 19.61 3.42
14 2 6 17.97 3.11
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14 2 5 142.58 6.71
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14 2 5 129.80 8.16
14 2 5 122.95 8.20
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14 2 5 134.11 7.23
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14 -4 5 180.83 18.55
14 -4 5 175.86 7.38
14 -4 5 172.44 17.98
14 -4 5 164.66 9.00
14 -4 5 176.30 7.63
14 -4 5 140.94 8.53
14 -4 5 164.98 8.29
14 -4 4 169.49 8.86
14 -4 4 182.26 8.93
14 -4 4 167.61 15.23
14 -4 4 175.71 8.84
14 -4 4 165.12 9.36
14 -4 4 173.45 19.19
14 -4 4 167.51 7.34
14 -4 4 199.19 20.13
14 -4 4 174.30 9.05
14 -4 4 181.17 7.40
14 -4 4 159.97 8.90
14 -4 3 472.30 15.59
14 -4 3 466.89 13.61
14 -4 3 462.27 25.54
14 -4 3 452.80 13.99
14 -4 3 460.90 15.31
14 -4 3 494.09 32.69
14 -4 3 451.65 12.06
14 -4 3 496.10 32.06
14 -4 3 495.52 17.01
14 -4 3 470.42 14.74
14 -4 3 439.73 10.96
14 -4 3 465.13 14.87
14 -4 2 238.21 11.51
14 -4 2 239.90 9.71
14 -4 2 270.35 9.75
14 -4 2 247.15 18.54
14 -4 2 248.45 10.24
14 -4 2 268.38 11.29
14 -4 2 222.06 21.70
14 -4 2 240.48 8.94
14 -4 2 252.30 22.86
14 -4 2 260.47 12.03
14 -4 2 261.07 10.77
14 -4 2 240.63 7.82
14 -4 2 249.73 10.60
14 -4 1 172.71 9.96
14 -4 1 190.42 8.20
14 -4 1 199.65 8.12
14 -4 1 192.92 16.71
14 -4 1 200.23 9.20
14 -4 1 192.17 20.00
14 -4 1 161.89 17.89
14 -4 1 191.15 9.92
14 -4 1 207.74 9.52
14 -4 1 182.41 6.76
14 -4 1 185.38 8.97
14 -4 0 195.68 10.83
14 -4 0 218.12 8.36
14 -4 0 214.81 17.73
14 -4 0 234.03 9.91
14 -4 0 211.18 18.82
14 -4 0 217.41 19.48
14 -4 0 224.59 9.86
14 -4 0 244.67 10.19
14 -4 0 224.36 9.54
14 -4 -1 238.98 11.66
14 -4 -1 250.37 8.55
14 -4 -1 239.03 8.25
14 -4 -1 243.69 18.93
14 -4 -1 281.69 10.94
14 -4 -1 246.75 19.17
14 -4 -1 249.10 19.01
14 -4 -1 286.94 11.07
14 -4 -1 261.45 10.05
14 -4 -2 275.34 12.14
14 -4 -2 271.28 8.41
14 -4 -2 271.28 8.46
14 -4 -2 308.53 11.54
14 -4 -2 287.51 18.42
14 -4 -2 257.65 17.45
14 -4 -2 255.04 9.75
14 -4 -3 550.36 16.62
14 -4 -3 556.88 14.13
14 -4 -4 148.98 8.26
14 -4 -4 150.20 7.59
14 -4 -5 103.60 6.54
14 -4 -5 104.96 6.62
14 -4 -5 114.60 6.41
14 -4 -6 232.85 9.93
14 -4 -6 196.33 17.19
14 -4 -6 260.02 9.88
14 -4 -6 224.03 9.01
14 -4 -7 24.69 3.33
14 -4 -7 28.13 3.73
14 -4 -7 25.74 3.33
14 -4 -7 25.46 2.94
14 -4 -8 263.13 10.84
14 -4 -8 288.70 11.54
14 -4 -8 292.41 11.03
14 -4 -9 50.03 4.78
14 -4 -9 50.82 4.86
14 -4 -9 44.65 4.74
14 -4 -9 53.74 4.77
14 -4 -10 102.49 6.76
14 -4 -10 98.57 6.62
14 -4 -10 90.77 6.78
14 -4 -10 91.57 6.10
14 -4 -11 63.31 5.21
14 -4 -11 59.79 4.98
14 -4 -11 63.76 5.55
14 -4 -11 60.30 4.86
14 -4 -12 188.91 8.57
14 -4 -12 177.94 8.29
14 -4 -12 174.78 8.01
14 -4 -12 173.82 8.67
14 -4 -13 60.73 4.61
14 -4 -13 59.14 4.49
14 -4 -13 63.57 4.99
-14 -4 13 62.72 4.34
14 -4 -14 201.66 7.75
14 -4 -14 197.57 7.59
14 -4 -14 200.33 8.14
-14 -4 14 207.25 7.12
14 -4 -15 48.15 3.49
14 -4 -15 44.52 3.50
-14 -4 15 49.44 3.06
14 -4 -16 45.81 3.02
-14 -4 16 37.44 2.12
14 -4 -17 91.59 3.53
14 -6 16 58.54 3.23
14 -6 15 62.49 2.86
14 -6 15 64.01 4.08
14 -6 14 101.97 4.69
14 -6 14 108.35 5.41
14 -6 14 106.60 6.03
14 -6 14 114.83 5.93
14 -6 13 60.00 4.19
14 -6 13 53.45 4.27
14 -6 13 64.49 5.19
14 -6 13 64.75 5.16
14 -6 12 249.53 10.02
14 -6 12 264.87 11.30
14 -6 12 235.21 10.62
14 -6 11 21.72 3.21
14 -6 11 27.91 3.95
14 -6 11 22.26 3.55
14 -6 11 32.48 2.87
14 -6 10 448.85 13.31
14 -6 10 433.54 15.23
14 -6 10 466.65 12.41
14 -6 9 9.17 2.16
14 -6 9 8.81 1.75
14 -6 9 9.81 2.65
14 -6 9 11.15 2.41
14 -6 9 9.35 1.96
14 -6 8 244.26 10.53
14 -6 8 224.02 10.82
14 -6 8 260.02 10.99
14 -6 8 248.19 10.07
14 -6 8 239.61 10.71
14 -6 7 346.11 12.34
14 -6 7 318.14 12.18
14 -6 7 325.73 12.11
14 -6 7 306.34 12.71
14 -6 7 309.75 10.10
14 -6 6 142.47 7.41
14 -6 6 149.11 7.95
14 -6 6 147.04 7.71
14 -6 6 142.23 8.19
14 -6 6 128.34 8.44
14 -6 5 146.43 8.00
14 -6 5 142.93 7.72
14 -6 5 153.42 6.34
14 -6 5 146.77 8.39
14 -6 5 124.46 8.42
14 -6 4 328.17 12.76
14 -6 4 352.82 21.12
14 -6 4 339.41 11.62
14 -6 4 343.54 9.98
14 -6 4 383.07 27.96
14 -6 4 340.63 25.81
14 -6 4 344.50 12.83
14 -6 4 317.60 13.06
14 -6 3 60.96 5.88
14 -6 3 61.64 5.13
14 -6 3 66.91 9.18
14 -6 3 54.80 4.67
14 -6 3 57.74 4.21
14 -6 3 52.29 10.41
14 -6 3 54.25 5.23
14 -6 3 67.87 12.30
14 -6 3 54.71 5.30
14 -6 2 754.15 21.07
14 -6 2 730.67 31.66
14 -6 2 757.42 17.10
14 -6 2 702.92 38.24
14 -6 2 762.59 40.53
14 -6 2 738.63 18.61
14 -6 1 478.15 17.34
14 -6 1 528.89 27.27
14 -6 1 526.03 14.21
14 -6 1 487.76 31.21
14 -6 1 504.38 32.48
14 -6 1 503.12 14.92
14 -6 0 204.67 11.45
14 -6 0 236.99 8.63
14 -6 0 279.17 10.44
14 -6 0 250.02 21.44
14 -6 0 224.19 20.82
14 -6 0 240.69 9.96
14 -6 -1 582.13 18.91
14 -6 -1 616.57 12.89
14 -6 -1 593.15 30.99
14 -6 -1 556.33 29.46
14 -6 -1 586.25 15.16
14 -6 -2 705.48 20.06
14 -6 -2 646.00 15.51
14 -6 -3 72.55 6.14
14 -6 -3 61.29 8.98
14 -6 -3 68.33 4.96
14 -6 -4 322.49 12.41
14 -6 -4 296.44 19.86
14 -6 -4 353.84 11.28
14 -6 -5 100.06 6.53
14 -6 -5 88.44 6.16
14 -6 -5 97.57 11.96
14 -6 -5 105.59 5.97
14 -6 -6 122.98 6.91
14 -6 -6 115.76 7.10
14 -6 -7 351.73 12.64
14 -6 -7 367.54 11.15
14 -6 -8 226.11 10.25
14 -6 -9 22.24 3.28
14 -6 -9 27.06 3.63
14 -6 -9 33.64 4.02
14 -6 -9 29.51 3.52
14 -6 -10 466.16 14.37
14 -6 -10 486.11 14.52
14 -6 -10 482.71 14.82
14 -6 -10 483.19 13.78
14 -6 -11 9.70 2.23
14 -6 -11 10.26 2.26
14 -6 -11 6.54 1.71
14 -6 -11 11.40 2.14
14 -6 -12 302.36 10.63
14 -6 -12 284.27 10.30
14 -6 -12 284.68 10.39
14 -6 -12 288.90 9.94
14 -6 -13 71.68 4.81
14 -6 -13 67.17 4.64
14 -6 -13 64.83 4.47
14 -6 -13 63.21 4.57
14 -6 -14 102.48 5.17
14 -6 -14 97.57 5.07
14 -6 -14 102.51 5.29
14 -6 -15 61.58 3.66
14 -6 -15 55.86 3.45
14 -6 -16 50.76 2.85
14 -8 15 69.69 2.69
14 -8 15 75.67 3.83
14 -8 14 266.33 6.99
14 -8 14 277.09 8.63
14 -8 13 12.17 2.17
14 -8 12 184.01 8.82
14 -8 12 175.59 5.42
14 -8 11 5.43 1.24
14 -8 11 5.21 2.03
14 -8 10 107.92 7.51
14 -8 10 141.11 6.95
14 -8 9 34.00 4.29
14 -8 9 40.55 4.18
14 -8 8 109.50 7.45
14 -8 8 116.01 7.72
14 -8 7 217.69 8.45
14 -8 7 208.27 9.98
14 -8 7 225.44 11.31
14 -8 6 223.55 9.33
14 -8 6 233.60 10.15
14 -8 5 71.71 5.74
14 -8 5 69.85 5.23
14 -8 5 67.00 6.43
14 -8 4 156.77 8.91
14 -8 4 155.37 7.22
14 -8 4 149.59 9.32
14 -8 3 166.89 9.72
14 -8 3 157.63 6.52
14 -8 3 153.02 9.04
14 -8 2 257.72 12.80
14 -8 2 250.80 11.24
14 -8 1 396.26 16.46
14 -8 1 423.16 13.93
14 -8 0 564.51 12.67
14 -8 0 564.85 15.38
14 -8 -1 440.97 17.21
14 -8 -1 456.84 11.86
14 -8 -1 457.44 13.41
14 -8 -2 321.36 14.22
14 -8 -2 304.34 9.93
14 -8 -2 316.52 10.76
14 -8 -3 159.22 9.37
14 -8 -3 152.44 7.40
14 -8 -3 150.48 7.32
14 -8 -4 168.00 9.14
14 -8 -4 160.27 7.92
14 -8 -4 175.62 7.75
14 -8 -5 93.46 6.44
14 -8 -5 95.09 5.54
14 -8 -6 211.11 9.05
14 -8 -6 215.87 9.75
14 -8 -7 252.68 9.34
14 -8 -7 278.10 11.21
14 -8 -8 96.67 6.69
14 -8 -8 92.84 5.03
14 -8 -9 20.93 3.10
14 -8 -10 108.53 6.79
14 -8 -10 107.33 6.65
14 -8 -10 107.98 6.33
14 -8 -10 113.35 6.45
14 -8 -11 -0.10 1.06
14 -8 -11 -0.02 0.97
14 -8 -11 1.63 1.32
14 -8 -11 0.08 1.04
14 -8 -12 204.34 8.15
14 -8 -12 193.45 7.64
14 -8 -12 183.19 7.39
14 -8 -12 192.53 7.90
14 -8 -13 28.17 2.75
14 -8 -13 30.26 2.87
14 -8 -13 32.78 2.96
14 -8 -13 30.95 2.84
14 -8 -14 275.94 7.52
14 -8 -14 270.60 7.58
14 -8 -14 264.17 7.23
14 -8 -15 53.95 2.97
14 -8 -15 47.13 2.51
14 -8 -16 46.79 2.19
14 -10 14 157.33 4.56
14 -10 14 166.33 5.46
14 -10 13 19.44 2.27
14 -10 12 151.39 7.01
14 -10 12 140.42 4.54
14 -10 11 83.93 5.73
14 -10 11 83.87 4.45
14 -10 10 57.19 4.98
14 -10 10 70.41 4.74
14 -10 9 90.88 6.58
14 -10 9 105.76 6.56
14 -10 8 146.67 8.30
14 -10 8 174.57 9.38
14 -10 7 29.62 2.98
14 -10 7 28.72 3.62
14 -10 7 27.35 4.18
14 -10 6 79.09 5.37
14 -10 6 96.64 6.51
14 -10 6 84.18 7.22
14 -10 5 95.10 6.45
14 -10 5 104.47 6.51
14 -10 5 89.41 7.60
14 -10 4 152.02 8.79
14 -10 4 150.12 7.48
14 -10 4 140.90 9.19
14 -10 3 127.49 8.65
14 -10 3 129.80 6.55
14 -10 3 117.36 7.97
14 -10 2 425.88 11.97
14 -10 2 439.56 14.83
14 -10 1 180.18 7.85
14 -10 1 175.92 8.99
14 -10 0 364.22 11.49
14 -10 0 365.83 12.33
14 -10 -1 160.40 7.70
14 -10 -1 174.16 8.19
14 -10 -2 416.33 12.69
14 -10 -2 424.61 12.25
14 -10 -3 94.38 6.06
14 -10 -3 104.77 5.94
14 -10 -4 142.75 8.47
14 -10 -4 145.65 7.68
14 -10 -4 150.87 6.81
14 -10 -5 107.46 6.84
14 -10 -5 103.70 6.59
14 -10 -5 122.26 5.67
14 -10 -6 126.38 6.85
14 -10 -6 127.35 7.40
14 -10 -7 31.47 3.26
14 -10 -7 27.57 3.51
14 -10 -8 197.40 6.95
14 -10 -8 194.32 8.98
14 -10 -9 93.68 6.20
-14 -10 9 86.42 5.22
14 -10 -10 60.64 4.78
14 -10 -10 65.20 4.83
-14 -10 10 55.82 4.27
14 -10 -11 115.49 6.00
14 -10 -11 120.60 5.09
14 -10 -11 104.82 5.45
-14 -10 11 105.67 5.72
14 -10 -11 108.07 5.84
14 -10 -12 140.38 5.91
14 -10 -12 135.15 4.88
14 -10 -12 140.03 5.80
-14 -10 12 130.95 5.78
14 -10 -12 140.26 5.99
14 -10 -13 19.41 1.95
14 -10 -13 19.91 2.05
14 -10 -13 18.98 1.62
14 -10 -13 18.00 1.87
-14 -10 13 14.65 1.73
14 -10 -14 173.18 4.83
14 -10 -14 176.04 5.06
-14 -10 14 161.92 4.48
14 -12 13 70.31 2.93
14 -12 13 73.47 3.19
14 -12 12 83.78 4.20
14 -12 12 77.44 2.62
14 -12 11 64.23 4.23
14 -12 11 64.05 3.41
14 -12 10 31.12 3.29
14 -12 10 33.37 2.95
14 -12 9 123.53 6.76
14 -12 9 157.47 7.35
14 -12 8 51.36 4.53
14 -12 8 55.14 4.91
14 -12 7 66.48 4.02
14 -12 7 68.75 5.25
14 -12 7 75.60 6.25
14 -12 6 21.52 3.67
14 -12 6 25.35 2.87
14 -12 6 25.49 3.26
14 -12 5 67.07 5.05
14 -12 5 67.12 5.05
14 -12 5 52.64 4.04
14 -12 5 51.51 5.45
14 -12 4 95.31 6.67
14 -12 4 94.06 5.86
14 -12 4 87.76 5.58
14 -12 4 94.65 7.19
14 -12 3 18.36 3.34
14 -12 3 16.58 2.49
14 -12 3 11.82 2.06
14 -12 2 258.95 8.73
14 -12 2 234.77 9.47
14 -12 2 243.73 10.67
14 -12 1 98.66 6.14
14 -12 1 99.29 6.54
14 -12 0 27.15 3.14
14 -12 0 32.27 3.60
14 -12 -1 99.57 6.14
14 -12 -1 92.98 5.65
14 -12 -2 239.13 9.55
14 -12 -2 242.68 8.66
14 -12 -3 25.87 3.23
14 -12 -3 25.15 2.57
14 -12 -4 90.77 6.50
14 -12 -4 87.42 5.79
14 -12 -5 49.62 4.46
14 -12 -5 57.86 4.79
14 -12 -6 21.30 2.71
14 -12 -6 24.04 3.15
14 -12 -7 98.59 5.06
14 -12 -7 98.80 6.11
14 -12 -8 55.57 4.45
14 -12 -9 180.25 7.58
14 -12 -10 38.15 3.20
14 -12 -10 35.39 3.08
14 -12 -10 40.00 3.19
14 -12 -11 74.52 3.92
14 -12 -11 78.21 3.98
-14 -12 11 72.97 3.28
14 -12 -11 72.24 4.03
14 -12 -12 80.80 3.51
14 -12 -12 76.23 3.57
14 -12 -12 81.15 3.61
14 -12 -13 74.96 2.78
14 -12 -13 78.13 2.97
14 -14 11 61.91 2.77
14 -14 11 56.88 2.69
14 -14 10 9.98 1.32
14 -14 10 5.64 1.14
14 -14 9 68.24 4.04
14 -14 9 86.01 4.40
14 -14 8 3.60 1.48
14 -14 8 1.98 1.16
14 -14 7 97.81 3.67
14 -14 7 92.34 5.21
14 -14 7 95.03 5.92
14 -14 6 9.14 2.25
14 -14 6 8.02 1.40
14 -14 6 9.76 1.81
14 -14 6 12.21 1.72
14 -14 5 57.95 4.16
14 -14 5 61.11 4.33
14 -14 5 54.01 3.96
14 -14 5 54.71 4.97
14 -14 4 61.21 4.86
14 -14 4 55.65 4.31
14 -14 4 61.39 5.18
14 -14 3 47.84 4.83
14 -14 3 42.33 3.82
14 -14 3 45.19 4.30
14 -14 2 100.25 5.87
14 -14 2 96.02 6.00
14 -14 1 23.90 2.94
14 -14 1 24.52 2.91
14 -14 0 93.06 5.66
14 -14 0 93.68 5.20
14 -14 -1 7.94 1.41
14 -14 -1 7.69 1.78
14 -14 -2 70.80 4.94
14 -14 -2 67.25 3.74
14 -14 -3 49.48 4.74
14 -14 -3 48.74 4.13
14 -14 -4 62.05 4.85
14 -14 -4 55.28 4.26
14 -14 -5 70.82 4.67
14 -14 -5 65.51 4.62
14 -14 -6 14.57 2.14
14 -14 -6 16.35 1.99
14 -14 -7 93.77 3.83
14 -14 -7 86.87 4.95
14 -14 -8 3.57 1.10
14 -14 -9 56.06 3.38
14 -14 -10 6.82 1.15
14 -14 -10 5.18 0.98
14 -14 -10 5.58 1.01
14 -14 -11 43.72 2.21
14 -14 -11 49.83 2.20
14 -16 8 42.88 2.44
14 -16 7 91.98 4.16
14 -16 6 26.10 2.49
14 -16 5 21.84 1.83
14 -16 5 19.81 1.76
14 -16 5 17.87 2.23
14 -16 4 71.99 4.03
14 -16 4 62.93 3.95
14 -16 3 34.86 3.23
14 -16 3 27.92 2.62
14 -16 3 30.96 2.77
14 -16 2 95.54 4.97
14 -16 2 89.55 4.45
14 -16 1 3.12 0.88
14 -16 1 5.29 1.75
14 -16 1 5.61 1.32
14 -16 0 146.25 7.70
14 -16 0 150.50 6.36
14 -16 0 153.89 4.68
14 -16 -1 3.30 1.63
14 -16 -1 1.48 1.00
14 -16 -2 103.67 6.00
14 -16 -2 96.21 4.95
14 -16 -3 35.69 3.25
-14 -16 3 28.82 2.10
14 -16 -4 59.76 3.74
14 -16 -4 57.58 3.64
-14 -16 4 52.37 3.06
14 -16 -5 26.77 2.16
14 -16 -5 27.17 2.42
-14 -16 5 26.13 2.24
14 -16 -6 31.03 2.42
-14 -16 6 31.07 2.41
14 -16 -7 62.80 3.05
-14 -16 7 66.20 3.27
-14 -16 8 48.24 2.44
14 -16 -8 47.18 2.42
14 -18 1 5.98 1.02
14 -18 0 11.94 1.37
14 -18 0 9.57 1.33
14 -18 -1 6.58 1.00
14 -18 -1 6.26 1.15
15 15 8 274.32 5.96
15 15 7 88.14 3.45
15 15 7 94.64 4.05
15 15 6 184.97 5.61
15 15 6 182.99 5.20
15 15 5 30.39 2.51
15 15 5 30.02 2.68
15 15 4 72.27 3.96
15 15 4 64.10 3.97
15 15 3 44.77 3.16
15 15 3 42.84 3.17
15 15 2 8.42 1.36
15 15 2 6.47 1.02
15 15 1 25.60 2.48
15 15 1 25.55 2.16
15 15 1 22.42 1.78
15 15 1 23.32 1.90
15 15 0 15.58 1.94
15 15 0 13.46 1.72
15 15 0 13.44 1.51
15 15 -1 34.27 2.71
15 15 -1 34.88 2.85
15 15 -1 32.57 2.50
15 15 -2 17.53 1.81
15 15 -2 22.76 2.37
15 15 -2 18.03 1.95
15 15 -3 49.18 2.77
15 15 -3 55.08 3.70
15 15 -4 102.58 4.87
15 15 -4 106.55 4.94
15 15 -5 36.23 2.78
15 15 -5 34.53 2.80
-15 15 5 31.76 2.10
15 15 -6 228.90 6.25
15 15 -6 202.83 6.45
15 15 -7 110.51 3.80
15 15 -7 98.53 4.21
15 15 -8 245.87 5.82
15 13 10 187.79 4.96
15 13 10 197.76 5.46
15 13 9 24.30 2.13
15 13 9 24.00 2.27
15 13 8 339.07 8.46
15 13 8 323.64 7.43
15 13 7 45.22 3.37
15 13 7 45.44 3.25
15 13 6 268.46 8.48
15 13 6 312.09 10.63
15 13 5 118.77 5.84
15 13 5 127.68 7.13
15 13 4 122.93 5.99
15 13 4 124.98 4.93
15 13 4 108.49 6.73
15 13 3 137.41 6.46
15 13 3 138.31 4.92
15 13 3 136.85 5.59
15 13 3 123.68 7.01
15 13 2 41.37 3.61
15 13 2 41.29 3.05
15 13 2 41.90 3.24
15 13 2 40.60 3.84
15 13 1 79.21 4.91
15 13 1 76.09 4.40
15 13 1 71.80 4.35
15 13 1 71.34 4.74
15 13 0 38.27 3.41
15 13 0 38.25 3.37
15 13 0 43.75 3.28
15 13 -1 59.13 4.09
15 13 -1 65.35 4.64
15 13 -1 63.73 4.24
15 13 -2 46.57 4.05
15 13 -2 46.29 3.74
15 13 -3 115.28 6.38
15 13 -3 114.09 5.91
15 13 -4 117.76 6.35
15 13 -4 119.19 6.23
15 13 -5 104.17 5.82
15 13 -5 105.74 5.91
15 13 -6 301.47 7.67
15 13 -6 324.63 9.43
15 13 -6 298.81 9.82
15 13 -7 52.44 3.26
15 13 -7 59.08 3.77
15 13 -7 52.27 4.04
-15 13 7 47.86 2.63
15 13 -8 314.98 7.46
15 13 -8 328.36 9.58
15 13 -9 28.18 2.06
15 13 -9 29.95 2.08
15 13 -9 28.85 2.67
15 13 -10 183.89 3.77
15 13 -10 204.35 6.23
15 13 -11 18.41 1.58
15 11 12 121.71 3.89
15 11 12 126.23 3.83
15 11 11 23.74 2.09
15 11 11 23.36 2.10
15 11 10 96.11 4.61
15 11 10 91.33 4.72
15 11 10 90.81 3.56
15 11 9 21.63 2.43
15 11 9 20.62 2.64
15 11 9 22.44 2.28
15 11 8 88.41 5.11
15 11 8 91.50 5.82
15 11 8 81.32 4.79
15 11 7 100.05 4.62
15 11 7 101.08 6.67
15 11 6 51.07 4.13
15 11 6 61.04 4.01
15 11 6 59.99 5.56
15 11 5 94.40 5.74
15 11 5 108.40 5.49
15 11 5 103.63 7.45
15 11 4 146.27 7.09
15 11 4 149.64 6.71
15 11 4 135.21 8.63
15 11 4 156.90 6.04
15 11 3 33.94 3.43
15 11 3 34.55 2.88
15 11 3 33.43 3.29
15 11 3 29.45 4.09
15 11 3 36.12 3.00
15 11 2 189.36 7.91
15 11 2 190.88 7.25
15 11 2 186.24 7.80
15 11 2 192.37 9.58
15 11 2 189.29 6.93
15 11 1 247.43 8.98
15 11 1 252.42 10.26
15 11 1 231.60 7.90
15 11 0 20.64 3.07
15 11 0 20.24 2.67
15 11 0 20.29 2.33
15 11 0 26.55 3.11
15 11 0 18.74 2.28
15 11 -1 245.88 10.00
15 11 -1 251.56 8.95
15 11 -1 228.89 7.78
15 11 -1 220.51 7.98
15 11 -2 180.30 8.56
15 11 -2 167.80 7.65
15 11 -2 160.80 7.01
15 11 -3 18.23 2.84
15 11 -3 17.87 2.58
15 11 -3 13.87 2.11
15 11 -4 126.44 6.84
15 11 -4 120.63 6.73
15 11 -4 130.06 7.01
15 11 -5 100.52 5.95
15 11 -5 103.37 6.43
15 11 -5 114.73 6.59
15 11 -6 44.84 3.75
15 11 -6 41.83 3.47
15 11 -6 34.86 3.84
15 11 -6 40.62 4.00
15 11 -7 84.92 4.41
15 11 -7 82.36 5.01
15 11 -7 77.62 5.70
15 11 -7 81.32 5.62
15 11 -8 88.65 5.17
15 11 -8 95.33 5.93
15 11 -8 86.41 5.86
15 11 -8 86.31 5.70
15 11 -9 9.67 1.66
15 11 -9 13.89 2.25
15 11 -9 13.19 2.31
15 11 -10 107.41 5.13
15 11 -10 118.75 4.45
15 11 -10 114.87 6.03
15 11 -10 100.78 5.42
15 11 -11 17.65 1.97
15 11 -11 21.74 1.52
15 11 -11 21.13 2.39
15 11 -11 19.61 2.09
15 11 -12 132.76 4.11
15 11 -12 135.81 5.09
15 11 -12 132.53 4.26
15 11 -13 38.77 2.15
15 9 13 5.48 0.97
15 9 13 7.16 0.96
15 9 13 6.92 1.12
15 9 12 42.83 2.90
15 9 12 40.90 3.19
15 9 12 38.65 2.72
15 9 11 88.37 4.57
15 9 11 87.08 4.64
15 9 11 98.40 4.04
15 9 10 26.21 2.74
15 9 10 24.31 3.11
15 9 10 28.80 3.07
15 9 10 29.51 2.88
15 9 9 24.85 2.88
15 9 9 29.90 2.85
15 9 9 24.90 3.25
15 9 9 25.34 3.20
15 9 9 24.87 2.90
15 9 8 128.07 6.62
15 9 8 148.01 6.69
15 9 8 140.15 7.32
15 9 8 144.50 8.08
15 9 8 132.56 6.91
15 9 7 57.63 4.56
15 9 7 68.94 4.66
15 9 7 65.01 4.97
15 9 7 69.03 5.96
15 9 7 69.61 4.81
15 9 6 80.23 5.48
15 9 6 86.23 5.34
15 9 6 84.65 5.46
15 9 6 93.65 7.46
15 9 6 96.09 5.63
15 9 5 198.00 8.47
15 9 5 211.73 8.54
15 9 5 221.80 8.43
15 9 5 208.89 11.31
15 9 5 223.59 8.62
15 9 4 438.33 12.36
15 9 4 439.46 12.57
15 9 4 441.60 12.24
15 9 3 71.39 5.65
15 9 3 70.13 4.80
15 9 3 64.90 4.98
15 9 3 56.24 5.83
15 9 3 70.50 4.84
15 9 2 448.04 12.84
15 9 2 461.07 15.86
15 9 2 478.72 12.74
15 9 1 0.58 1.23
15 9 1 0.66 1.31
15 9 1 0.03 1.12
15 9 0 208.93 9.34
15 9 0 218.20 9.35
15 9 0 187.87 8.20
15 9 -1 10.01 1.88
15 9 -1 9.84 2.23
15 9 -1 9.02 1.66
15 9 -1 7.83 1.93
15 9 -2 437.46 13.82
15 9 -2 436.63 12.26
15 9 -2 441.36 13.86
15 9 -3 57.91 5.20
15 9 -3 64.17 4.95
15 9 -3 65.81 5.46
15 9 -3 65.57 4.70
15 9 -4 483.99 14.62
15 9 -4 478.67 14.97
15 9 -4 484.47 13.59
15 9 -5 207.52 9.47
15 9 -5 227.47 10.53
15 9 -5 213.32 9.48
15 9 -6 95.02 6.29
15 9 -6 102.70 7.22
15 9 -6 94.67 6.48
15 9 -7 67.74 5.01
15 9 -7 79.00 5.17
15 9 -7 73.48 6.19
15 9 -7 66.31 5.62
15 9 -8 93.87 5.60
15 9 -8 96.04 5.91
15 9 -8 98.91 7.19
15 9 -8 86.55 6.30
15 9 -9 30.99 2.84
15 9 -9 27.11 3.29
15 9 -9 26.86 3.79
15 9 -9 24.32 3.20
15 9 -10 29.63 3.25
15 9 -10 28.31 3.70
15 9 -10 35.89 3.78
15 9 -11 83.21 5.05
15 9 -11 83.31 5.76
15 9 -11 99.06 5.71
15 9 -12 54.52 3.68
15 9 -12 56.30 2.43
15 9 -12 60.42 4.03
15 9 -12 52.53 4.13
15 9 -13 5.58 1.08
15 9 -13 2.70 1.04
15 9 -13 5.67 1.29
15 9 -14 115.99 4.18
15 7 15 18.09 1.68
15 7 15 16.78 1.48
15 7 14 230.02 5.46
15 7 14 275.93 8.18
15 7 13 35.33 2.58
15 7 13 35.50 3.51
15 7 13 35.62 2.48
15 7 12 92.34 4.59
15 7 12 94.25 6.37
15 7 12 93.02 4.66
15 7 11 42.05 3.40
15 7 11 30.30 4.01
15 7 11 36.70 3.36
15 7 11 37.93 3.24
15 7 10 32.56 3.19
15 7 10 33.49 3.41
15 7 10 32.04 4.10
15 7 10 30.64 3.41
15 7 10 28.40 3.10
15 7 9 109.91 6.09
15 7 9 115.91 6.38
15 7 9 106.25 7.60
15 7 9 115.43 7.07
15 7 9 100.87 6.19
15 7 8 1.07 0.85
15 7 8 1.46 0.98
15 7 8 1.10 1.33
15 7 8 0.34 1.15
15 7 8 -0.56 0.92
15 7 8 1.10 1.00
15 7 7 132.37 6.81
15 7 7 150.26 7.28
15 7 7 147.62 7.53
15 7 7 148.58 8.64
15 7 7 162.93 9.51
15 7 7 133.68 7.65
15 7 7 147.60 7.60
15 7 6 26.88 3.18
15 7 6 29.67 3.56
15 7 6 32.22 3.60
15 7 6 35.20 4.14
15 7 6 29.36 3.52
15 7 6 31.73 4.59
15 7 6 29.12 3.43
15 7 5 88.29 6.24
15 7 5 80.63 5.90
15 7 5 80.26 5.64
15 7 5 89.20 6.36
15 7 5 92.54 6.42
15 7 5 83.89 7.40
15 7 5 80.82 5.59
15 7 4 235.08 10.09
15 7 4 223.94 9.95
15 7 4 210.00 9.14
15 7 4 209.28 9.39
15 7 4 235.46 10.59
15 7 4 216.94 9.12
15 7 3 33.31 3.87
15 7 3 34.02 4.01
15 7 3 29.14 3.40
15 7 3 33.62 3.74
15 7 3 34.61 4.23
15 7 3 25.75 4.13
15 7 3 32.99 3.65
15 7 2 718.96 17.57
15 7 2 786.77 18.49
15 7 2 629.22 15.60
15 7 2 717.77 16.15
15 7 2 754.85 18.95
15 7 2 691.81 19.57
15 7 2 691.83 16.34
15 7 1 101.19 6.62
15 7 1 101.17 5.83
15 7 1 103.60 5.92
15 7 1 108.58 7.12
15 7 1 103.54 7.15
15 7 1 98.87 5.80
15 7 1 91.04 5.95
15 7 0 1334.63 24.13
15 7 0 1328.32 22.10
15 7 0 1318.41 23.76
15 7 0 1334.44 19.66
15 7 -1 126.50 7.45
15 7 -1 133.72 7.44
15 7 -1 129.27 7.84
15 7 -1 116.45 6.28
15 7 -2 691.76 17.69
15 7 -2 694.54 17.42
15 7 -2 701.31 18.22
15 7 -3 38.16 4.17
15 7 -3 41.02 4.43
15 7 -3 36.83 4.33
15 7 -3 40.85 3.71
15 7 -4 180.79 9.25
15 7 -4 180.81 9.29
15 7 -4 181.93 9.65
15 7 -4 188.35 8.57
15 7 -5 72.05 5.99
15 7 -5 74.87 5.89
15 7 -5 86.05 6.83
15 7 -5 80.55 5.99
15 7 -6 43.82 4.63
15 7 -6 51.59 4.89
15 7 -6 48.10 5.12
15 7 -6 53.01 5.00
15 7 -7 136.60 8.14
15 7 -7 154.26 7.93
15 7 -7 145.13 9.26
15 7 -7 133.20 8.17
15 7 -8 16.41 3.19
15 7 -8 10.83 2.16
15 7 -8 11.56 2.48
15 7 -8 16.18 2.38
15 7 -8 9.78 2.41
15 7 -9 86.59 5.91
15 7 -9 88.76 6.01
15 7 -9 99.04 5.63
15 7 -9 92.82 7.44
15 7 -9 90.82 6.67
15 7 -10 7.89 2.07
15 7 -10 9.44 2.00
15 7 -10 5.41 2.26
15 7 -10 10.08 2.25
15 7 -11 29.82 3.42
15 7 -11 31.88 2.89
15 7 -11 32.73 4.21
15 7 -11 35.45 3.93
15 7 -12 104.53 4.11
15 7 -12 103.32 5.83
15 7 -12 107.71 7.05
15 7 -12 117.14 6.35
15 7 -13 18.24 2.25
15 7 -13 20.40 2.80
15 7 -13 18.44 2.36
15 7 -14 256.78 6.85
15 7 -14 258.69 8.24
15 7 -14 260.42 7.30
15 7 -15 9.30 1.31
15 7 -15 6.99 1.02
15 5 16 122.75 4.28
15 5 15 59.45 3.81
15 5 15 52.67 2.85
15 5 14 160.97 4.95
15 5 14 185.54 8.07
15 5 13 29.12 2.40
15 5 13 30.57 3.73
15 5 13 33.83 2.56
15 5 12 82.46 4.50
15 5 12 78.57 6.70
15 5 12 85.05 4.70
15 5 11 80.74 4.75
15 5 11 65.33 6.39
15 5 11 77.28 5.03
15 5 11 85.73 5.29
15 5 10 41.34 3.54
15 5 10 48.44 3.68
15 5 10 47.95 4.41
15 5 10 35.79 4.82
15 5 10 40.56 4.09
15 5 10 42.05 4.00
15 5 9 10.12 1.80
15 5 9 13.19 2.21
15 5 9 10.93 2.21
15 5 9 13.63 3.06
15 5 9 12.57 1.96
15 5 9 9.90 2.28
15 5 9 9.66 2.10
15 5 9 14.78 2.77
15 5 8 92.75 6.22
15 5 8 104.67 6.70
15 5 8 103.04 7.99
15 5 8 103.43 5.78
15 5 8 101.81 7.17
15 5 8 81.25 6.06
15 5 8 101.50 6.68
15 5 7 72.38 5.71
15 5 7 84.34 5.97
15 5 7 84.55 7.01
15 5 7 79.35 5.33
15 5 7 88.28 7.09
15 5 7 78.20 6.12
15 5 7 85.76 6.07
15 5 6 61.03 5.02
15 5 6 45.79 4.64
15 5 6 52.82 4.78
15 5 6 52.10 5.32
15 5 6 53.45 4.77
15 5 6 55.95 6.00
15 5 6 48.82 4.90
15 5 6 54.18 4.81
15 5 5 435.21 13.36
15 5 5 363.14 12.88
15 5 5 392.22 12.62
15 5 5 382.33 13.98
15 5 5 407.97 13.34
15 5 5 393.40 15.80
15 5 5 424.48 13.53
15 5 5 396.57 12.69
15 5 4 262.35 10.36
15 5 4 248.88 10.55
15 5 4 238.02 9.74
15 5 4 254.55 11.05
15 5 4 235.71 10.35
15 5 4 249.53 10.91
15 5 4 250.25 10.12
15 5 3 275.94 10.62
15 5 3 263.23 10.70
15 5 3 248.60 9.87
15 5 3 261.68 10.90
15 5 3 253.14 10.78
15 5 3 231.24 11.66
15 5 3 289.77 12.40
15 5 3 247.81 9.94
15 5 2 562.84 15.39
15 5 2 574.84 15.61
15 5 2 511.62 14.08
15 5 2 540.14 12.18
15 5 2 558.40 15.53
15 5 2 563.79 15.80
15 5 2 488.46 30.33
15 5 2 555.37 17.48
15 5 2 596.87 18.31
15 5 2 536.34 14.71
15 5 1 34.20 3.90
15 5 1 34.75 3.88
-15 5 -1 51.73 7.63
15 5 1 36.20 3.46
15 5 1 37.07 3.96
15 5 1 38.66 4.09
15 5 1 32.62 4.04
15 5 1 44.85 5.29
15 5 1 34.93 3.71
15 5 1 39.80 4.16
15 5 0 214.10 9.54
15 5 0 228.67 9.78
-15 5 0 232.93 17.62
15 5 0 219.77 8.93
15 5 0 232.46 9.58
15 5 0 243.20 10.67
15 5 0 230.17 9.58
15 5 0 224.98 9.60
15 5 0 240.01 21.39
15 5 0 218.70 11.55
15 5 0 219.31 8.73
15 5 -1 40.03 4.15
15 5 -1 31.91 3.70
-15 5 1 34.70 7.05
15 5 -1 37.27 3.93
15 5 -1 35.29 3.73
15 5 -1 35.56 4.14
15 5 -1 38.61 3.87
15 5 -1 32.67 3.29
15 5 -1 39.75 8.60
15 5 -1 42.28 4.19
15 5 -1 40.12 5.18
15 5 -1 37.58 3.44
15 5 -2 562.64 15.96
-15 5 2 546.43 30.22
15 5 -2 586.35 16.93
15 5 -2 550.38 15.55
15 5 -2 612.44 15.14
15 5 -2 580.16 14.29
15 5 -2 540.43 12.38
15 5 -2 580.18 15.45
15 5 -2 626.10 18.69
15 5 -3 312.15 12.07
15 5 -3 298.19 11.76
15 5 -3 319.32 12.62
15 5 -3 315.73 10.26
15 5 -3 330.74 11.45
15 5 -3 350.44 13.37
15 5 -4 226.71 10.53
15 5 -4 208.85 9.91
15 5 -4 215.81 10.58
15 5 -4 230.77 9.23
15 5 -4 225.47 10.14
15 5 -4 229.40 9.16
15 5 -5 444.33 15.14
15 5 -5 416.69 13.98
15 5 -5 411.11 14.93
15 5 -5 453.71 12.08
15 5 -5 450.54 13.76
15 5 -6 26.72 3.93
15 5 -6 25.58 3.52
15 5 -6 22.82 3.71
15 5 -7 84.68 6.83
15 5 -7 101.45 6.54
15 5 -7 91.31 7.32
15 5 -8 87.12 6.89
15 5 -8 108.66 6.45
15 5 -8 86.95 5.63
15 5 -8 106.12 8.32
15 5 -9 2.53 1.36
15 5 -9 2.97 1.24
15 5 -9 2.23 1.61
15 5 -9 1.62 0.86
15 5 -10 54.30 5.00
15 5 -10 55.60 4.07
15 5 -10 56.27 4.67
15 5 -10 56.34 6.16
15 5 -11 59.66 4.74
15 5 -11 58.04 3.89
15 5 -11 64.01 4.81
15 5 -11 44.96 5.38
15 5 -11 60.51 5.23
15 5 -12 84.36 5.09
15 5 -12 78.50 6.51
15 5 -12 90.02 5.93
15 5 -13 22.98 2.25
15 5 -13 22.97 3.20
15 5 -13 22.71 2.79
15 5 -14 165.44 4.40
15 5 -14 181.24 7.73
15 5 -14 185.29 6.91
15 5 -15 34.76 2.40
15 5 -15 43.57 3.17
15 5 -15 39.50 2.79
15 5 -16 120.72 4.13
15 5 -16 121.55 3.84
15 3 16 84.09 4.03
15 3 15 85.82 5.06
15 3 15 79.54 3.44
15 3 14 79.37 5.74
15 3 14 71.69 4.16
15 3 13 14.98 1.80
15 3 13 16.00 2.97
15 3 13 16.88 1.85
15 3 12 148.58 5.81
15 3 12 162.27 6.09
15 3 12 138.80 9.46
15 3 12 157.93 6.53
15 3 11 104.46 5.73
15 3 11 108.40 5.93
15 3 11 102.85 6.09
15 3 10 498.29 12.98
15 3 10 420.20 12.82
15 3 10 473.02 14.48
15 3 10 399.49 16.88
15 3 10 473.08 10.56
15 3 10 476.70 13.45
15 3 10 462.31 13.67
15 3 9 113.17 6.76
15 3 9 97.50 6.58
15 3 9 117.05 7.28
15 3 9 106.75 8.71
15 3 9 112.96 5.74
15 3 9 110.79 7.00
15 3 9 109.29 6.95
15 3 9 127.30 7.80
15 3 8 296.47 11.68
15 3 8 308.07 11.84
15 3 8 297.13 14.05
15 3 8 296.56 10.12
15 3 8 316.65 12.55
15 3 8 268.30 11.20
15 3 8 314.40 11.99
15 3 7 58.26 5.39
15 3 7 55.18 5.21
15 3 7 61.71 5.31
15 3 7 63.27 6.20
15 3 7 62.97 4.98
15 3 7 69.18 6.30
15 3 7 54.79 5.17
15 3 7 60.88 4.51
15 3 7 64.26 5.26
15 3 6 328.70 11.09
15 3 6 281.65 11.84
15 3 6 267.06 11.34
15 3 6 292.80 11.25
15 3 6 315.08 13.35
15 3 6 293.79 11.09
15 3 6 304.28 13.36
15 3 6 282.33 11.91
15 3 6 295.80 10.56
15 3 6 311.20 11.52
15 3 5 56.11 5.40
15 3 5 56.13 4.64
15 3 5 54.92 5.21
15 3 5 56.09 4.83
15 3 5 53.58 5.42
15 3 5 49.44 4.80
15 3 5 51.38 5.71
15 3 5 51.23 5.32
15 3 5 55.53 4.90
15 3 5 57.32 4.88
15 3 4 707.38 18.60
15 3 4 702.79 16.42
15 3 4 667.94 17.37
15 3 4 648.64 16.04
15 3 4 671.80 18.27
15 3 4 623.73 16.63
15 3 4 658.58 18.87
15 3 4 692.20 17.93
15 3 4 660.17 16.39
15 3 3 127.93 7.79
15 3 3 125.64 7.04
15 3 3 112.77 6.97
15 3 3 117.76 6.78
15 3 3 126.37 7.75
15 3 3 103.89 6.84
15 3 3 112.07 7.98
15 3 3 121.85 7.94
15 3 3 118.16 6.88
15 3 2 512.19 15.20
15 3 2 482.39 13.90
15 3 2 481.87 14.14
-15 3 -2 454.68 22.19
15 3 2 450.97 13.19
15 3 2 436.17 10.55
15 3 2 474.33 14.79
15 3 2 452.52 13.86
15 3 2 468.92 15.55
15 3 2 483.93 13.78
15 3 2 470.84 14.26
15 3 2 475.74 16.21
15 3 2 468.22 13.69
15 3 1 45.71 4.35
15 3 1 48.62 4.48
15 3 1 42.50 4.09
-15 3 -1 50.76 8.36
15 3 1 43.34 3.66
15 3 1 44.95 4.51
15 3 1 40.04 4.11
15 3 1 54.69 5.00
15 3 1 43.29 4.11
15 3 1 46.86 4.40
15 3 1 49.00 5.52
15 3 1 45.36 4.27
-15 3 0 189.56 16.66
15 3 0 195.92 8.86
15 3 0 192.40 9.01
15 3 0 190.74 8.25
15 3 0 213.68 9.67
15 3 0 214.27 10.01
15 3 0 191.22 8.41
15 3 0 191.57 8.82
15 3 0 192.41 8.63
15 3 0 191.90 8.54
15 3 0 188.92 10.45
15 3 -1 51.98 4.60
15 3 -1 47.52 4.56
-15 3 1 51.26 8.59
15 3 -1 51.53 5.03
15 3 -1 49.99 4.55
15 3 -1 55.91 4.94
15 3 -1 48.22 4.10
15 3 -1 51.52 4.24
15 3 -1 48.37 4.31
15 3 -1 51.32 4.33
15 3 -1 47.06 5.21
-15 3 2 512.59 31.11
15 3 -2 556.04 14.75
15 3 -2 507.12 14.98
15 3 -2 482.52 14.58
15 3 -2 555.02 15.26
15 3 -2 525.30 15.82
15 3 -2 501.64 12.81
15 3 -2 507.98 12.03
15 3 -2 494.42 14.17
15 3 -2 521.63 13.24
15 3 -2 519.60 16.73
-15 3 3 162.34 18.18
15 3 -3 169.46 8.29
15 3 -3 148.50 8.52
15 3 -3 145.19 8.29
15 3 -3 142.80 8.11
15 3 -3 178.91 8.69
15 3 -3 145.63 6.68
15 3 -3 149.59 7.81
15 3 -3 169.15 7.25
15 3 -3 160.40 8.98
-15 3 4 666.96 36.48
15 3 -4 657.12 17.93
15 3 -4 624.90 17.01
15 3 -4 656.21 18.22
15 3 -4 666.44 13.91
15 3 -4 622.88 15.87
15 3 -4 670.42 17.49
15 3 -5 71.61 6.02
15 3 -5 71.63 5.72
15 3 -5 73.10 6.30
15 3 -5 79.45 4.63
15 3 -5 77.57 5.45
15 3 -5 81.88 5.95
15 3 -6 249.20 11.62
15 3 -6 260.18 10.76
15 3 -6 259.93 12.15
15 3 -6 246.51 9.31
15 3 -6 252.34 9.76
15 3 -7 64.95 5.25
15 3 -7 58.05 5.96
15 3 -7 64.20 4.36
15 3 -7 60.55 4.56
15 3 -8 276.91 10.37
15 3 -8 261.82 10.01
15 3 -8 279.84 13.37
15 3 -9 120.86 6.56
15 3 -9 114.64 6.88
15 3 -9 116.12 8.71
15 3 -10 460.90 11.98
15 3 -10 454.85 13.59
15 3 -11 107.88 5.42
15 3 -11 104.31 6.34
15 3 -12 155.58 7.86
15 3 -12 154.35 5.93
15 3 -12 154.20 7.29
15 3 -12 143.74 8.94
15 3 -13 8.37 1.78
15 3 -13 9.11 1.25
15 3 -13 9.50 2.42
15 3 -13 8.35 1.72
15 3 -14 82.07 4.35
15 3 -14 81.96 4.59
15 3 -14 91.37 5.76
15 3 -15 63.14 2.88
15 3 -15 69.19 4.20
15 3 -15 72.77 4.07
15 3 -16 100.23 4.03
15 3 -16 106.80 4.12
15 1 16 60.66 3.46
15 1 16 60.70 3.06
15 1 15 15.09 2.22
15 1 15 13.75 1.24
15 1 14 131.62 7.46
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15 1 10 312.85 12.30
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15 1 10 323.94 11.00
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15 1 9 160.46 8.89
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15 1 9 153.77 8.33
15 1 9 178.70 9.37
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15 1 8 933.64 21.08
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15 1 8 870.70 20.36
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15 1 7 140.12 9.39
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15 1 5 110.78 7.72
15 1 5 88.07 7.14
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18 -10 5 121.61 6.58
18 -10 4 45.50 3.41
18 -10 4 35.62 3.70
18 -10 4 38.65 3.34
18 -10 3 139.53 5.45
18 -10 3 124.65 6.83
18 -10 3 139.80 7.04
18 -10 2 41.96 2.68
18 -10 2 44.87 4.13
18 -10 2 43.73 4.38
18 -10 1 54.16 3.06
18 -10 1 54.42 4.32
18 -10 1 51.24 4.97
18 -10 0 17.80 2.22
18 -10 0 12.35 2.54
18 -10 0 19.32 2.09
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18 -10 -1 64.13 4.41
18 -10 -1 64.31 3.88
18 -10 -1 66.10 4.30
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18 -10 -3 127.48 5.95
18 -10 -3 129.64 6.73
18 -10 -4 42.21 3.40
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18 -10 -5 91.58 5.25
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18 -10 -6 21.37 2.56
18 -10 -6 27.69 2.10
18 -10 -7 51.12 3.12
18 -10 -7 54.95 3.20
18 -10 -8 46.28 2.68
18 -10 -8 40.06 2.47
18 -10 -8 40.09 2.88
18 -10 -9 62.66 2.77
18 -10 -9 62.43 2.63
18 -10 -9 61.14 3.05
18 -12 7 142.54 4.26
18 -12 6 50.64 3.16
18 -12 5 72.83 2.74
18 -12 5 74.76 4.17
18 -12 4 62.59 3.31
18 -12 4 53.46 3.74
18 -12 3 10.63 1.74
18 -12 3 15.29 1.96
18 -12 2 29.06 2.78
18 -12 2 29.31 3.07
18 -12 1 38.58 3.01
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18 -12 0 12.63 1.73
18 -12 0 10.75 1.43
18 -12 -1 32.02 2.62
18 -12 -1 31.14 1.80
18 -12 -1 33.36 2.42
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18 -12 -2 26.18 2.49
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18 -12 -3 12.11 1.67
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18 -12 -4 40.40 2.61
18 -12 -4 49.70 3.09
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18 -14 0 74.10 3.55
18 -14 -1 31.47 2.30
19 11 5 33.65 2.15
19 11 5 39.13 2.58
19 11 4 149.89 4.13
19 11 4 166.32 5.85
19 11 3 95.72 3.77
19 11 3 90.75 3.33
19 11 2 90.79 3.95
19 11 2 95.02 5.04
19 11 1 174.60 5.66
19 11 1 170.14 6.91
19 11 0 72.03 2.62
19 11 0 78.39 3.97
19 11 0 72.97 4.48
19 11 0 69.40 2.70
19 11 -1 183.29 4.87
19 11 -1 181.74 6.54
19 11 -1 172.69 4.30
19 11 -2 125.80 4.38
19 11 -2 123.75 5.10
19 11 -2 125.11 4.61
19 11 -2 110.26 3.42
19 11 -3 105.64 4.12
19 11 -3 109.93 4.80
19 11 -4 178.29 5.24
19 11 -4 163.65 5.65
19 11 -5 35.53 2.23
19 11 -5 26.94 2.14
19 11 -6 121.43 3.61
19 11 -6 115.73 3.72
19 9 8 26.73 2.08
19 9 8 22.05 1.62
19 9 8 21.90 1.69
19 9 7 49.01 2.40
19 9 7 64.05 3.66
19 9 7 58.73 3.21
19 9 7 42.07 2.57
19 9 6 74.18 3.51
19 9 6 77.30 4.10
19 9 6 68.09 3.40
19 9 5 52.84 3.22
19 9 5 52.17 3.75
19 9 5 57.33 3.96
19 9 5 56.29 3.01
19 9 4 85.42 4.30
19 9 4 75.44 4.59
19 9 4 99.83 5.57
19 9 4 82.42 3.37
19 9 4 93.45 4.26
19 9 3 9.08 1.51
19 9 3 8.41 1.63
19 9 3 7.72 1.83
19 9 3 7.01 1.19
19 9 2 129.80 5.70
19 9 2 122.92 5.29
19 9 2 138.69 7.38
19 9 2 123.57 5.14
19 9 1 5.41 1.44
19 9 1 7.72 1.14
19 9 1 7.23 1.20
19 9 1 7.17 1.83
19 9 1 4.52 1.06
19 9 0 291.89 9.05
19 9 0 271.91 10.39
19 9 0 285.94 8.03
19 9 -1 11.47 2.01
19 9 -1 12.52 1.99
19 9 -1 9.07 1.94
19 9 -1 9.69 1.63
19 9 -2 151.58 6.68
19 9 -2 145.91 6.55
19 9 -2 141.48 6.42
19 9 -2 131.25 5.55
19 9 -3 20.51 2.49
19 9 -3 17.30 2.37
19 9 -3 17.73 1.86
19 9 -3 16.42 2.02
19 9 -4 102.35 5.18
19 9 -4 93.28 5.20
19 9 -4 100.88 4.84
19 9 -5 60.74 3.70
19 9 -5 51.66 3.65
19 9 -5 56.35 3.57
19 9 -6 74.31 3.98
19 9 -6 68.73 3.79
19 9 -7 65.85 2.86
19 9 -7 62.76 3.17
19 9 -8 23.91 1.86
19 7 10 50.39 2.40
19 7 10 55.13 2.90
19 7 9 122.43 4.58
19 7 9 116.98 5.00
19 7 8 15.15 1.81
19 7 8 18.55 2.15
19 7 8 18.12 1.98
19 7 8 15.53 2.08
19 7 7 84.31 4.29
19 7 7 81.68 4.23
19 7 7 83.53 4.55
19 7 7 72.00 4.61
19 7 6 68.79 4.09
19 7 6 69.69 4.03
19 7 6 78.24 5.24
19 7 6 69.54 4.59
19 7 6 65.16 4.45
19 7 6 66.52 4.06
19 7 5 72.90 4.41
19 7 5 75.39 4.31
19 7 5 69.12 5.14
19 7 5 75.20 5.13
19 7 5 69.01 4.53
19 7 5 74.24 4.32
19 7 4 79.49 4.76
19 7 4 80.75 4.45
19 7 4 67.15 5.08
19 7 4 83.19 5.82
19 7 4 72.17 4.52
19 7 4 76.94 4.57
19 7 3 0.14 0.83
19 7 3 0.70 1.00
19 7 3 2.91 1.80
19 7 3 2.20 1.06
19 7 3 0.51 0.77
19 7 2 165.62 7.20
19 7 2 152.50 6.92
19 7 2 161.95 7.25
19 7 2 159.39 8.89
19 7 2 144.51 5.71
19 7 2 139.31 6.25
19 7 1 6.04 1.55
19 7 1 7.65 1.78
19 7 1 10.73 1.94
19 7 1 8.05 2.28
19 7 1 6.50 1.21
19 7 1 6.99 1.44
19 7 0 182.41 7.78
19 7 0 170.42 7.68
19 7 0 171.35 6.07
19 7 0 160.51 8.93
19 7 0 153.49 6.76
19 7 -1 14.13 2.46
19 7 -1 14.87 2.36
19 7 -1 14.00 2.79
19 7 -1 16.20 2.30
19 7 -2 128.80 6.71
19 7 -2 134.25 7.00
19 7 -2 133.84 6.99
19 7 -2 124.55 6.18
19 7 -3 6.23 1.88
19 7 -3 3.92 1.46
19 7 -3 5.98 1.22
19 7 -3 4.37 1.47
19 7 -4 73.11 4.96
19 7 -4 68.55 4.93
19 7 -4 70.62 4.80
19 7 -5 68.32 4.74
19 7 -5 60.05 4.36
19 7 -5 64.52 4.52
19 7 -6 64.55 4.32
19 7 -6 64.31 4.14
19 7 -6 66.75 4.55
19 7 -7 92.15 4.75
19 7 -7 99.52 4.51
19 7 -7 84.93 4.89
19 7 -8 24.71 2.21
19 7 -8 24.35 1.73
19 7 -8 18.28 2.16
19 7 -9 112.55 3.73
19 7 -9 103.77 4.57
19 7 -10 49.70 2.70
19 5 11 117.93 4.21
19 5 11 117.71 4.24
19 5 10 59.27 3.67
19 5 10 64.55 3.26
19 5 10 68.32 3.88
19 5 9 90.41 5.05
19 5 9 108.74 4.96
19 5 9 103.83 5.59
19 5 8 68.10 4.11
19 5 8 64.50 4.56
19 5 8 79.64 4.79
19 5 8 71.78 4.33
19 5 8 66.23 4.86
19 5 7 51.06 3.85
19 5 7 50.70 4.25
19 5 7 55.84 4.47
19 5 7 59.11 4.30
19 5 7 40.32 3.97
19 5 7 52.63 3.95
19 5 6 93.47 5.34
19 5 6 91.41 5.71
19 5 6 105.79 6.62
19 5 6 101.08 6.09
19 5 6 85.82 5.93
19 5 6 95.60 5.40
19 5 5 90.72 5.42
19 5 5 92.40 5.67
19 5 5 85.20 6.16
19 5 5 98.87 6.53
19 5 5 87.02 5.89
19 5 5 96.81 5.50
19 5 4 122.83 6.40
19 5 4 121.97 6.46
19 5 4 111.62 7.18
19 5 4 131.13 7.93
19 5 4 121.94 6.71
19 5 4 118.06 6.13
19 5 3 106.00 5.75
19 5 3 103.58 6.05
19 5 3 102.00 5.86
19 5 3 91.91 6.39
19 5 3 109.94 7.58
19 5 3 97.53 5.85
19 5 3 96.96 5.66
19 5 2 200.58 8.03
19 5 2 196.20 8.42
19 5 2 200.31 8.07
19 5 2 199.52 8.85
19 5 2 209.38 10.76
19 5 2 192.00 7.82
19 5 2 180.73 7.72
19 5 1 11.68 2.18
19 5 1 15.25 2.43
19 5 1 14.35 2.36
19 5 1 14.31 3.20
19 5 1 13.07 2.08
19 5 1 12.77 2.26
19 5 0 196.37 8.33
19 5 0 202.29 8.90
19 5 0 191.68 7.12
19 5 0 188.00 7.25
19 5 0 170.75 9.65
19 5 0 189.45 7.02
19 5 0 169.70 7.64
19 5 -1 18.88 2.75
19 5 -1 19.75 2.74
19 5 -1 17.19 2.30
19 5 -1 21.13 2.22
19 5 -1 20.38 3.13
19 5 -1 23.21 2.87
19 5 -2 162.50 7.84
19 5 -2 171.30 8.37
19 5 -2 159.36 7.30
19 5 -2 177.91 8.32
19 5 -2 150.04 7.29
19 5 -3 120.11 6.91
19 5 -3 114.55 6.72
19 5 -3 117.61 6.44
19 5 -3 128.12 5.81
19 5 -3 106.84 6.25
19 5 -4 106.17 6.38
19 5 -4 89.94 5.83
19 5 -4 95.46 5.82
19 5 -4 101.28 6.13
19 5 -5 78.70 5.53
19 5 -5 75.12 5.09
19 5 -5 86.00 5.43
19 5 -5 79.95 5.45
19 5 -6 69.08 5.14
19 5 -6 81.00 4.79
19 5 -6 80.60 4.96
19 5 -7 59.49 3.45
19 5 -7 66.12 4.17
19 5 -7 63.75 5.15
19 5 -8 65.40 4.31
19 5 -8 66.23 5.03
19 5 -8 60.88 3.29
19 5 -9 98.37 5.62
19 5 -9 96.16 3.89
19 5 -10 68.09 3.36
19 5 -10 67.19 2.90
19 5 -11 89.24 3.57
19 3 12 74.03 3.31
19 3 11 16.08 2.07
19 3 11 17.47 1.87
19 3 10 45.34 2.48
19 3 10 44.02 3.73
19 3 10 44.40 3.49
19 3 9 27.54 2.45
19 3 9 20.32 2.92
19 3 9 28.24 2.66
19 3 9 25.23 3.03
19 3 8 53.93 3.92
19 3 8 48.52 3.86
19 3 8 43.86 4.33
19 3 8 54.87 3.47
19 3 8 57.64 4.37
19 3 8 42.69 4.24
19 3 7 34.21 3.50
19 3 7 29.15 3.12
19 3 7 34.11 3.91
19 3 7 36.33 3.25
19 3 7 39.33 4.03
19 3 7 40.89 3.85
19 3 7 29.87 3.89
19 3 7 39.32 3.64
19 3 6 90.32 5.80
19 3 6 101.56 5.95
19 3 6 105.82 6.75
19 3 6 110.76 6.00
19 3 6 112.60 7.06
19 3 6 114.05 6.87
19 3 6 89.63 6.46
19 3 6 104.70 5.90
19 3 5 58.29 4.89
19 3 5 60.78 4.77
19 3 5 66.27 5.40
19 3 5 62.07 4.83
19 3 5 58.99 5.46
19 3 5 61.51 5.46
19 3 5 58.41 5.23
19 3 5 57.40 4.46
19 3 4 267.50 8.58
19 3 4 266.65 10.51
19 3 4 255.82 9.80
19 3 4 259.02 10.38
19 3 4 251.98 10.05
19 3 4 232.17 10.79
19 3 4 281.20 12.08
19 3 4 272.04 10.31
19 3 4 258.40 10.63
19 3 4 250.51 9.27
19 3 3 100.85 5.41
19 3 3 101.15 6.42
19 3 3 101.35 6.28
19 3 3 97.30 6.23
19 3 3 97.60 6.45
19 3 3 92.90 6.62
19 3 3 101.71 7.57
19 3 3 102.45 6.79
19 3 3 99.54 6.48
19 3 3 95.51 5.72
19 3 2 505.53 12.53
19 3 2 541.56 14.76
19 3 2 521.54 14.29
19 3 2 516.81 14.11
19 3 2 516.10 14.53
19 3 2 519.99 14.95
19 3 2 526.79 17.45
19 3 2 562.49 16.95
19 3 2 507.81 13.85
19 3 2 480.21 12.82
19 3 1 46.34 3.95
19 3 1 42.76 4.26
19 3 1 51.57 4.60
19 3 1 47.72 3.39
19 3 1 42.85 4.08
19 3 1 44.96 4.30
19 3 1 44.61 4.18
19 3 1 39.12 4.74
19 3 1 43.11 4.85
19 3 1 42.58 3.98
19 3 1 41.27 3.82
19 3 0 318.94 10.53
19 3 0 351.12 12.08
19 3 0 330.84 9.69
19 3 0 342.39 10.57
19 3 0 353.70 11.22
19 3 0 308.07 12.87
19 3 0 345.40 14.05
19 3 0 336.64 10.49
19 3 0 303.49 10.37
19 3 -1 34.81 3.57
19 3 -1 34.34 3.88
19 3 -1 41.00 3.71
19 3 -1 40.72 3.80
19 3 -1 40.43 4.48
19 3 -1 36.99 4.74
19 3 -1 35.96 3.61
19 3 -2 411.92 12.60
19 3 -2 429.97 13.42
19 3 -2 402.20 12.08
19 3 -2 424.41 11.13
19 3 -2 447.01 12.67
19 3 -2 461.42 15.23
19 3 -2 385.43 11.94
19 3 -3 64.19 5.02
19 3 -3 59.42 4.97
19 3 -3 63.87 5.01
19 3 -3 73.12 5.83
19 3 -3 59.05 4.81
19 3 -4 227.05 9.80
19 3 -4 209.20 9.00
19 3 -4 243.69 9.67
19 3 -4 217.15 9.24
19 3 -5 28.97 3.58
19 3 -5 29.11 3.17
19 3 -5 33.28 3.59
19 3 -5 27.31 3.24
19 3 -6 110.45 6.75
19 3 -6 106.59 5.03
19 3 -6 117.31 6.33
19 3 -6 112.30 7.23
19 3 -7 28.91 3.47
19 3 -7 29.97 3.06
19 3 -7 26.74 3.54
19 3 -8 24.56 3.09
19 3 -8 28.34 2.72
19 3 -8 25.32 3.30
19 3 -8 28.17 2.46
19 3 -9 25.82 2.82
19 3 -9 27.73 2.40
19 3 -9 26.47 2.36
19 3 -10 64.98 3.90
19 3 -10 70.02 3.24
19 3 -10 69.37 4.38
19 3 -10 64.51 3.27
19 3 -11 20.94 1.91
19 3 -11 22.21 1.72
19 1 12 168.44 5.28
19 1 11 15.42 1.39
19 1 11 16.46 2.14
19 1 11 17.05 1.84
19 1 10 156.27 5.57
19 1 10 148.19 4.01
19 1 10 159.28 6.43
19 1 9 12.92 1.97
19 1 9 12.25 2.48
19 1 9 15.13 1.65
19 1 9 14.80 2.43
19 1 8 109.23 6.00
19 1 8 107.66 7.00
19 1 8 123.92 5.32
19 1 8 114.23 6.91
19 1 7 16.34 2.57
19 1 7 16.17 2.47
19 1 7 18.30 3.01
19 1 7 20.33 2.52
19 1 7 21.76 3.18
19 1 7 14.88 2.78
19 1 7 20.35 2.75
19 1 6 122.62 7.11
19 1 6 129.45 6.94
19 1 6 138.31 8.01
19 1 6 141.80 8.04
19 1 6 142.18 6.98
19 1 6 132.84 5.98
19 1 6 119.90 7.76
19 1 6 130.23 6.65
19 1 5 81.42 5.94
19 1 5 76.89 5.50
19 1 5 86.62 6.42
19 1 5 81.13 6.53
19 1 5 79.25 5.55
19 1 5 91.39 6.71
19 1 5 80.67 5.23
19 1 5 80.90 6.36
19 1 5 80.92 5.26
19 1 4 150.35 5.88
19 1 4 140.60 7.76
19 1 4 143.66 7.59
19 1 4 148.14 8.13
19 1 4 129.75 8.17
19 1 4 137.72 7.67
19 1 4 160.53 9.22
19 1 4 147.98 7.69
19 1 4 153.45 8.62
19 1 4 136.70 6.86
19 1 3 225.17 7.67
19 1 3 224.52 9.53
19 1 3 225.71 9.53
19 1 3 229.51 9.95
19 1 3 216.98 10.33
19 1 3 211.76 9.42
19 1 3 238.20 11.57
19 1 3 241.36 10.55
19 1 3 221.26 10.03
19 1 3 211.43 8.47
19 1 2 174.85 7.01
19 1 2 179.04 8.46
19 1 2 178.02 8.58
19 1 2 177.70 8.77
19 1 2 187.00 9.19
19 1 2 180.29 8.58
19 1 2 164.41 9.68
19 1 2 189.15 8.96
19 1 2 186.95 9.84
19 1 2 160.85 7.45
19 1 1 173.96 7.22
19 1 1 180.06 8.38
19 1 1 174.84 8.51
19 1 1 170.32 6.41
19 1 1 181.59 8.69
19 1 1 190.61 8.50
19 1 1 151.75 9.20
19 1 1 175.50 8.40
19 1 1 187.65 10.36
19 1 1 160.48 7.46
19 1 0 232.60 8.68
19 1 0 258.42 9.82
19 1 0 248.17 10.21
19 1 0 236.59 8.42
19 1 0 250.28 9.38
19 1 0 278.34 10.72
19 1 0 243.34 11.04
19 1 0 256.75 12.16
19 1 0 231.15 9.03
19 1 -1 167.56 7.62
19 1 -1 190.37 8.24
19 1 -1 175.68 8.61
19 1 -1 166.53 7.56
19 1 -1 174.24 7.42
19 1 -1 180.96 8.69
19 1 -1 174.49 8.55
19 1 -1 181.80 10.19
19 1 -1 155.89 7.51
19 1 -2 157.24 7.65
19 1 -2 170.01 8.42
19 1 -2 167.79 7.99
19 1 -2 168.63 6.86
19 1 -2 184.40 8.73
19 1 -2 186.18 7.52
19 1 -2 184.66 9.77
19 1 -2 160.58 7.65
19 1 -3 169.77 8.17
19 1 -3 151.63 7.46
19 1 -3 151.85 7.83
19 1 -3 170.05 6.57
19 1 -3 175.69 8.54
19 1 -3 186.16 9.16
19 1 -3 157.67 7.67
19 1 -4 116.93 6.97
19 1 -4 104.18 5.65
19 1 -4 104.90 6.51
19 1 -4 116.95 6.78
19 1 -4 127.42 7.10
19 1 -4 114.94 6.63
19 1 -5 59.85 5.13
19 1 -5 63.23 4.90
19 1 -5 62.40 4.76
19 1 -5 57.86 4.44
19 1 -5 58.15 4.76
19 1 -6 116.05 7.11
19 1 -6 131.96 6.84
19 1 -6 134.21 6.35
19 1 -6 123.49 5.83
19 1 -6 114.85 6.64
19 1 -7 17.57 2.93
19 1 -7 17.73 2.56
19 1 -7 20.93 2.47
19 1 -8 94.78 6.20
19 1 -8 116.71 5.57
19 1 -8 95.78 6.10
19 1 -8 127.66 4.52
19 1 -8 90.84 4.53
19 1 -9 14.16 2.40
19 1 -9 14.17 1.77
19 1 -9 11.51 1.88
19 1 -9 11.63 1.70
19 1 -10 170.23 6.85
19 1 -10 172.44 5.33
19 1 -10 164.94 5.48
19 1 -11 29.05 2.46
19 1 -11 24.03 1.68
19 1 -11 29.68 2.07
19 1 -11 25.86 1.81
19 1 -12 175.23 4.87
19 -1 12 174.67 4.66
19 -1 11 28.23 2.20
19 -1 11 28.79 2.58
19 -1 10 177.88 6.46
19 -1 10 163.81 7.09
19 -1 10 163.42 4.51
19 -1 10 178.80 6.36
19 -1 9 11.38 2.00
19 -1 9 10.73 2.11
19 -1 9 15.26 1.77
19 -1 9 13.93 2.34
19 -1 8 102.41 6.07
19 -1 8 105.41 6.75
19 -1 8 116.48 5.30
19 -1 8 110.67 6.55
19 -1 7 17.83 2.83
19 -1 7 13.65 2.54
19 -1 7 17.45 3.02
19 -1 7 19.37 2.56
19 -1 7 18.62 2.00
19 -1 7 15.38 2.78
19 -1 6 121.30 7.34
19 -1 6 119.92 7.16
19 -1 6 132.37 7.88
19 -1 6 125.43 6.69
19 -1 6 126.62 5.87
19 -1 6 110.58 7.41
19 -1 6 130.36 6.45
19 -1 5 62.14 5.38
19 -1 5 56.20 4.94
19 -1 5 64.59 5.08
19 -1 5 67.43 5.63
19 -1 5 63.83 5.02
19 -1 5 62.33 5.64
19 -1 5 62.99 4.57
19 -1 5 68.55 4.78
19 -1 4 117.68 7.03
19 -1 4 118.80 6.97
19 -1 4 131.36 7.71
19 -1 4 111.07 6.75
19 -1 4 124.32 7.86
19 -1 4 123.65 7.06
19 -1 4 122.08 6.35
19 -1 3 160.95 8.05
19 -1 3 179.04 8.68
19 -1 3 180.82 8.94
19 -1 3 151.82 7.93
19 -1 3 180.87 9.25
19 -1 3 183.90 9.24
19 -1 3 171.02 7.46
19 -1 2 163.27 5.98
19 -1 2 177.81 8.30
19 -1 2 185.82 8.85
19 -1 2 181.58 8.91
19 -1 2 178.60 8.45
19 -1 2 183.84 8.15
19 -1 2 177.15 9.55
19 -1 2 169.01 7.38
19 -1 1 156.40 6.31
19 -1 1 163.16 7.76
19 -1 1 176.75 8.73
19 -1 1 168.46 6.39
19 -1 1 178.88 8.82
19 -1 1 164.15 7.77
19 -1 1 180.60 8.30
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22 -4 3 25.37 1.92
22 -4 3 27.29 2.04
22 -4 2 80.42 3.30
22 -4 2 91.15 4.23
22 -4 1 5.76 1.37
22 -4 1 7.66 1.04
22 -4 0 105.15 5.03
22 -4 -1 11.36 1.80
22 -4 -2 89.69 4.23
22 -4 -3 32.20 2.23
22 -6 0 102.97 4.34
0 0 0 0.00 0.00
;
_shelx_hkl_checksum 5173
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.556
_oxdiff_exptl_absorpt_empirical_full_min 0.655
#===END
#-----------------------------------------------
#---------------COMPOUND 9----------------------
#-----------------------------------------------
data_9
_audit_creation_date 2019-07-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number '2018/3'
_audit_contact_author_address ?
_audit_contact_author_email ?
_audit_contact_author_name ''
_audit_contact_author_phone ?
_publ_contact_author_id_orcid ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
(2009), J. Appl. Cryst. 42, 339-341.
Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common ?
_chemical_name_systematic ?
_chemical_formula_moiety 'C32 H12 B F24, C24 H44 F2 P2 Rh'
_chemical_formula_sum 'C56 H56 B F26 P2 Rh'
_chemical_formula_weight 1398.66
_chemical_melting_point ?
_chemical_oxdiff_formula 'C54 H66 P2 Rh1 B1 F24'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'B' 'B' 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'P' 'P' 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Rh' 'Rh' 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system 'orthorhombic'
_space_group_IT_number 56
_space_group_name_H-M_alt 'P c c n'
_space_group_name_Hall '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'
_cell_length_a 35.5500(5)
_cell_length_b 17.7103(2)
_cell_length_c 18.7565(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 11809.1(3)
_cell_formula_units_Z 8
_cell_measurement_reflns_used 16333
_cell_measurement_temperature 150.01(10)
_cell_measurement_theta_max 75.6390
_cell_measurement_theta_min 2.7820
_shelx_estimated_absorpt_T_max 0.718
_shelx_estimated_absorpt_T_min 0.568
_exptl_absorpt_coefficient_mu 3.937
_exptl_absorpt_correction_T_max 1.00000
_exptl_absorpt_correction_T_min 0.89458
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.31c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details ?
_exptl_crystal_colour 'yellowish orange'
_exptl_crystal_colour_modifier yellowish
_exptl_crystal_colour_primary orange
_exptl_crystal_density_diffrn 1.573
_exptl_crystal_density_meas ?
_exptl_crystal_density_method ?
_exptl_crystal_description plate
_exptl_crystal_F_000 5648
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-10 0 10 0.0672
-1 11 9 0.0587
-9 -8 1 0.1027
-2 2 -23 0.0495
1 -2 23 0.0363
7 9 0 0.0742
-1 -12 -7 0.0796
11 0 -9 0.0567
_exptl_crystal_size_max 0.162
_exptl_crystal_size_mid 0.159
_exptl_crystal_size_min 0.09
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-10.0123 -0.0218 9.9348 0.1881 0.6362 0.7097
-1.0298 11.0258 8.8860 0.2173 0.8413 -0.4702
-8.9892 -8.0404 1.0238 -0.0653 -0.0187 1.0219
-1.9952 1.9958 -22.9812 -1.0200 -0.0428 -0.0829
0.9945 -1.9981 22.9767 0.9974 0.0947 0.1491
6.9850 9.0382 -0.0432 0.0495 0.1963 -0.9374
-0.9704 -12.0326 -6.8907 -0.1677 -0.7762 0.6648
11.0126 0.0243 -8.9322 -0.1242 -0.6763 -0.7711
_exptl_transmission_factor_max ?
_exptl_transmission_factor_min ?
_diffrn_reflns_av_R_equivalents 0.0586
_diffrn_reflns_av_unetI/netI 0.0405
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max 41
_diffrn_reflns_limit_h_min -44
_diffrn_reflns_limit_k_max 14
_diffrn_reflns_limit_k_min -22
_diffrn_reflns_limit_l_max 20
_diffrn_reflns_limit_l_min -23
_diffrn_reflns_number 46114
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full 67.684
_diffrn_reflns_theta_max 76.043
_diffrn_reflns_theta_min 2.788
_diffrn_ambient_environment N~2~
_diffrn_ambient_temperature 150.01(10)
_diffrn_detector 'CCD plate'
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):
# Type Start End Width t~exp~ \w \q \k \f Frames
--------------------------------------------------------------------------
1 \w 6.00 51.00 1.00 2.00 -- 0.00 -99.00-180.00 45
2 \w 6.00 33.00 1.00 2.00 -- 0.00 -99.00-120.00 27
3 \w -99.00 -41.00 1.00 2.00 -- 0.00 178.00-150.00 58
4 \w -46.00 10.00 1.00 6.00 -- -59.95 30.00 -90.00 56
5 \w -133.00 -81.00 1.00 6.00 -- -59.95 -94.00 -60.00 52
6 \w -34.00 17.00 1.00 6.00 -- -59.95 30.00 0.00 51
7 \w -56.00 25.00 1.00 6.00 -- -59.95 45.00-180.00 81
8 \w -150.00 -83.00 1.00 6.00 -- -59.95 -94.00 150.00 67
9 \w -132.00 -97.00 1.00 6.00 -- -59.95 -94.00-120.00 35
10 \w 102.00 127.00 1.00 6.00 -- 59.95 121.00-122.00 25
11 \w 32.00 91.00 1.00 15.00 -- 119.91 -37.00 90.00 59
12 \w 34.00 105.00 1.00 15.00 -- 119.91 -50.00 30.00 71
13 \w 37.00 91.00 1.00 15.00 -- 119.91 -37.00-150.00 54
14 \w 129.00 168.00 1.00 15.00 -- 119.91 111.00 -30.00 39
15 \w 62.00 89.00 1.00 15.00 -- 119.91 -37.00 150.00 27
16 \w 61.00 92.00 1.00 15.00 -- 119.91 -37.00-120.00 31
17 \w 43.00 80.00 1.00 15.00 -- 119.91 -25.00 30.00 37
18 \w 32.00 69.00 1.00 15.00 -- 119.91 -37.00 -60.00 37
19 \w 20.00 170.00 1.00 15.00 -- 119.91 0.00 30.00 150
20 \w -98.00 -71.00 1.00 2.00 -- 0.00 178.00 0.00 27
21 \w 25.00 51.00 1.00 2.00 -- 0.00 -99.00-150.00 26
22 \w 10.00 50.00 1.00 2.00 -- 0.00 -99.00 150.00 40
23 \w -66.00 -39.00 1.00 2.00 -- 0.00 178.00 0.00 27
24 \w -61.00 -55.00 1.00 6.00 -- -59.95 -45.00 120.00 6
;
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11 0.0223539000
_diffrn_orient_matrix_UB_12 -0.0115974000
_diffrn_orient_matrix_UB_13 0.0414352000
_diffrn_orient_matrix_UB_21 -0.0520114000
_diffrn_orient_matrix_UB_22 0.0619698000
_diffrn_orient_matrix_UB_23 0.0117613000
_diffrn_orient_matrix_UB_31 -0.0660358000
_diffrn_orient_matrix_UB_32 -0.0526540000
_diffrn_orient_matrix_UB_33 0.0047699000
_diffrn_radiation_monochromator mirror
_diffrn_radiation_probe x-ray
_diffrn_radiation_type CuK\a
_diffrn_radiation_wavelength 1.54184
_diffrn_source 'micro-focus sealed X-ray tube'
_diffrn_source_type 'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage 0.000
_reflns_Friedel_fraction_full .
_reflns_Friedel_fraction_max .
_reflns_number_gt 10373
_reflns_number_total 12210
_reflns_special_details
;
Reflections were merged by SHELXL according to the crystal
class for the calculation of statistics and refinement.
_reflns_Friedel_fraction is defined as the number of unique
Friedel pairs measured divided by the number that would be
possible theoretically, ignoring centric projections and
systematic absences.
;
_reflns_threshold_expression 'I > 2\s(I)'
_computing_cell_refinement 'CrysAlisPro 1.171.39.31c (Rigaku OD, 2017)'
_computing_data_collection 'CrysAlisPro 1.171.39.31c (Rigaku OD, 2017)'
_computing_data_reduction 'CrysAlisPro 1.171.39.31c (Rigaku OD, 2017)'
_computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material 'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement 'ShelXL (Sheldrick, 2015)'
_computing_structure_solution 'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max 1.449
_refine_diff_density_min -1.249
_refine_diff_density_rms 0.113
_refine_ls_extinction_coef .
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.032
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 1161
_refine_ls_number_reflns 12210
_refine_ls_number_restraints 1749
_refine_ls_R_factor_all 0.1167
_refine_ls_R_factor_gt 0.1069
_refine_ls_restrained_S_all 1.038
_refine_ls_shift/su_max 0.019
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1217P)^2^+72.9986P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.2780
_refine_ls_wR_factor_ref 0.2856
_refine_special_details ?
_olex2_refinement_description
;
1. Fixed Uiso
At 1.2 times of:
All C(H) groups, All C(H,H) groups
At 1.5 times of:
All C(H,H,H) groups
2. Restrained distances
F8-F7 \\sim F8A-F7A
with sigma of 0.04
C32-F8 \\sim C32-F8A \\sim C32-F6A \\sim C32-F6 \\sim C32-F7A \\sim C32-F7
with sigma of 0.02
F25-F26 \\sim F25-F24 \\sim F26-F24 \\sim F25A-F26A \\sim F25A-F24A \\sim
F26A-F24A
with sigma of 0.04
C56-F25 \\sim C56-F26 \\sim C56-F24 \\sim C56-F25A \\sim C56-F26A \\sim
C56-F24A
with sigma of 0.02
F18-F20 \\sim F18-F19 \\sim F20-F19 \\sim F18A-F19A \\sim F18A-F20A \\sim
F19A-F20A
with sigma of 0.04
C48-F18 \\sim C48-F20 \\sim C48-F19 \\sim C48-F18A \\sim C48-F19A \\sim
C48-F20A
with sigma of 0.02
Rh1-P1 \\sim Rh1-P2
with sigma of 0.01
F1-C2 \\sim F2-C1
with sigma of 0.02
C13A-C14A \\sim C13A-C16A \\sim C13A-C15A
with sigma of 0.02
C14A-C15A \\sim C15A-C16A \\sim C16A-C14A
with sigma of 0.01
C9A-C12A \\sim C9A-C11A \\sim C9A-C10A
with sigma of 0.02
C17A-C20A \\sim C17A-C19A \\sim C17A-C18A
with sigma of 0.02
C21A-C22A \\sim C21A-C23A \\sim C21A-C24A
with sigma of 0.02
F13-F12 \\sim F13-F14 \\sim F12-F14 \\sim F13A-F12A \\sim F13A-F14A \\sim
F12A-F14A
with sigma of 0.04
C40-F13 \\sim C40-F12 \\sim C40-F14 \\sim C40-F13A \\sim C40-F12A \\sim
C40-F14A
with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C32 \\sim F6 \\sim F7 \\sim F8 \\sim F6A \\sim F7A \\sim F8A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
C56 \\sim F24 \\sim F25 \\sim F26 \\sim F24A \\sim F25A \\sim F26A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C48 \\sim F18 \\sim F19 \\sim F20 \\sim F18A \\sim F19A \\sim F20A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
Rh1 \\sim P1 \\sim P2 \\sim F1 \\sim F2 \\sim C1 \\sim C3 \\sim C4 \\sim C5
\\sim C6 \\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13
\\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21
\\sim C22 \\sim C23 \\sim C24: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01
Rh1 \\sim P1 \\sim P2 \\sim F1 \\sim F2 \\sim C1 \\sim C2 \\sim C3 \\sim C4
\\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12
\\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C20
\\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim Rh1A \\sim P1A \\sim P2A \\sim
F1A \\sim F2A \\sim C1A \\sim C2A \\sim C3A \\sim C4A \\sim C5A \\sim C6A \\sim
C7A \\sim C8A \\sim C9A \\sim C10A \\sim C11A \\sim C12A \\sim C13A \\sim C14A
\\sim C15A \\sim C16A \\sim C17A \\sim C18A \\sim C19A \\sim C20A \\sim C21A
\\sim C22A \\sim C23A \\sim C24A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01
C40 \\sim F12 \\sim F13 \\sim F14 \\sim F12A \\sim F13A \\sim F14A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C32) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C56) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
C32, F6, F7, F8, F6A, F7A, F8A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
C56, F24, F25, F26, F24A, F25A, F26A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
C48, F18, F19, F20, F18A, F19A, F20A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
Rh1, P1, P2, F1, F2, C1, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14,
C15, C16, C17, C18, C19, C20, C21, C22, C23, C24
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
Rh1, P1, P2, F1, F2, C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13,
C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, Rh1A, P1A, P2A, F1A,
F2A, C1A, C2A, C3A, C4A, C5A, C6A, C7A, C8A, C9A, C10A, C11A, C12A, C13A, C14A,
C15A, C16A, C17A, C18A, C19A, C20A, C21A, C22A, C23A, C24A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
C40, F12, F13, F14, F12A, F13A, F14A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
Sof(F6A)=Sof(F7A)=Sof(F8A)=1-FVAR(1)
Sof(F6)=Sof(F7)=Sof(F8)=FVAR(1)
Sof(F24A)=Sof(F25A)=Sof(F26A)=1-FVAR(2)
Sof(F24)=Sof(F25)=Sof(F26)=FVAR(2)
Sof(F18A)=Sof(F19A)=Sof(F20A)=1-FVAR(3)
Sof(F18)=Sof(F19)=Sof(F20)=FVAR(3)
Sof(Rh1A)=Sof(P1A)=Sof(P2A)=Sof(F1A)=Sof(F2A)=Sof(C1A)=Sof(C2A)=Sof(C3A)=
Sof(H3A)=Sof(C4A)=Sof(H4A)=Sof(C5A)=Sof(H5A)=Sof(C6A)=Sof(H6A)=Sof(C7A)=
Sof(H7AA)=Sof(H7AB)=Sof(C8A)=Sof(H8AA)=Sof(H8AB)=Sof(C9A)=Sof(C10A)=Sof(H10D)=
Sof(H10E)=Sof(H10F)=Sof(C11A)=Sof(H11D)=Sof(H11E)=Sof(H11F)=Sof(C12A)=
Sof(H12D)=Sof(H12E)=Sof(H12F)=Sof(C13A)=Sof(C14A)=Sof(H14D)=Sof(H14E)=
Sof(H14F)=Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=Sof(C16A)=Sof(H16D)=
Sof(H16E)=Sof(H16F)=Sof(C17A)=Sof(C18A)=Sof(H18D)=Sof(H18E)=Sof(H18F)=
Sof(C19A)=Sof(H19D)=Sof(H19E)=Sof(H19F)=Sof(C20A)=Sof(H20D)=Sof(H20E)=
Sof(H20F)=Sof(C21A)=Sof(C22A)=Sof(H22F)=Sof(H22D)=Sof(H22E)=Sof(C23A)=
Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24A)=Sof(H24D)=Sof(H24E)=Sof(H24F)=1-FVAR(4)
Sof(Rh1)=Sof(P1)=Sof(P2)=Sof(F1)=Sof(F2)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(H3)=
Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5)=Sof(C6)=Sof(H6)=Sof(C7)=Sof(H7A)=Sof(H7B)=
Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(C9)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=
Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=
Sof(C13)=Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C15)=Sof(H15A)=Sof(H15B)=
Sof(H15C)=Sof(C16)=Sof(H16C)=Sof(H16A)=Sof(H16B)=Sof(C17)=Sof(C18)=Sof(H18A)=
Sof(H18B)=Sof(H18C)=Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C20)=Sof(H20A)=
Sof(H20B)=Sof(H20C)=Sof(C21)=Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=Sof(C23)=
Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=FVAR(4)
Sof(F12A)=Sof(F13A)=Sof(F14A)=1-FVAR(5)
Sof(F12)=Sof(F13)=Sof(F14)=FVAR(5)
6.a Secondary CH2 refined with riding coordinates:
C7(H7A,H7B), C8(H8A,H8B), C7A(H7AA,H7AB), C8A(H8AA,H8AB)
6.b Me refined with riding coordinates:
C10A(H10D,H10E,H10F), C11A(H11D,H11E,H11F), C12A(H12D,H12E,H12F), C14A(H14D,
H14E,H14F), C15A(H15D,H15E,H15F), C16A(H16D,H16E,H16F), C18A(H18D,H18E,H18F),
C19A(H19D,H19E,H19F), C20A(H20D,H20E,H20F), C22A(H22F,H22D,H22E), C23A(H23D,
H23E,H23F), C24A(H24D,H24E,H24F)
6.c Aromatic/amide H refined with riding coordinates:
C26(H26), C28(H28), C30(H30), C34(H34), C36(H36), C38(H38), C42(H42),
C44(H44), C46(H46), C50(H50), C52(H52), C54(H54), C3(H3), C4(H4), C5(H5),
C6(H6), C3A(H3A), C4A(H4A), C5A(H5A), C6A(H6A)
6.d Idealised Me refined as rotating group:
C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,
H14C), C15(H15A,H15B,H15C), C16(H16C,H16A,H16B), C18(H18A,H18B,H18C), C19(H19A,
H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C),
C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary dual
_atom_sites_solution_secondary ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
F3 F 0.58403(15) 0.6991(3) 0.0995(3) 0.0868(16) Uani 1 1 d . . . . .
F4 F 0.53819(18) 0.7050(3) 0.1732(4) 0.0979(18) Uani 1 1 d . . . . .
F5 F 0.52802(16) 0.6674(3) 0.0668(3) 0.0946(19) Uani 1 1 d . . . . .
F9 F 0.75617(16) 0.3393(3) 0.1684(3) 0.0896(17) Uani 1 1 d . . . . .
F10 F 0.70461(15) 0.3079(3) 0.1198(3) 0.0766(14) Uani 1 1 d . . . . .
F11 F 0.7445(2) 0.3736(3) 0.0622(3) 0.111(2) Uani 1 1 d . . . . .
F15 F 0.71531(19) 0.3210(3) 0.4423(4) 0.120(3) Uani 1 1 d . . . . .
F16 F 0.70497(14) 0.2358(3) 0.3683(3) 0.0799(14) Uani 1 1 d . . . . .
F17 F 0.6828(2) 0.2215(4) 0.4713(3) 0.106(2) Uani 1 1 d . . . . .
F21 F 0.70965(17) 0.6031(4) 0.4934(4) 0.105(2) Uani 1 1 d . . . . .
F22 F 0.70964(18) 0.6996(5) 0.4346(4) 0.121(3) Uani 1 1 d . . . . .
F23 F 0.68091(16) 0.7007(4) 0.5310(3) 0.099(2) Uani 1 1 d . . . . .
C25 C 0.59521(16) 0.5010(3) 0.2214(3) 0.0370(12) Uani 1 1 d . . . . .
C26 C 0.58603(17) 0.5724(4) 0.1961(4) 0.0442(14) Uani 1 1 d . . . . .
H26 H 0.597877 0.615070 0.217077 0.053 Uiso 1 1 calc R . . . .
C27 C 0.56045(19) 0.5842(4) 0.1418(4) 0.0527(16) Uani 1 1 d . . . . .
C28 C 0.5430(2) 0.5246(4) 0.1097(4) 0.062(2) Uani 1 1 d . . . . .
H28 H 0.524935 0.532674 0.073192 0.075 Uiso 1 1 calc R . . . .
C29 C 0.5521(3) 0.4529(5) 0.1309(5) 0.072(2) Uani 1 1 d . . . . .
C30 C 0.5776(2) 0.4405(4) 0.1868(4) 0.0525(16) Uani 1 1 d . . . . .
H30 H 0.583088 0.390293 0.201280 0.063 Uiso 1 1 calc R . . . .
C31 C 0.5522(2) 0.6632(5) 0.1208(5) 0.067(2) Uani 1 1 d . . . . .
C32 C 0.5319(3) 0.3875(6) 0.0996(6) 0.119(3) Uani 1 1 d D U . . .
C33 C 0.66666(15) 0.4949(3) 0.2333(3) 0.0348(11) Uani 1 1 d . . . . .
C34 C 0.68190(17) 0.4308(3) 0.2010(3) 0.0377(12) Uani 1 1 d . . . . .
H34 H 0.671357 0.382745 0.211116 0.045 Uiso 1 1 calc R . . . .
C35 C 0.71228(17) 0.4358(3) 0.1540(3) 0.0408(13) Uani 1 1 d . . . . .
C36 C 0.72760(17) 0.5046(3) 0.1361(3) 0.0418(13) Uani 1 1 d . . . . .
H36 H 0.747937 0.508155 0.103389 0.050 Uiso 1 1 calc R . . . .
C37 C 0.71243(17) 0.5682(3) 0.1672(3) 0.0407(13) Uani 1 1 d . . . . .
C38 C 0.68283(16) 0.5640(3) 0.2140(3) 0.0386(12) Uani 1 1 d . . . . .
H38 H 0.673054 0.609263 0.233936 0.046 Uiso 1 1 calc R . . . .
C39 C 0.7289(2) 0.3649(4) 0.1259(4) 0.0563(17) Uani 1 1 d . . . . .
C40 C 0.7289(2) 0.6434(4) 0.1487(4) 0.0663(15) Uani 1 1 d D U . . .
C41 C 0.62485(16) 0.4121(3) 0.3266(3) 0.0352(11) Uani 1 1 d . . . . .
C42 C 0.65664(18) 0.3752(3) 0.3537(3) 0.0396(12) Uani 1 1 d . . . . .
H42 H 0.680907 0.393834 0.341829 0.048 Uiso 1 1 calc R . . . .
C43 C 0.6537(2) 0.3117(4) 0.3976(3) 0.0506(16) Uani 1 1 d . . . . .
C44 C 0.6186(2) 0.2843(4) 0.4175(3) 0.0547(18) Uani 1 1 d . . . . .
H44 H 0.616443 0.241315 0.447453 0.066 Uiso 1 1 calc R . . . .
C45 C 0.5873(2) 0.3209(4) 0.3927(4) 0.0533(17) Uani 1 1 d . . . . .
C46 C 0.59029(18) 0.3835(4) 0.3483(3) 0.0448(14) Uani 1 1 d . . . . .
H46 H 0.567945 0.407430 0.332143 0.054 Uiso 1 1 calc R . . . .
C47 C 0.6889(3) 0.2735(5) 0.4211(4) 0.068(2) Uani 1 1 d . . . . .
C48 C 0.5505(3) 0.2933(5) 0.4169(5) 0.095(2) Uani 1 1 d D U . . .
C49 C 0.62545(16) 0.5561(3) 0.3421(3) 0.0373(12) Uani 1 1 d . . . . .
C50 C 0.65656(17) 0.5824(3) 0.3799(3) 0.0398(12) Uani 1 1 d . . . . .
H50 H 0.680850 0.564608 0.367075 0.048 Uiso 1 1 calc R . . . .
C51 C 0.65324(18) 0.6342(3) 0.4361(3) 0.0432(13) Uani 1 1 d . . . . .
C52 C 0.6186(2) 0.6602(4) 0.4565(4) 0.0529(16) Uani 1 1 d . . . . .
H52 H 0.616326 0.696907 0.493168 0.063 Uiso 1 1 calc R . . . .
C53 C 0.5875(2) 0.6325(5) 0.4235(4) 0.062(2) Uani 1 1 d . . . . .
C54 C 0.59068(18) 0.5826(4) 0.3660(4) 0.0522(17) Uani 1 1 d . . . . .
H54 H 0.568471 0.566243 0.342448 0.063 Uiso 1 1 calc R . . . .
C55 C 0.6878(2) 0.6590(5) 0.4736(4) 0.0605(19) Uani 1 1 d . . . . .
C56 C 0.5500(3) 0.6572(6) 0.4475(5) 0.105(2) Uani 1 1 d D U . . .
B1 B 0.62807(17) 0.4908(4) 0.2813(3) 0.0342(13) Uani 1 1 d . . . . .
F6 F 0.5154(4) 0.3970(8) 0.0371(7) 0.118(4) Uani 0.600(11) 1 d D U P A 1
F7 F 0.5048(4) 0.3586(7) 0.1453(7) 0.133(3) Uani 0.600(11) 1 d D U P A 1
F8 F 0.5549(4) 0.3313(7) 0.0886(9) 0.125(4) Uani 0.600(11) 1 d D U P A 1
F12 F 0.7255(3) 0.6560(5) 0.0747(5) 0.068(2) Uani 0.575(14) 1 d D U P B 1
F13 F 0.7656(3) 0.6416(10) 0.1576(7) 0.067(2) Uani 0.575(14) 1 d D U P B 1
F14 F 0.7118(3) 0.7024(5) 0.1746(8) 0.082(2) Uani 0.575(14) 1 d D U P B 1
F18 F 0.5429(5) 0.2983(11) 0.4884(6) 0.101(3) Uani 0.454(14) 1 d D U P C 1
F19 F 0.5433(5) 0.2202(7) 0.4054(11) 0.109(3) Uani 0.454(14) 1 d D U P C 1
F20 F 0.5205(3) 0.3328(10) 0.3903(9) 0.102(3) Uani 0.454(14) 1 d D U P C 1
F24 F 0.5442(3) 0.7331(7) 0.4305(8) 0.125(3) Uani 0.603(9) 1 d D U P D 1
F25 F 0.5480(3) 0.6644(8) 0.5193(5) 0.106(3) Uani 0.603(9) 1 d D U P D 1
F26 F 0.5207(2) 0.6253(8) 0.4218(7) 0.110(3) Uani 0.603(9) 1 d D U P D 1
F6A F 0.5381(7) 0.3959(13) 0.0287(8) 0.130(4) Uani 0.400(11) 1 d D U P A 2
F7A F 0.4985(5) 0.4001(12) 0.0730(13) 0.128(4) Uani 0.400(11) 1 d D U P A 2
F8A F 0.5392(6) 0.3193(7) 0.1158(13) 0.111(4) Uani 0.400(11) 1 d D U P A 2
F12A F 0.7132(5) 0.6799(8) 0.0973(9) 0.086(3) Uani 0.425(14) 1 d D U P B 2
F13A F 0.7662(3) 0.6487(15) 0.1389(10) 0.070(3) Uani 0.425(14) 1 d D U P B 2
F14A F 0.7265(4) 0.6905(6) 0.2094(7) 0.067(2) Uani 0.425(14) 1 d D U P B 2
F18A F 0.5387(4) 0.3317(9) 0.4730(8) 0.111(3) Uani 0.546(14) 1 d D U P C 2
F19A F 0.5529(4) 0.2211(6) 0.4420(8) 0.102(3) Uani 0.546(14) 1 d D U P C 2
F20A F 0.5263(3) 0.2913(9) 0.3629(7) 0.103(3) Uani 0.546(14) 1 d D U P C 2
F24A F 0.5288(5) 0.6824(12) 0.3932(8) 0.117(3) Uani 0.397(9) 1 d D U P D 2
F25A F 0.5465(5) 0.7085(11) 0.4964(11) 0.116(3) Uani 0.397(9) 1 d D U P D 2
F26A F 0.5292(4) 0.5943(8) 0.4657(11) 0.112(3) Uani 0.397(9) 1 d D U P D 2
Rh1 Rh 0.62190(2) 0.92991(4) 0.25731(3) 0.0454(2) Uani 0.7791(16) 1 d D U P E 1
P1 P 0.60956(8) 1.04952(16) 0.21810(16) 0.0452(6) Uani 0.7791(16) 1 d D U P E 1
P2 P 0.65103(6) 0.98495(12) 0.35367(11) 0.0403(4) Uani 0.7791(16) 1 d D U P E 1
F1 F 0.5822(4) 0.7869(6) 0.3447(7) 0.149(3) Uani 0.7791(16) 1 d D U P E 1
F2 F 0.6547(3) 0.7709(6) 0.3053(7) 0.137(3) Uani 0.7791(16) 1 d D U P E 1
C1 C 0.6318(6) 0.8071(10) 0.2698(12) 0.118(3) Uani 0.7791(16) 1 d D U P E 1
C2 C 0.5992(6) 0.8115(10) 0.2880(11) 0.120(3) Uani 0.7791(16) 1 d D U P E 1
C3 C 0.6472(6) 0.8247(11) 0.2070(11) 0.110(3) Uani 0.7791(16) 1 d . U P E 1
H3 H 0.672982 0.817559 0.195503 0.132 Uiso 0.7791(16) 1 calc R . P E 1
C4 C 0.6194(5) 0.8561(8) 0.1583(10) 0.104(3) Uani 0.7791(16) 1 d . U P E 1
H4 H 0.627422 0.868537 0.111398 0.125 Uiso 0.7791(16) 1 calc R . P E 1
C5 C 0.5841(5) 0.8685(8) 0.1747(9) 0.101(3) Uani 0.7791(16) 1 d . U P E 1
H5 H 0.567989 0.895394 0.143276 0.121 Uiso 0.7791(16) 1 calc R . P E 1
C6 C 0.5712(5) 0.8416(8) 0.2385(10) 0.108(3) Uani 0.7791(16) 1 d . U P E 1
H6 H 0.545245 0.842480 0.250140 0.129 Uiso 0.7791(16) 1 calc R . P E 1
C7 C 0.6349(3) 1.1172(5) 0.2759(5) 0.0517(17) Uani 0.7791(16) 1 d . U P E 1
H7A H 0.659839 1.128130 0.254722 0.062 Uiso 0.7791(16) 1 calc R . P E 1
H7B H 0.620632 1.165110 0.277929 0.062 Uiso 0.7791(16) 1 calc R . P E 1
C8 C 0.6404(2) 1.0872(5) 0.3515(4) 0.0453(16) Uani 0.7791(16) 1 d . U P E 1
H8A H 0.617221 1.096835 0.379396 0.054 Uiso 0.7791(16) 1 calc R . P E 1
H8B H 0.661211 1.115193 0.374492 0.054 Uiso 0.7791(16) 1 calc R . P E 1
C9 C 0.6287(3) 1.0723(6) 0.1264(5) 0.0589(16) Uani 0.7791(16) 1 d . U P E 1
C10 C 0.6343(4) 1.1588(7) 0.1128(6) 0.071(2) Uani 0.7791(16) 1 d . U P E 1
H10A H 0.609764 1.184177 0.113464 0.107 Uiso 0.7791(16) 1 calc GR . P E 1
H10B H 0.646161 1.166356 0.066160 0.107 Uiso 0.7791(16) 1 calc GR . P E 1
H10C H 0.650366 1.180109 0.150110 0.107 Uiso 0.7791(16) 1 calc GR . P E 1
C11 C 0.6670(3) 1.0355(7) 0.1197(5) 0.064(2) Uani 0.7791(16) 1 d . U P E 1
H11A H 0.684020 1.056643 0.155564 0.096 Uiso 0.7791(16) 1 calc GR . P E 1
H11B H 0.677157 1.045001 0.071959 0.096 Uiso 0.7791(16) 1 calc GR . P E 1
H11C H 0.664553 0.980920 0.127168 0.096 Uiso 0.7791(16) 1 calc GR . P E 1
C12 C 0.6029(4) 1.0410(7) 0.0666(6) 0.069(2) Uani 0.7791(16) 1 d . U P E 1
H12A H 0.599450 0.986536 0.073387 0.103 Uiso 0.7791(16) 1 calc GR . P E 1
H12B H 0.614605 1.050239 0.020127 0.103 Uiso 0.7791(16) 1 calc GR . P E 1
H12C H 0.578441 1.066293 0.068620 0.103 Uiso 0.7791(16) 1 calc GR . P E 1
C13 C 0.5587(3) 1.0810(7) 0.2241(6) 0.0696(18) Uani 0.7791(16) 1 d . U P E 1
C14 C 0.5496(3) 1.0851(8) 0.3067(6) 0.074(2) Uani 0.7791(16) 1 d . U P E 1
H14A H 0.555641 1.036600 0.329036 0.112 Uiso 0.7791(16) 1 calc GR . P E 1
H14B H 0.522873 1.096299 0.313381 0.112 Uiso 0.7791(16) 1 calc GR . P E 1
H14C H 0.564777 1.125080 0.328657 0.112 Uiso 0.7791(16) 1 calc GR . P E 1
C15 C 0.5514(3) 1.1597(8) 0.1943(7) 0.079(3) Uani 0.7791(16) 1 d . U P E 1
H15A H 0.570549 1.194646 0.212201 0.119 Uiso 0.7791(16) 1 calc GR . P E 1
H15B H 0.526431 1.176908 0.209530 0.119 Uiso 0.7791(16) 1 calc GR . P E 1
H15C H 0.552410 1.158092 0.142154 0.119 Uiso 0.7791(16) 1 calc GR . P E 1
C16 C 0.5324(3) 1.0246(8) 0.1912(7) 0.081(2) Uani 0.7791(16) 1 d . U P E 1
H16C H 0.535808 0.975378 0.214124 0.122 Uiso 0.7791(16) 1 calc GR . P E 1
H16A H 0.537826 1.020153 0.140112 0.122 Uiso 0.7791(16) 1 calc GR . P E 1
H16B H 0.506384 1.041527 0.197740 0.122 Uiso 0.7791(16) 1 calc GR . P E 1
C17 C 0.6315(3) 0.9535(7) 0.4445(5) 0.0605(18) Uani 0.7791(16) 1 d . U P E 1
C18 C 0.5883(3) 0.9472(7) 0.4355(5) 0.068(2) Uani 0.7791(16) 1 d . U P E 1
H18A H 0.577654 0.997557 0.428122 0.103 Uiso 0.7791(16) 1 calc GR . P E 1
H18B H 0.577414 0.924618 0.478484 0.103 Uiso 0.7791(16) 1 calc GR . P E 1
H18C H 0.582633 0.915249 0.394201 0.103 Uiso 0.7791(16) 1 calc GR . P E 1
C19 C 0.6396(3) 1.0119(7) 0.5043(5) 0.069(2) Uani 0.7791(16) 1 d . U P E 1
H19A H 0.666829 1.017403 0.510392 0.104 Uiso 0.7791(16) 1 calc GR . P E 1
H19B H 0.628399 0.994317 0.549116 0.104 Uiso 0.7791(16) 1 calc GR . P E 1
H19C H 0.628638 1.060746 0.491277 0.104 Uiso 0.7791(16) 1 calc GR . P E 1
C20 C 0.6481(4) 0.8762(7) 0.4639(6) 0.073(2) Uani 0.7791(16) 1 d . U P E 1
H20A H 0.645287 0.841663 0.423375 0.110 Uiso 0.7791(16) 1 calc GR . P E 1
H20B H 0.634799 0.855628 0.505294 0.110 Uiso 0.7791(16) 1 calc GR . P E 1
H20C H 0.674861 0.881877 0.475298 0.110 Uiso 0.7791(16) 1 calc GR . P E 1
C21 C 0.7044(3) 0.9806(6) 0.3552(5) 0.0543(16) Uani 0.7791(16) 1 d . U P E 1
C22 C 0.7214(3) 1.0108(7) 0.4251(5) 0.066(2) Uani 0.7791(16) 1 d . U P E 1
H22A H 0.711038 1.060851 0.435415 0.098 Uiso 0.7791(16) 1 calc GR . P E 1
H22B H 0.748816 1.014426 0.420208 0.098 Uiso 0.7791(16) 1 calc GR . P E 1
H22C H 0.715278 0.976226 0.464232 0.098 Uiso 0.7791(16) 1 calc GR . P E 1
C23 C 0.7188(3) 1.0296(6) 0.2942(5) 0.0562(19) Uani 0.7791(16) 1 d . U P E 1
H23A H 0.708262 1.011378 0.249063 0.084 Uiso 0.7791(16) 1 calc GR . P E 1
H23B H 0.746270 1.026992 0.292341 0.084 Uiso 0.7791(16) 1 calc GR . P E 1
H23C H 0.710947 1.082076 0.301956 0.084 Uiso 0.7791(16) 1 calc GR . P E 1
C24 C 0.7172(3) 0.8976(7) 0.3406(7) 0.075(2) Uani 0.7791(16) 1 d . U P E 1
H24A H 0.707793 0.864642 0.378621 0.112 Uiso 0.7791(16) 1 calc GR . P E 1
H24B H 0.744730 0.895299 0.339372 0.112 Uiso 0.7791(16) 1 calc GR . P E 1
H24C H 0.707075 0.880756 0.294678 0.112 Uiso 0.7791(16) 1 calc GR . P E 1
Rh1A Rh 0.58472(6) 0.98980(11) 0.28347(10) 0.0385(6) Uani 0.2209(16) 1 d . U P E
2
P1A P 0.6444(2) 0.9528(4) 0.3107(4) 0.0431(14) Uani 0.2209(16) 1 d . U P E 2
P2A P 0.6103(3) 1.0487(5) 0.1861(5) 0.0396(16) Uani 0.2209(16) 1 d . U P E 2
F1A F 0.5015(7) 0.9382(16) 0.2007(14) 0.088(4) Uani 0.2209(16) 1 d . U P E 2
F2A F 0.5052(6) 1.0787(16) 0.2426(13) 0.080(3) Uani 0.2209(16) 1 d . U P E 2
C1A C 0.5231(12) 0.961(3) 0.260(2) 0.079(3) Uani 0.2209(16) 1 d . U P E 2
C2A C 0.5237(11) 1.034(3) 0.280(2) 0.075(3) Uani 0.2209(16) 1 d . U P E 2
C3A C 0.5379(11) 1.050(3) 0.347(2) 0.072(3) Uani 0.2209(16) 1 d . U P E 2
H3A H 0.536425 1.100220 0.364037 0.086 Uiso 0.2209(16) 1 calc R . P E 2
C4A C 0.5545(10) 0.994(2) 0.390(2) 0.069(3) Uani 0.2209(16) 1 d . U P E 2
H4A H 0.565890 1.006943 0.434643 0.082 Uiso 0.2209(16) 1 calc R . P E 2
C5A C 0.5538(11) 0.924(3) 0.367(2) 0.070(4) Uani 0.2209(16) 1 d . U P E 2
H5A H 0.564473 0.884913 0.395620 0.084 Uiso 0.2209(16) 1 calc R . P E 2
C6A C 0.5378(11) 0.906(3) 0.303(2) 0.074(4) Uani 0.2209(16) 1 d . U P E 2
H6A H 0.536766 0.855184 0.288652 0.089 Uiso 0.2209(16) 1 calc R . P E 2
C7A C 0.6768(9) 1.005(2) 0.2493(15) 0.050(3) Uani 0.2209(16) 1 d . U P E 2
H7AA H 0.682573 1.054788 0.269977 0.060 Uiso 0.2209(16) 1 calc R . P E 2
H7AB H 0.700762 0.976342 0.245479 0.060 Uiso 0.2209(16) 1 calc R . P E 2
C8A C 0.6606(9) 1.015(2) 0.1758(15) 0.051(3) Uani 0.2209(16) 1 d . U P E 2
H8AA H 0.661264 0.966943 0.149255 0.061 Uiso 0.2209(16) 1 calc R . P E 2
H8AB H 0.675472 1.053039 0.149024 0.061 Uiso 0.2209(16) 1 calc R . P E 2
C9A C 0.6607(8) 0.9810(15) 0.3960(19) 0.055(2) Uani 0.2209(16) 1 d D U P E 2
C10A C 0.6471(13) 0.930(3) 0.4606(19) 0.066(3) Uani 0.2209(16) 1 d D U P E 2
H10D H 0.653098 0.877420 0.450881 0.098 Uiso 0.2209(16) 1 calc R . P E 2
H10E H 0.659878 0.946579 0.504269 0.098 Uiso 0.2209(16) 1 calc R . P E 2
H10F H 0.619828 0.935961 0.466626 0.098 Uiso 0.2209(16) 1 calc R . P E 2
C11A C 0.7049(9) 0.982(2) 0.403(2) 0.064(3) Uani 0.2209(16) 1 d D U P E 2
H11D H 0.714787 0.931041 0.394222 0.096 Uiso 0.2209(16) 1 calc R . P E 2
H11E H 0.715615 1.017322 0.368921 0.096 Uiso 0.2209(16) 1 calc R . P E 2
H11F H 0.711796 0.997423 0.451832 0.096 Uiso 0.2209(16) 1 calc R . P E 2
C12A C 0.6507(10) 1.0662(17) 0.4125(17) 0.054(3) Uani 0.2209(16) 1 d D U P E 2
H12D H 0.623421 1.073310 0.409545 0.081 Uiso 0.2209(16) 1 calc R . P E 2
H12E H 0.659364 1.079063 0.460625 0.081 Uiso 0.2209(16) 1 calc R . P E 2
H12F H 0.663184 1.098962 0.377713 0.081 Uiso 0.2209(16) 1 calc R . P E 2
C13A C 0.6561(12) 0.843(3) 0.294(2) 0.117(3) Uani 0.2209(16) 1 d D U P E 2
C14A C 0.6906(15) 0.823(3) 0.323(3) 0.110(4) Uani 0.2209(16) 1 d D U P E 2
H14D H 0.692745 0.844189 0.371434 0.166 Uiso 0.2209(16) 1 calc R . P E 2
H14E H 0.692196 0.767445 0.326402 0.166 Uiso 0.2209(16) 1 calc R . P E 2
H14F H 0.711146 0.841685 0.293602 0.166 Uiso 0.2209(16) 1 calc R . P E 2
C15A C 0.6278(16) 0.810(4) 0.335(3) 0.126(3) Uani 0.2209(16) 1 d D U P E 2
H15D H 0.628429 0.831585 0.382917 0.189 Uiso 0.2209(16) 1 calc R . P E 2
H15E H 0.603300 0.820461 0.312910 0.189 Uiso 0.2209(16) 1 calc R . P E 2
H15F H 0.631918 0.755621 0.337187 0.189 Uiso 0.2209(16) 1 calc R . P E 2
C16A C 0.6543(19) 0.812(5) 0.226(3) 0.117(3) Uani 0.2209(16) 1 d D U P E 2
H16D H 0.673875 0.833697 0.195491 0.176 Uiso 0.2209(16) 1 calc R . P E 2
H16E H 0.658146 0.756858 0.229064 0.176 Uiso 0.2209(16) 1 calc R . P E 2
H16F H 0.629528 0.821698 0.204787 0.176 Uiso 0.2209(16) 1 calc R . P E 2
C17A C 0.6125(7) 1.156(2) 0.1902(13) 0.056(2) Uani 0.2209(16) 1 d D U P E 2
C18A C 0.6405(9) 1.1770(19) 0.2448(16) 0.054(4) Uani 0.2209(16) 1 d D U P E 2
H18D H 0.665170 1.156977 0.231527 0.081 Uiso 0.2209(16) 1 calc R . P E 2
H18E H 0.641808 1.232178 0.248177 0.081 Uiso 0.2209(16) 1 calc R . P E 2
H18F H 0.632938 1.156130 0.291084 0.081 Uiso 0.2209(16) 1 calc R . P E 2
C19A C 0.5757(10) 1.187(2) 0.212(2) 0.066(3) Uani 0.2209(16) 1 d D U P E 2
H19D H 0.556567 1.173423 0.176862 0.099 Uiso 0.2209(16) 1 calc R . P E 2
H19E H 0.568675 1.165856 0.258728 0.099 Uiso 0.2209(16) 1 calc R . P E 2
H19F H 0.577545 1.241904 0.215821 0.099 Uiso 0.2209(16) 1 calc R . P E 2
C20A C 0.6215(11) 1.195(2) 0.1228(19) 0.062(4) Uani 0.2209(16) 1 d D U P E 2
H20D H 0.645797 1.177343 0.104683 0.094 Uiso 0.2209(16) 1 calc R . P E 2
H20E H 0.601873 1.185033 0.087476 0.094 Uiso 0.2209(16) 1 calc R . P E 2
H20F H 0.622932 1.249739 0.131678 0.094 Uiso 0.2209(16) 1 calc R . P E 2
C21A C 0.5890(9) 1.0122(17) 0.0943(18) 0.062(3) Uani 0.2209(16) 1 d D U P E 2
C22A C 0.5834(13) 0.928(2) 0.100(2) 0.075(4) Uani 0.2209(16) 1 d D U P E 2
H22F H 0.607695 0.903828 0.108252 0.112 Uiso 0.2209(16) 1 calc R . P E 2
H22D H 0.566647 0.917662 0.140752 0.112 Uiso 0.2209(16) 1 calc R . P E 2
H22E H 0.572037 0.909202 0.056422 0.112 Uiso 0.2209(16) 1 calc R . P E 2
C23A C 0.5523(10) 1.051(2) 0.082(2) 0.067(4) Uani 0.2209(16) 1 d D U P E 2
H23D H 0.535071 1.039451 0.121583 0.100 Uiso 0.2209(16) 1 calc R . P E 2
H23E H 0.556414 1.105980 0.080384 0.100 Uiso 0.2209(16) 1 calc R . P E 2
H23F H 0.541305 1.034169 0.037231 0.100 Uiso 0.2209(16) 1 calc R . P E 2
C24A C 0.6152(12) 1.030(2) 0.034(2) 0.063(3) Uani 0.2209(16) 1 d D U P E 2
H24D H 0.639316 1.004852 0.041800 0.094 Uiso 0.2209(16) 1 calc R . P E 2
H24E H 0.604182 1.013331 -0.010938 0.094 Uiso 0.2209(16) 1 calc R . P E 2
H24F H 0.619291 1.085142 0.032215 0.094 Uiso 0.2209(16) 1 calc R . P E 2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
F3 0.081(3) 0.062(3) 0.117(4) 0.021(3) -0.019(3) -0.006(2)
F4 0.109(4) 0.069(3) 0.115(5) -0.002(3) -0.007(4) 0.038(3)
F5 0.090(4) 0.080(4) 0.114(4) 0.032(3) -0.049(3) -0.004(3)
F9 0.090(4) 0.061(3) 0.118(4) -0.030(3) -0.022(3) 0.036(3)
F10 0.093(3) 0.051(2) 0.086(3) -0.031(2) 0.015(3) -0.004(2)
F11 0.177(6) 0.069(3) 0.086(4) -0.014(3) 0.081(4) 0.013(4)
F15 0.122(5) 0.072(3) 0.166(6) -0.023(4) -0.103(5) 0.017(3)
F16 0.076(3) 0.075(3) 0.089(4) -0.007(3) -0.014(3) 0.019(3)
F17 0.148(6) 0.093(4) 0.076(4) 0.030(3) -0.028(4) 0.028(4)
F21 0.097(4) 0.094(4) 0.125(5) -0.038(4) -0.067(4) 0.028(3)
F22 0.091(4) 0.162(7) 0.111(5) 0.004(5) -0.021(4) -0.074(4)
F23 0.089(4) 0.112(4) 0.096(4) -0.062(4) -0.031(3) 0.004(3)
C25 0.035(3) 0.039(3) 0.037(3) -0.005(2) -0.003(2) 0.003(2)
C26 0.039(3) 0.040(3) 0.053(4) -0.003(3) -0.008(3) 0.003(2)
C27 0.043(3) 0.054(4) 0.061(4) 0.007(3) -0.012(3) 0.001(3)
C28 0.064(4) 0.059(4) 0.063(4) 0.004(4) -0.031(4) -0.002(4)
C29 0.083(6) 0.058(4) 0.074(5) -0.001(4) -0.044(5) -0.009(4)
C30 0.060(4) 0.040(3) 0.057(4) -0.007(3) -0.019(3) -0.003(3)
C31 0.064(5) 0.065(5) 0.072(5) 0.015(4) -0.016(4) -0.003(4)
C32 0.140(6) 0.094(4) 0.123(5) -0.021(4) -0.066(5) -0.020(4)
C33 0.034(3) 0.035(3) 0.035(3) -0.001(2) -0.006(2) 0.000(2)
C34 0.049(3) 0.032(3) 0.033(3) -0.004(2) -0.004(2) -0.002(2)
C35 0.045(3) 0.041(3) 0.037(3) -0.005(2) -0.002(2) 0.002(2)
C36 0.040(3) 0.046(3) 0.039(3) -0.002(3) 0.004(2) 0.004(2)
C37 0.038(3) 0.039(3) 0.045(3) 0.005(3) 0.003(2) 0.001(2)
C38 0.039(3) 0.032(3) 0.045(3) -0.004(2) -0.002(2) 0.003(2)
C39 0.063(4) 0.051(4) 0.054(4) -0.015(3) 0.014(3) 0.004(3)
C40 0.066(3) 0.043(3) 0.090(4) 0.010(3) 0.024(3) -0.005(3)
C41 0.041(3) 0.031(3) 0.034(3) -0.005(2) -0.001(2) -0.004(2)
C42 0.047(3) 0.039(3) 0.033(3) -0.004(2) -0.004(2) -0.002(2)
C43 0.072(4) 0.044(3) 0.036(3) 0.000(3) -0.011(3) 0.002(3)
C44 0.092(5) 0.037(3) 0.035(3) -0.001(3) 0.003(3) -0.012(3)
C45 0.069(4) 0.048(4) 0.043(3) -0.010(3) 0.010(3) -0.018(3)
C46 0.047(3) 0.046(3) 0.041(3) -0.001(3) 0.002(3) -0.004(3)
C47 0.096(6) 0.052(4) 0.056(4) 0.004(3) -0.030(4) 0.016(4)
C48 0.080(4) 0.107(5) 0.098(5) 0.015(4) 0.021(3) -0.039(4)
C49 0.036(3) 0.035(3) 0.041(3) -0.006(2) -0.002(2) -0.003(2)
C50 0.041(3) 0.038(3) 0.040(3) -0.003(2) -0.004(2) 0.001(2)
C51 0.050(3) 0.039(3) 0.040(3) -0.004(3) -0.006(3) -0.008(3)
C52 0.057(4) 0.050(4) 0.051(4) -0.020(3) 0.003(3) -0.004(3)
C53 0.046(4) 0.074(5) 0.065(5) -0.032(4) 0.000(3) 0.005(3)
C54 0.040(3) 0.061(4) 0.056(4) -0.031(3) -0.003(3) -0.003(3)
C55 0.062(4) 0.059(4) 0.060(4) -0.019(4) -0.014(4) -0.006(4)
C56 0.073(4) 0.131(5) 0.111(5) -0.052(4) -0.006(4) 0.028(4)
B1 0.031(3) 0.035(3) 0.037(3) -0.005(2) -0.004(2) -0.001(2)
F6 0.134(8) 0.102(5) 0.119(6) -0.027(5) -0.081(6) -0.017(6)
F7 0.147(7) 0.105(5) 0.148(7) -0.020(5) -0.052(6) -0.049(5)
F8 0.158(8) 0.083(5) 0.135(7) -0.036(5) -0.077(6) -0.007(5)
F12 0.068(4) 0.049(4) 0.087(4) 0.027(3) 0.016(3) 0.004(3)
F13 0.064(3) 0.054(4) 0.084(6) 0.012(5) 0.012(4) -0.025(3)
F14 0.088(5) 0.042(3) 0.117(6) 0.008(4) 0.042(4) 0.000(3)
F18 0.090(5) 0.115(7) 0.097(5) 0.024(5) 0.031(5) -0.025(6)
F19 0.095(6) 0.110(5) 0.123(7) 0.017(5) 0.011(6) -0.050(5)
F20 0.070(5) 0.125(7) 0.112(6) 0.026(6) 0.025(5) -0.036(5)
F24 0.090(5) 0.146(6) 0.140(6) -0.021(6) -0.006(5) 0.051(5)
F25 0.078(4) 0.142(7) 0.100(5) -0.053(5) 0.005(4) 0.033(5)
F26 0.056(4) 0.157(7) 0.118(6) -0.058(6) -0.006(4) 0.026(5)
F6A 0.157(8) 0.105(5) 0.127(6) -0.027(5) -0.062(6) -0.018(6)
F7A 0.142(7) 0.105(5) 0.136(7) -0.020(6) -0.068(6) -0.022(6)
F8A 0.137(8) 0.069(5) 0.127(8) -0.027(5) -0.061(7) -0.028(5)
F12A 0.094(5) 0.057(5) 0.107(6) 0.026(5) 0.006(5) -0.002(5)
F13A 0.064(4) 0.059(5) 0.085(6) 0.012(5) 0.024(4) -0.019(4)
F14A 0.075(5) 0.037(4) 0.091(5) 0.010(4) 0.024(4) -0.009(4)
F18A 0.089(5) 0.128(7) 0.116(6) 0.001(5) 0.037(5) -0.032(6)
F19A 0.096(5) 0.111(5) 0.098(6) 0.022(5) 0.010(5) -0.049(5)
F20A 0.074(5) 0.117(6) 0.119(6) 0.027(5) 0.004(4) -0.052(5)
F24A 0.073(5) 0.145(8) 0.133(7) -0.040(6) -0.008(5) 0.047(6)
F25A 0.086(5) 0.140(7) 0.121(6) -0.057(6) 0.004(6) 0.039(6)
F26A 0.067(5) 0.147(7) 0.123(7) -0.046(6) 0.016(5) 0.027(5)
Rh1 0.0542(4) 0.0424(3) 0.0396(3) -0.0039(2) 0.0017(2) -0.0118(3)
P1 0.0432(11) 0.0514(12) 0.0411(13) 0.0063(13) -0.0049(12) -0.0010(9)
P2 0.0459(10) 0.0434(10) 0.0316(10) 0.0018(8) 0.0020(8) -0.0033(8)
F1 0.165(7) 0.113(6) 0.168(7) 0.026(5) 0.008(6) -0.011(5)
F2 0.148(6) 0.108(5) 0.155(6) 0.000(5) -0.005(5) 0.003(4)
C1 0.136(6) 0.075(5) 0.142(6) -0.001(5) -0.004(5) 0.000(5)
C2 0.141(6) 0.076(5) 0.145(6) 0.007(5) 0.002(5) -0.018(5)
C3 0.123(6) 0.072(6) 0.135(6) -0.017(5) -0.005(5) 0.000(5)
C4 0.120(6) 0.077(5) 0.115(6) -0.035(5) -0.016(5) -0.015(5)
C5 0.118(6) 0.078(5) 0.107(6) -0.037(5) -0.018(5) -0.024(5)
C6 0.128(7) 0.072(6) 0.123(7) -0.023(5) -0.014(6) -0.033(6)
C7 0.056(4) 0.049(4) 0.049(3) -0.001(3) -0.004(3) 0.000(3)
C8 0.051(4) 0.043(3) 0.042(3) -0.008(3) 0.000(3) -0.002(3)
C9 0.065(3) 0.067(3) 0.045(3) 0.011(3) -0.003(3) -0.003(3)
C10 0.079(5) 0.074(5) 0.060(5) 0.020(4) -0.001(4) -0.007(4)
C11 0.069(4) 0.082(5) 0.039(4) 0.008(4) 0.008(4) 0.002(4)
C12 0.080(5) 0.077(5) 0.050(5) 0.006(4) -0.011(4) -0.003(4)
C13 0.055(3) 0.087(4) 0.067(4) 0.013(4) -0.004(3) 0.012(3)
C14 0.055(4) 0.098(5) 0.071(4) 0.009(4) 0.009(4) 0.017(4)
C15 0.067(5) 0.092(6) 0.079(6) 0.014(5) -0.003(5) 0.025(5)
C16 0.063(4) 0.103(5) 0.079(5) 0.010(4) -0.006(4) 0.002(4)
C17 0.063(4) 0.075(4) 0.043(3) 0.012(3) 0.006(3) -0.007(3)
C18 0.062(4) 0.093(6) 0.050(4) 0.015(4) 0.014(4) -0.012(4)
C19 0.072(5) 0.097(6) 0.039(4) 0.004(4) 0.008(4) -0.009(5)
C20 0.085(5) 0.078(5) 0.056(5) 0.028(4) 0.003(4) -0.003(5)
C21 0.050(3) 0.067(4) 0.046(3) 0.009(3) -0.001(3) 0.003(3)
C22 0.059(5) 0.085(5) 0.053(4) 0.005(4) -0.007(4) -0.006(4)
C23 0.044(4) 0.073(5) 0.051(4) 0.008(4) 0.007(3) -0.003(4)
C24 0.073(5) 0.074(5) 0.077(5) 0.006(4) 0.000(4) 0.014(4)
Rh1A 0.0466(11) 0.0397(11) 0.0293(10) 0.0015(7) 0.0110(7) 0.0046(8)
P1A 0.055(3) 0.046(3) 0.028(3) 0.005(3) -0.002(3) 0.009(3)
P2A 0.043(3) 0.044(3) 0.032(3) 0.008(3) 0.002(3) 0.002(3)
F1A 0.069(7) 0.110(8) 0.084(7) 0.005(7) -0.004(6) -0.002(7)
F2A 0.061(5) 0.102(6) 0.077(6) 0.011(5) 0.001(5) 0.011(5)
C1A 0.062(6) 0.100(6) 0.076(6) 0.007(6) 0.003(6) 0.001(6)
C2A 0.058(5) 0.097(5) 0.071(5) 0.010(5) 0.004(5) 0.008(5)
C3A 0.057(7) 0.094(7) 0.063(6) 0.010(6) 0.014(6) 0.007(6)
C4A 0.058(7) 0.093(7) 0.055(6) 0.014(6) 0.019(6) -0.001(6)
C5A 0.059(7) 0.093(7) 0.058(7) 0.014(6) 0.020(6) -0.004(7)
C6A 0.061(8) 0.096(7) 0.067(7) 0.010(7) 0.015(7) -0.003(7)
C7A 0.050(6) 0.066(6) 0.033(5) 0.010(6) 0.003(5) 0.006(6)
C8A 0.055(5) 0.064(5) 0.035(5) 0.010(5) 0.004(5) 0.003(5)
C9A 0.059(4) 0.063(4) 0.044(4) 0.007(4) 0.004(4) 0.001(4)
C10A 0.072(6) 0.078(6) 0.047(5) 0.013(5) 0.004(5) -0.003(6)
C11A 0.061(5) 0.073(6) 0.059(6) 0.006(6) -0.001(5) 0.003(5)
C12A 0.058(6) 0.058(5) 0.045(6) -0.002(5) 0.000(6) -0.003(5)
C13A 0.131(6) 0.081(5) 0.137(6) -0.004(5) -0.005(6) 0.001(5)
C14A 0.122(7) 0.087(7) 0.123(7) 0.000(7) 0.000(6) 0.006(7)
C15A 0.141(6) 0.089(6) 0.149(6) 0.006(6) 0.001(6) -0.003(6)
C16A 0.131(6) 0.083(6) 0.138(6) -0.011(6) -0.007(6) -0.003(6)
C17A 0.060(4) 0.060(4) 0.049(4) 0.009(4) -0.001(4) 0.001(4)
C18A 0.063(7) 0.051(7) 0.049(7) -0.001(7) -0.001(6) 0.002(7)
C19A 0.062(6) 0.075(7) 0.061(6) 0.012(6) -0.001(6) 0.010(6)
C20A 0.069(8) 0.065(8) 0.053(6) 0.012(7) 0.002(6) 0.000(7)
C21A 0.071(5) 0.066(5) 0.048(5) 0.001(5) -0.008(5) -0.004(5)
C22A 0.089(8) 0.066(6) 0.069(8) -0.016(7) -0.013(8) -0.014(7)
C23A 0.076(7) 0.073(8) 0.051(8) 0.003(7) -0.010(7) -0.002(7)
C24A 0.073(6) 0.068(7) 0.046(6) 0.005(6) -0.008(6) 0.000(6)
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F3 C31 1.359(10) . ?
F4 C31 1.328(11) . ?
F5 C31 1.331(9) . ?
F9 C39 1.334(9) . ?
F10 C39 1.333(9) . ?
F11 C39 1.325(9) . ?
F15 C47 1.321(10) . ?
F16 C47 1.324(10) . ?
F17 C47 1.335(10) . ?
F21 C55 1.311(10) . ?
F22 C55 1.284(10) . ?
F23 C55 1.329(9) . ?
C25 C26 1.390(8) . ?
C25 C30 1.400(8) . ?
C25 B1 1.632(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.381(9) . ?
C27 C28 1.364(10) . ?
C27 C31 1.482(11) . ?
C28 H28 0.9500 . ?
C28 C29 1.369(11) . ?
C29 C30 1.404(10) . ?
C29 C32 1.484(13) . ?
C30 H30 0.9500 . ?
C32 F6 1.322(12) . ?
C32 F7 1.385(12) . ?
C32 F8 1.305(12) . ?
C32 F6A 1.356(14) . ?
C32 F7A 1.305(14) . ?
C32 F8A 1.273(13) . ?
C33 C34 1.397(8) . ?
C33 C38 1.399(8) . ?
C33 B1 1.643(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.396(8) . ?
C35 C36 1.376(9) . ?
C35 C39 1.486(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.378(8) . ?
C37 C38 1.374(8) . ?
C37 C40 1.495(9) . ?
C38 H38 0.9500 . ?
C40 F12 1.410(10) . ?
C40 F13 1.315(11) . ?
C40 F14 1.303(9) . ?
C40 F12A 1.288(11) . ?
C40 F13A 1.342(12) . ?
C40 F14A 1.414(11) . ?
C41 C42 1.400(8) . ?
C41 C46 1.390(8) . ?
C41 B1 1.637(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.398(9) . ?
C43 C44 1.388(10) . ?
C43 C47 1.489(10) . ?
C44 H44 0.9500 . ?
C44 C45 1.369(11) . ?
C45 C46 1.391(9) . ?
C45 C48 1.470(11) . ?
C46 H46 0.9500 . ?
C48 F18 1.370(12) . ?
C48 F19 1.338(12) . ?
C48 F20 1.369(12) . ?
C48 F18A 1.320(12) . ?
C48 F19A 1.365(11) . ?
C48 F20A 1.328(11) . ?
C49 C50 1.393(8) . ?
C49 C54 1.395(8) . ?
C49 B1 1.627(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.404(8) . ?
C51 C52 1.369(9) . ?
C51 C55 1.483(9) . ?
C52 H52 0.9500 . ?
C52 C53 1.358(10) . ?
C53 C54 1.398(9) . ?
C53 C56 1.475(12) . ?
C54 H54 0.9500 . ?
C56 F24 1.397(12) . ?
C56 F25 1.354(11) . ?
C56 F26 1.280(11) . ?
C56 F24A 1.345(13) . ?
C56 F25A 1.296(12) . ?
C56 F26A 1.379(13) . ?
F6A F7A 1.64(3) . ?
Rh1 P1 2.285(3) . ?
Rh1 P2 2.300(2) . ?
Rh1 C1 2.215(17) . ?
Rh1 C2 2.319(16) . ?
Rh1 C3 2.27(2) . ?
Rh1 C4 2.272(15) . ?
Rh1 C5 2.321(13) . ?
Rh1 C6 2.411(15) . ?
P1 C7 1.851(9) . ?
P1 C9 1.893(10) . ?
P1 C13 1.894(11) . ?
P2 C8 1.851(9) . ?
P2 C17 1.921(10) . ?
P2 C21 1.899(9) . ?
F1 C2 1.298(17) . ?
F2 C1 1.233(17) . ?
C1 C2 1.21(3) . ?
C1 C3 1.34(3) . ?
C2 C6 1.46(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.46(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.31(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.37(2) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.526(12) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.566(15) . ?
C9 C11 1.515(15) . ?
C9 C12 1.550(15) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.583(16) . ?
C13 C15 1.525(16) . ?
C13 C16 1.501(17) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C17 C18 1.547(15) . ?
C17 C19 1.553(16) . ?
C17 C20 1.536(16) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.540(14) . ?
C21 C23 1.524(13) . ?
C21 C24 1.564(15) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
Rh1A P1A 2.277(8) . ?
Rh1A P2A 2.292(9) . ?
Rh1A C1A 2.29(4) . ?
Rh1A C2A 2.30(4) . ?
Rh1A C3A 2.30(4) . ?
Rh1A C4A 2.28(3) . ?
Rh1A C5A 2.25(4) . ?
Rh1A C6A 2.26(4) . ?
P1A C7A 1.87(3) . ?
P1A C9A 1.77(4) . ?
P1A C13A 2.01(6) . ?
P2A C8A 1.90(3) . ?
P2A C17A 1.90(4) . ?
P2A C21A 1.99(4) . ?
F1A C1A 1.41(5) . ?
F2A C2A 1.25(5) . ?
C1A C2A 1.34(7) . ?
C1A C6A 1.37(6) . ?
C2A C3A 1.38(6) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.41(6) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.32(6) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.36(6) . ?
C6A H6A 0.9500 . ?
C7A H7AA 0.9900 . ?
C7A H7AB 0.9900 . ?
C7A C8A 1.51(4) . ?
C8A H8AA 0.9900 . ?
C8A H8AB 0.9900 . ?
C9A C10A 1.58(3) . ?
C9A C11A 1.58(3) . ?
C9A C12A 1.58(3) . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C13A C14A 1.40(4) . ?
C13A C15A 1.40(5) . ?
C13A C16A 1.39(5) . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C17A C18A 1.48(3) . ?
C17A C19A 1.48(3) . ?
C17A C20A 1.48(3) . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 0.9800 . ?
C20A H20D 0.9800 . ?
C20A H20E 0.9800 . ?
C20A H20F 0.9800 . ?
C21A C22A 1.50(3) . ?
C21A C23A 1.49(3) . ?
C21A C24A 1.50(3) . ?
C22A H22F 0.9800 . ?
C22A H22D 0.9800 . ?
C22A H22E 0.9800 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C26 C25 C30 115.7(6) . . ?
C26 C25 B1 120.3(5) . . ?
C30 C25 B1 123.7(5) . . ?
C25 C26 H26 118.5 . . ?
C27 C26 C25 122.9(6) . . ?
C27 C26 H26 118.5 . . ?
C26 C27 C31 117.9(7) . . ?
C28 C27 C26 120.5(7) . . ?
C28 C27 C31 121.6(6) . . ?
C27 C28 H28 120.6 . . ?
C27 C28 C29 118.9(6) . . ?
C29 C28 H28 120.6 . . ?
C28 C29 C30 121.0(7) . . ?
C28 C29 C32 119.7(7) . . ?
C30 C29 C32 119.1(7) . . ?
C25 C30 C29 121.0(7) . . ?
C25 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
F3 C31 C27 110.8(7) . . ?
F4 C31 F3 105.6(7) . . ?
F4 C31 F5 106.8(7) . . ?
F4 C31 C27 113.9(7) . . ?
F5 C31 F3 106.7(7) . . ?
F5 C31 C27 112.5(7) . . ?
F6 C32 C29 117.8(11) . . ?
F6 C32 F7 106.7(12) . . ?
F7 C32 C29 112.4(10) . . ?
F8 C32 C29 110.8(11) . . ?
F8 C32 F6 103.5(13) . . ?
F8 C32 F7 104.5(13) . . ?
F6A C32 C29 102.9(13) . . ?
F7A C32 C29 117.3(13) . . ?
F7A C32 F6A 75.8(16) . . ?
F8A C32 C29 123.2(11) . . ?
F8A C32 F6A 107.7(18) . . ?
F8A C32 F7A 116.0(16) . . ?
C34 C33 C38 116.0(5) . . ?
C34 C33 B1 121.7(5) . . ?
C38 C33 B1 121.6(5) . . ?
C33 C34 H34 119.2 . . ?
C35 C34 C33 121.5(5) . . ?
C35 C34 H34 119.2 . . ?
C34 C35 C39 118.6(6) . . ?
C36 C35 C34 121.1(5) . . ?
C36 C35 C39 120.3(6) . . ?
C35 C36 H36 121.1 . . ?
C35 C36 C37 117.7(6) . . ?
C37 C36 H36 121.1 . . ?
C36 C37 C40 118.5(6) . . ?
C38 C37 C36 121.8(6) . . ?
C38 C37 C40 119.8(6) . . ?
C33 C38 H38 119.1 . . ?
C37 C38 C33 121.8(5) . . ?
C37 C38 H38 119.1 . . ?
F9 C39 C35 111.3(6) . . ?
F10 C39 F9 105.4(7) . . ?
F10 C39 C35 114.3(6) . . ?
F11 C39 F9 106.0(7) . . ?
F11 C39 F10 106.4(6) . . ?
F11 C39 C35 112.8(6) . . ?
F12 C40 C37 109.7(7) . . ?
F13 C40 C37 109.7(9) . . ?
F13 C40 F12 102.3(8) . . ?
F14 C40 C37 116.5(7) . . ?
F14 C40 F12 101.6(8) . . ?
F14 C40 F13 115.6(11) . . ?
F12A C40 C37 116.8(9) . . ?
F12A C40 F13A 106.9(11) . . ?
F12A C40 F14A 106.2(10) . . ?
F13A C40 C37 118.8(12) . . ?
F13A C40 F14A 97.3(12) . . ?
F14A C40 C37 108.4(7) . . ?
C42 C41 B1 121.9(5) . . ?
C46 C41 C42 116.0(6) . . ?
C46 C41 B1 121.6(5) . . ?
C41 C42 H42 119.1 . . ?
C43 C42 C41 121.9(6) . . ?
C43 C42 H42 119.1 . . ?
C42 C43 C47 118.5(7) . . ?
C44 C43 C42 120.4(6) . . ?
C44 C43 C47 121.1(7) . . ?
C43 C44 H44 120.9 . . ?
C45 C44 C43 118.3(6) . . ?
C45 C44 H44 120.9 . . ?
C44 C45 C46 121.3(6) . . ?
C44 C45 C48 117.6(7) . . ?
C46 C45 C48 121.1(8) . . ?
C41 C46 C45 122.1(6) . . ?
C41 C46 H46 118.9 . . ?
C45 C46 H46 118.9 . . ?
F15 C47 F16 103.8(8) . . ?
F15 C47 F17 110.0(7) . . ?
F15 C47 C43 113.4(6) . . ?
F16 C47 F17 104.4(7) . . ?
F16 C47 C43 111.7(6) . . ?
F17 C47 C43 112.8(8) . . ?
F18 C48 C45 117.1(10) . . ?
F18 C48 F20 99.9(11) . . ?
F19 C48 C45 116.2(10) . . ?
F19 C48 F18 100.5(11) . . ?
F19 C48 F20 106.7(11) . . ?
F20 C48 C45 114.3(9) . . ?
F18A C48 C45 111.0(9) . . ?
F18A C48 F19A 103.2(10) . . ?
F18A C48 F20A 114.6(12) . . ?
F19A C48 C45 111.2(9) . . ?
F20A C48 C45 110.5(8) . . ?
F20A C48 F19A 106.2(10) . . ?
C50 C49 C54 115.3(5) . . ?
C50 C49 B1 123.2(5) . . ?
C54 C49 B1 121.0(5) . . ?
C49 C50 H50 118.9 . . ?
C49 C50 C51 122.2(6) . . ?
C51 C50 H50 118.9 . . ?
C50 C51 C55 118.7(6) . . ?
C52 C51 C50 120.3(6) . . ?
C52 C51 C55 121.0(6) . . ?
C51 C52 H52 120.6 . . ?
C53 C52 C51 118.9(6) . . ?
C53 C52 H52 120.6 . . ?
C52 C53 C54 121.0(6) . . ?
C52 C53 C56 119.3(7) . . ?
C54 C53 C56 119.7(7) . . ?
C49 C54 C53 122.0(6) . . ?
C49 C54 H54 119.0 . . ?
C53 C54 H54 119.0 . . ?
F21 C55 F23 107.4(7) . . ?
F21 C55 C51 113.6(6) . . ?
F22 C55 F21 103.1(8) . . ?
F22 C55 F23 105.2(7) . . ?
F22 C55 C51 113.4(7) . . ?
F23 C55 C51 113.2(7) . . ?
F24 C56 C53 110.5(10) . . ?
F25 C56 C53 112.3(9) . . ?
F25 C56 F24 97.4(9) . . ?
F26 C56 C53 119.4(8) . . ?
F26 C56 F24 102.5(10) . . ?
F26 C56 F25 111.9(11) . . ?
F24A C56 C53 112.0(10) . . ?
F24A C56 F26A 98.9(12) . . ?
F25A C56 C53 120.8(11) . . ?
F25A C56 F24A 104.5(13) . . ?
F25A C56 F26A 109.8(14) . . ?
F26A C56 C53 108.7(10) . . ?
C25 B1 C33 102.4(5) . . ?
C25 B1 C41 113.7(5) . . ?
C41 B1 C33 112.4(5) . . ?
C49 B1 C25 111.3(5) . . ?
C49 B1 C33 113.6(5) . . ?
C49 B1 C41 103.8(5) . . ?
C32 F6A F7A 50.7(9) . . ?
C32 F7A F6A 53.5(10) . . ?
P1 Rh1 P2 86.93(9) . . ?
P1 Rh1 C2 148.4(6) . . ?
P1 Rh1 C5 96.2(4) . . ?
P1 Rh1 C6 114.2(5) . . ?
P2 Rh1 C2 110.2(5) . . ?
P2 Rh1 C5 169.7(5) . . ?
P2 Rh1 C6 136.6(4) . . ?
C1 Rh1 P1 167.1(6) . . ?
C1 Rh1 P2 105.2(5) . . ?
C1 Rh1 C2 30.9(7) . . ?
C1 Rh1 C3 34.6(8) . . ?
C1 Rh1 C4 61.8(7) . . ?
C1 Rh1 C5 72.7(7) . . ?
C1 Rh1 C6 59.9(7) . . ?
C2 Rh1 C5 62.7(7) . . ?
C2 Rh1 C6 35.9(6) . . ?
C3 Rh1 P1 134.6(5) . . ?
C3 Rh1 P2 119.7(5) . . ?
C3 Rh1 C2 60.0(7) . . ?
C3 Rh1 C5 64.4(7) . . ?
C3 Rh1 C6 72.7(7) . . ?
C4 Rh1 P1 105.2(5) . . ?
C4 Rh1 P2 154.6(4) . . ?
C4 Rh1 C2 70.7(7) . . ?
C4 Rh1 C3 37.3(6) . . ?
C4 Rh1 C5 33.1(5) . . ?
C4 Rh1 C6 58.6(6) . . ?
C5 Rh1 C6 33.5(5) . . ?
C7 P1 Rh1 108.6(3) . . ?
C7 P1 C9 102.7(5) . . ?
C7 P1 C13 103.9(5) . . ?
C9 P1 Rh1 114.9(4) . . ?
C9 P1 C13 109.5(5) . . ?
C13 P1 Rh1 115.9(4) . . ?
C8 P2 Rh1 107.8(3) . . ?
C8 P2 C17 103.2(5) . . ?
C8 P2 C21 104.1(4) . . ?
C17 P2 Rh1 114.3(4) . . ?
C21 P2 Rh1 116.4(3) . . ?
C21 P2 C17 109.6(5) . . ?
F2 C1 Rh1 132.3(14) . . ?
F2 C1 C3 109(2) . . ?
C2 C1 Rh1 79.3(12) . . ?
C2 C1 F2 121(2) . . ?
C2 C1 C3 129(2) . . ?
C3 C1 Rh1 75.1(12) . . ?
F1 C2 Rh1 132.0(13) . . ?
F1 C2 C6 109.0(19) . . ?
C1 C2 Rh1 69.8(11) . . ?
C1 C2 F1 131(2) . . ?
C1 C2 C6 119.7(18) . . ?
C6 C2 Rh1 75.5(9) . . ?
Rh1 C3 H3 125.8 . . ?
C1 C3 Rh1 70.3(12) . . ?
C1 C3 H3 124.3 . . ?
C1 C3 C4 111(2) . . ?
C4 C3 Rh1 71.3(10) . . ?
C4 C3 H3 124.3 . . ?
Rh1 C4 H4 127.7 . . ?
C3 C4 Rh1 71.4(10) . . ?
C3 C4 H4 117.8 . . ?
C5 C4 Rh1 75.4(9) . . ?
C5 C4 C3 124(2) . . ?
C5 C4 H4 117.8 . . ?
Rh1 C5 H5 122.0 . . ?
C4 C5 Rh1 71.4(9) . . ?
C4 C5 H5 121.1 . . ?
C4 C5 C6 117.9(19) . . ?
C6 C5 Rh1 76.9(9) . . ?
C6 C5 H5 121.0 . . ?
Rh1 C6 H6 133.1 . . ?
C2 C6 Rh1 68.6(9) . . ?
C2 C6 H6 121.4 . . ?
C5 C6 Rh1 69.6(8) . . ?
C5 C6 C2 117.1(18) . . ?
C5 C6 H6 121.4 . . ?
P1 C7 H7A 109.1 . . ?
P1 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
C8 C7 P1 112.4(6) . . ?
C8 C7 H7A 109.1 . . ?
C8 C7 H7B 109.1 . . ?
P2 C8 H8A 109.0 . . ?
P2 C8 H8B 109.0 . . ?
C7 C8 P2 112.7(6) . . ?
C7 C8 H8A 109.0 . . ?
C7 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 P1 113.7(8) . . ?
C11 C9 P1 107.9(6) . . ?
C11 C9 C10 107.1(9) . . ?
C11 C9 C12 108.4(9) . . ?
C12 C9 P1 111.6(8) . . ?
C12 C9 C10 107.9(9) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 105.5(7) . . ?
C15 C13 P1 114.2(8) . . ?
C15 C13 C14 106.3(10) . . ?
C16 C13 P1 112.0(9) . . ?
C16 C13 C14 107.9(10) . . ?
C16 C13 C15 110.5(10) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16C C16 H16A 109.5 . . ?
H16C C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C18 C17 P2 106.5(7) . . ?
C18 C17 C19 108.1(9) . . ?
C19 C17 P2 112.4(7) . . ?
C20 C17 P2 109.2(7) . . ?
C20 C17 C18 110.0(9) . . ?
C20 C17 C19 110.5(10) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 P2 113.1(7) . . ?
C22 C21 C24 111.2(9) . . ?
C23 C21 P2 107.5(6) . . ?
C23 C21 C22 108.1(8) . . ?
C23 C21 C24 107.9(8) . . ?
C24 C21 P2 109.0(7) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
P1A Rh1A P2A 86.6(3) . . ?
P1A Rh1A C1A 150.4(14) . . ?
P1A Rh1A C2A 168.3(11) . . ?
P1A Rh1A C3A 133.6(11) . . ?
P2A Rh1A C2A 101.3(11) . . ?
P2A Rh1A C3A 119.1(11) . . ?
C1A Rh1A P2A 109.1(12) . . ?
C1A Rh1A C2A 33.9(17) . . ?
C1A Rh1A C3A 60.7(17) . . ?
C3A Rh1A C2A 34.8(15) . . ?
C4A Rh1A P1A 104.5(10) . . ?
C4A Rh1A P2A 150.9(11) . . ?
C4A Rh1A C1A 74.0(16) . . ?
C4A Rh1A C2A 64.5(15) . . ?
C4A Rh1A C3A 35.9(14) . . ?
C5A Rh1A P1A 98.6(11) . . ?
C5A Rh1A P2A 171.4(11) . . ?
C5A Rh1A C1A 63.3(16) . . ?
C5A Rh1A C2A 74.6(16) . . ?
C5A Rh1A C3A 61.7(16) . . ?
C5A Rh1A C4A 33.9(14) . . ?
C5A Rh1A C6A 35.2(15) . . ?
C6A Rh1A P1A 117.6(12) . . ?
C6A Rh1A P2A 136.3(11) . . ?
C6A Rh1A C1A 35.0(16) . . ?
C6A Rh1A C2A 62.0(17) . . ?
C6A Rh1A C3A 71.5(17) . . ?
C6A Rh1A C4A 61.8(16) . . ?
C7A P1A Rh1A 107.2(10) . . ?
C7A P1A C13A 104.3(17) . . ?
C9A P1A Rh1A 115.2(9) . . ?
C9A P1A C7A 102.4(14) . . ?
C9A P1A C13A 110.4(16) . . ?
C13A P1A Rh1A 115.8(13) . . ?
C8A P2A Rh1A 108.2(10) . . ?
C8A P2A C21A 99.7(14) . . ?
C17A P2A Rh1A 116.0(9) . . ?
C17A P2A C8A 106.1(14) . . ?
C17A P2A C21A 112.1(12) . . ?
C21A P2A Rh1A 113.0(10) . . ?
F1A C1A Rh1A 137(3) . . ?
C2A C1A Rh1A 74(3) . . ?
C2A C1A F1A 120(4) . . ?
C2A C1A C6A 121(5) . . ?
C6A C1A Rh1A 71(3) . . ?
C6A C1A F1A 118(5) . . ?
F2A C2A Rh1A 137(3) . . ?
F2A C2A C1A 116(4) . . ?
F2A C2A C3A 125(5) . . ?
C1A C2A Rh1A 72(3) . . ?
C1A C2A C3A 117(4) . . ?
C3A C2A Rh1A 73(2) . . ?
Rh1A C3A H3A 130.5 . . ?
C2A C3A Rh1A 73(2) . . ?
C2A C3A H3A 118.8 . . ?
C2A C3A C4A 122(5) . . ?
C4A C3A Rh1A 71(2) . . ?
C4A C3A H3A 118.8 . . ?
Rh1A C4A H4A 125.3 . . ?
C3A C4A Rh1A 73(2) . . ?
C3A C4A H4A 121.3 . . ?
C5A C4A Rh1A 72(2) . . ?
C5A C4A C3A 117(4) . . ?
C5A C4A H4A 121.3 . . ?
Rh1A C5A H5A 124.9 . . ?
C4A C5A Rh1A 74(2) . . ?
C4A C5A H5A 119.6 . . ?
C4A C5A C6A 121(4) . . ?
C6A C5A Rh1A 73(2) . . ?
C6A C5A H5A 119.6 . . ?
Rh1A C6A H6A 127.1 . . ?
C1A C6A Rh1A 74(3) . . ?
C1A C6A H6A 119.3 . . ?
C5A C6A Rh1A 72(2) . . ?
C5A C6A C1A 121(5) . . ?
C5A C6A H6A 119.3 . . ?
P1A C7A H7AA 109.0 . . ?
P1A C7A H7AB 109.0 . . ?
H7AA C7A H7AB 107.8 . . ?
C8A C7A P1A 113(2) . . ?
C8A C7A H7AA 109.0 . . ?
C8A C7A H7AB 109.0 . . ?
P2A C8A H8AA 110.1 . . ?
P2A C8A H8AB 110.1 . . ?
C7A C8A P2A 108(2) . . ?
C7A C8A H8AA 110.1 . . ?
C7A C8A H8AB 110.1 . . ?
H8AA C8A H8AB 108.4 . . ?
C10A C9A P1A 116(2) . . ?
C11A C9A P1A 114(2) . . ?
C11A C9A C10A 104(3) . . ?
C12A C9A P1A 112(2) . . ?
C12A C9A C10A 109(3) . . ?
C12A C9A C11A 101(3) . . ?
C9A C10A H10D 109.5 . . ?
C9A C10A H10E 109.5 . . ?
C9A C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C9A C11A H11D 109.5 . . ?
C9A C11A H11E 109.5 . . ?
C9A C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C9A C12A H12D 109.5 . . ?
C9A C12A H12E 109.5 . . ?
C9A C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C14A C13A P1A 112(4) . . ?
C15A C13A P1A 100(4) . . ?
C15A C13A C14A 107(3) . . ?
C16A C13A P1A 122(5) . . ?
C16A C13A C14A 108(3) . . ?
C16A C13A C15A 108(3) . . ?
C13A C14A H14D 109.5 . . ?
C13A C14A H14E 109.5 . . ?
C13A C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C13A C15A H15D 109.5 . . ?
C13A C15A H15E 109.5 . . ?
C13A C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C13A C16A H16D 109.5 . . ?
C13A C16A H16E 109.5 . . ?
C13A C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C18A C17A P2A 108(2) . . ?
C18A C17A C20A 109(3) . . ?
C19A C17A P2A 110(2) . . ?
C19A C17A C18A 108(3) . . ?
C19A C17A C20A 105(3) . . ?
C20A C17A P2A 117(3) . . ?
C17A C18A H18D 109.5 . . ?
C17A C18A H18E 109.5 . . ?
C17A C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C17A C19A H19D 109.5 . . ?
C17A C19A H19E 109.5 . . ?
C17A C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C17A C20A H20D 109.5 . . ?
C17A C20A H20E 109.5 . . ?
C17A C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C22A C21A P2A 108(2) . . ?
C23A C21A P2A 108(2) . . ?
C23A C21A C22A 111(3) . . ?
C23A C21A C24A 109(3) . . ?
C24A C21A P2A 110(2) . . ?
C24A C21A C22A 111(3) . . ?
C21A C22A H22F 109.5 . . ?
C21A C22A H22D 109.5 . . ?
C21A C22A H22E 109.5 . . ?
H22F C22A H22D 109.5 . . ?
H22F C22A H22E 109.5 . . ?
H22D C22A H22E 109.5 . . ?
C21A C23A H23D 109.5 . . ?
C21A C23A H23E 109.5 . . ?
C21A C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C21A C24A H24D 109.5 . . ?
C21A C24A H24E 109.5 . . ?
C21A C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C25 C26 C27 C28 -0.6(12) . . . . ?
C25 C26 C27 C31 178.3(7) . . . . ?
C26 C25 C30 C29 -0.9(11) . . . . ?
C26 C25 B1 C33 -80.4(6) . . . . ?
C26 C25 B1 C41 158.0(5) . . . . ?
C26 C25 B1 C49 41.3(8) . . . . ?
C26 C27 C28 C29 -1.7(13) . . . . ?
C26 C27 C31 F3 58.8(10) . . . . ?
C26 C27 C31 F4 -60.0(10) . . . . ?
C26 C27 C31 F5 178.2(7) . . . . ?
C27 C28 C29 C30 2.7(15) . . . . ?
C27 C28 C29 C32 176.4(10) . . . . ?
C28 C27 C31 F3 -122.2(9) . . . . ?
C28 C27 C31 F4 118.9(9) . . . . ?
C28 C27 C31 F5 -2.8(12) . . . . ?
C28 C29 C30 C25 -1.4(14) . . . . ?
C28 C29 C32 F6 22.4(19) . . . . ?
C28 C29 C32 F7 -102.3(12) . . . . ?
C28 C29 C32 F8 141.2(13) . . . . ?
C28 C29 C32 F6A 57.2(17) . . . . ?
C28 C29 C32 F7A -23(2) . . . . ?
C28 C29 C32 F8A 178.7(18) . . . . ?
C29 C32 F6A F7A -115.3(14) . . . . ?
C29 C32 F7A F6A 97.4(16) . . . . ?
C30 C25 C26 C27 1.9(10) . . . . ?
C30 C25 B1 C33 92.3(7) . . . . ?
C30 C25 B1 C41 -29.2(8) . . . . ?
C30 C25 B1 C49 -146.0(6) . . . . ?
C30 C29 C32 F6 -163.8(13) . . . . ?
C30 C29 C32 F7 71.6(14) . . . . ?
C30 C29 C32 F8 -44.9(17) . . . . ?
C30 C29 C32 F6A -128.9(15) . . . . ?
C30 C29 C32 F7A 150.6(17) . . . . ?
C30 C29 C32 F8A -7(2) . . . . ?
C31 C27 C28 C29 179.4(9) . . . . ?
C32 C29 C30 C25 -175.2(9) . . . . ?
C33 C34 C35 C36 -2.1(9) . . . . ?
C33 C34 C35 C39 175.4(6) . . . . ?
C34 C33 C38 C37 -1.3(8) . . . . ?
C34 C33 B1 C25 -86.9(6) . . . . ?
C34 C33 B1 C41 35.5(7) . . . . ?
C34 C33 B1 C49 153.0(5) . . . . ?
C34 C35 C36 C37 1.3(9) . . . . ?
C34 C35 C39 F9 -89.2(8) . . . . ?
C34 C35 C39 F10 30.0(9) . . . . ?
C34 C35 C39 F11 151.8(7) . . . . ?
C35 C36 C37 C38 -0.6(9) . . . . ?
C35 C36 C37 C40 179.6(6) . . . . ?
C36 C35 C39 F9 88.3(8) . . . . ?
C36 C35 C39 F10 -152.4(6) . . . . ?
C36 C35 C39 F11 -30.7(10) . . . . ?
C36 C37 C38 C33 0.6(10) . . . . ?
C36 C37 C40 F12 60.0(9) . . . . ?
C36 C37 C40 F13 -51.6(11) . . . . ?
C36 C37 C40 F14 174.6(10) . . . . ?
C36 C37 C40 F12A 93.6(12) . . . . ?
C36 C37 C40 F13A -36.9(14) . . . . ?
C36 C37 C40 F14A -146.5(9) . . . . ?
C38 C33 C34 C35 2.0(8) . . . . ?
C38 C33 B1 C25 83.5(6) . . . . ?
C38 C33 B1 C41 -154.0(5) . . . . ?
C38 C33 B1 C49 -36.6(7) . . . . ?
C38 C37 C40 F12 -119.8(8) . . . . ?
C38 C37 C40 F13 128.6(9) . . . . ?
C38 C37 C40 F14 -5.2(12) . . . . ?
C38 C37 C40 F12A -86.3(12) . . . . ?
C38 C37 C40 F13A 143.2(12) . . . . ?
C38 C37 C40 F14A 33.6(10) . . . . ?
C39 C35 C36 C37 -176.1(6) . . . . ?
C40 C37 C38 C33 -179.6(6) . . . . ?
C41 C42 C43 C44 -1.7(9) . . . . ?
C41 C42 C43 C47 177.0(6) . . . . ?
C42 C41 C46 C45 -1.4(9) . . . . ?
C42 C41 B1 C25 149.0(5) . . . . ?
C42 C41 B1 C33 33.2(7) . . . . ?
C42 C41 B1 C49 -89.9(6) . . . . ?
C42 C43 C44 C45 0.2(10) . . . . ?
C42 C43 C47 F15 44.3(10) . . . . ?
C42 C43 C47 F16 -72.6(9) . . . . ?
C42 C43 C47 F17 170.2(6) . . . . ?
C43 C44 C45 C46 0.6(10) . . . . ?
C43 C44 C45 C48 -177.2(7) . . . . ?
C44 C43 C47 F15 -137.0(8) . . . . ?
C44 C43 C47 F16 106.1(8) . . . . ?
C44 C43 C47 F17 -11.1(10) . . . . ?
C44 C45 C46 C41 0.0(10) . . . . ?
C44 C45 C48 F18 63.5(14) . . . . ?
C44 C45 C48 F19 -55.3(14) . . . . ?
C44 C45 C48 F20 179.8(12) . . . . ?
C44 C45 C48 F18A 94.6(12) . . . . ?
C44 C45 C48 F19A -19.6(12) . . . . ?
C44 C45 C48 F20A -137.2(11) . . . . ?
C46 C41 C42 C43 2.3(8) . . . . ?
C46 C41 B1 C25 -39.4(7) . . . . ?
C46 C41 B1 C33 -155.2(5) . . . . ?
C46 C41 B1 C49 81.6(6) . . . . ?
C46 C45 C48 F18 -114.4(12) . . . . ?
C46 C45 C48 F19 126.8(13) . . . . ?
C46 C45 C48 F20 1.9(14) . . . . ?
C46 C45 C48 F18A -83.3(13) . . . . ?
C46 C45 C48 F19A 162.5(9) . . . . ?
C46 C45 C48 F20A 44.9(13) . . . . ?
C47 C43 C44 C45 -178.5(7) . . . . ?
C48 C45 C46 C41 177.8(7) . . . . ?
C49 C50 C51 C52 0.9(10) . . . . ?
C49 C50 C51 C55 179.8(6) . . . . ?
C50 C49 C54 C53 0.5(11) . . . . ?
C50 C49 B1 C25 -151.2(6) . . . . ?
C50 C49 B1 C33 -36.2(8) . . . . ?
C50 C49 B1 C41 86.2(7) . . . . ?
C50 C51 C52 C53 2.8(11) . . . . ?
C50 C51 C55 F21 -49.4(10) . . . . ?
C50 C51 C55 F22 67.9(9) . . . . ?
C50 C51 C55 F23 -172.3(7) . . . . ?
C51 C52 C53 C54 -4.8(13) . . . . ?
C51 C52 C53 C56 176.9(8) . . . . ?
C52 C51 C55 F21 129.5(8) . . . . ?
C52 C51 C55 F22 -113.1(9) . . . . ?
C52 C51 C55 F23 6.6(11) . . . . ?
C52 C53 C54 C49 3.2(14) . . . . ?
C52 C53 C56 F24 69.0(12) . . . . ?
C52 C53 C56 F25 -38.6(14) . . . . ?
C52 C53 C56 F26 -172.6(12) . . . . ?
C52 C53 C56 F24A 128.2(13) . . . . ?
C52 C53 C56 F25A 4.5(19) . . . . ?
C52 C53 C56 F26A -123.6(12) . . . . ?
C54 C49 C50 C51 -2.4(9) . . . . ?
C54 C49 B1 C25 37.1(8) . . . . ?
C54 C49 B1 C33 152.1(6) . . . . ?
C54 C49 B1 C41 -85.5(7) . . . . ?
C54 C53 C56 F24 -109.3(11) . . . . ?
C54 C53 C56 F25 143.0(11) . . . . ?
C54 C53 C56 F26 9.1(17) . . . . ?
C54 C53 C56 F24A -50.1(16) . . . . ?
C54 C53 C56 F25A -173.8(15) . . . . ?
C54 C53 C56 F26A 58.1(14) . . . . ?
C55 C51 C52 C53 -176.1(8) . . . . ?
C56 C53 C54 C49 -178.5(8) . . . . ?
B1 C25 C26 C27 175.2(6) . . . . ?
B1 C25 C30 C29 -173.9(7) . . . . ?
B1 C33 C34 C35 173.0(5) . . . . ?
B1 C33 C38 C37 -172.2(5) . . . . ?
B1 C41 C42 C43 174.3(5) . . . . ?
B1 C41 C46 C45 -173.4(6) . . . . ?
B1 C49 C50 C51 -174.6(6) . . . . ?
B1 C49 C54 C53 172.8(7) . . . . ?
F8A C32 F6A F7A 113.2(17) . . . . ?
F8A C32 F7A F6A -103(2) . . . . ?
Rh1 P1 C7 C8 -29.0(7) . . . . ?
Rh1 P1 C9 C10 -157.3(7) . . . . ?
Rh1 P1 C9 C11 -38.7(8) . . . . ?
Rh1 P1 C9 C12 80.4(8) . . . . ?
Rh1 P1 C13 C14 66.3(9) . . . . ?
Rh1 P1 C13 C15 -177.4(8) . . . . ?
Rh1 P1 C13 C16 -50.8(9) . . . . ?
Rh1 P2 C8 C7 -30.3(7) . . . . ?
Rh1 P2 C21 C22 -173.6(6) . . . . ?
Rh1 P2 C21 C23 67.2(7) . . . . ?
Rh1 P2 C21 C24 -49.5(7) . . . . ?
Rh1 C1 C2 F1 -129(2) . . . . ?
Rh1 C1 C2 C6 58.8(16) . . . . ?
Rh1 C1 C3 C4 -59.5(13) . . . . ?
Rh1 C2 C6 C5 51.6(12) . . . . ?
Rh1 C3 C4 C5 -56.4(14) . . . . ?
Rh1 C4 C5 C6 -63.3(11) . . . . ?
Rh1 C5 C6 C2 -51.2(12) . . . . ?
P1 C7 C8 P2 38.4(8) . . . . ?
F1 C2 C6 Rh1 129.9(15) . . . . ?
F1 C2 C6 C5 -178.4(13) . . . . ?
F2 C1 C2 Rh1 133(2) . . . . ?
F2 C1 C2 F1 5(4) . . . . ?
F2 C1 C2 C6 -167.9(16) . . . . ?
F2 C1 C3 Rh1 -130.2(16) . . . . ?
F2 C1 C3 C4 170.3(15) . . . . ?
C1 C2 C6 Rh1 -56.1(17) . . . . ?
C1 C2 C6 C5 -4(3) . . . . ?
C1 C3 C4 Rh1 59.0(15) . . . . ?
C1 C3 C4 C5 3(3) . . . . ?
C2 C1 C3 Rh1 63(2) . . . . ?
C2 C1 C3 C4 3(3) . . . . ?
C3 C1 C2 Rh1 -61(2) . . . . ?
C3 C1 C2 F1 170(2) . . . . ?
C3 C1 C2 C6 -2(3) . . . . ?
C3 C4 C5 Rh1 54.7(15) . . . . ?
C3 C4 C5 C6 -9(2) . . . . ?
C4 C5 C6 Rh1 60.4(11) . . . . ?
C4 C5 C6 C2 9(2) . . . . ?
C7 P1 C9 C10 -39.6(9) . . . . ?
C7 P1 C9 C11 79.0(8) . . . . ?
C7 P1 C9 C12 -162.0(8) . . . . ?
C7 P1 C13 C14 -52.6(9) . . . . ?
C7 P1 C13 C15 63.7(10) . . . . ?
C7 P1 C13 C16 -169.7(8) . . . . ?
C8 P2 C21 C22 67.9(8) . . . . ?
C8 P2 C21 C23 -51.3(8) . . . . ?
C8 P2 C21 C24 -167.9(7) . . . . ?
C9 P1 C7 C8 -151.0(7) . . . . ?
C9 P1 C13 C14 -161.7(8) . . . . ?
C9 P1 C13 C15 -45.4(10) . . . . ?
C9 P1 C13 C16 81.2(9) . . . . ?
C13 P1 C7 C8 94.9(7) . . . . ?
C13 P1 C9 C10 70.3(9) . . . . ?
C13 P1 C9 C11 -171.1(8) . . . . ?
C13 P1 C9 C12 -52.1(9) . . . . ?
C17 P2 C8 C7 -151.6(7) . . . . ?
C17 P2 C21 C22 -42.0(9) . . . . ?
C17 P2 C21 C23 -161.2(7) . . . . ?
C17 P2 C21 C24 82.2(8) . . . . ?
C21 P2 C8 C7 93.9(7) . . . . ?
Rh1A P1A C7A C8A -36(3) . . . . ?
Rh1A P1A C9A C10A 81(3) . . . . ?
Rh1A P1A C9A C11A -159(2) . . . . ?
Rh1A P1A C9A C12A -45(2) . . . . ?
Rh1A P2A C8A C7A -36(3) . . . . ?
Rh1A P2A C17A C18A 69(2) . . . . ?
Rh1A P2A C17A C19A -49(2) . . . . ?
Rh1A P2A C17A C20A -168(2) . . . . ?
Rh1A C1A C2A F2A 134(4) . . . . ?
Rh1A C1A C2A C3A -59(3) . . . . ?
Rh1A C1A C6A C5A 56(3) . . . . ?
Rh1A C2A C3A C4A -53(3) . . . . ?
Rh1A C3A C4A C5A -58(3) . . . . ?
Rh1A C4A C5A C6A -58(3) . . . . ?
Rh1A C5A C6A C1A -57(4) . . . . ?
P1A C7A C8A P2A 46(3) . . . . ?
F1A C1A C2A Rh1A -136(4) . . . . ?
F1A C1A C2A F2A -1(6) . . . . ?
F1A C1A C2A C3A 166(4) . . . . ?
F1A C1A C6A Rh1A 134(4) . . . . ?
F1A C1A C6A C5A -170(3) . . . . ?
F2A C2A C3A Rh1A -135(4) . . . . ?
F2A C2A C3A C4A 172(4) . . . . ?
C1A C2A C3A Rh1A 59(4) . . . . ?
C1A C2A C3A C4A 6(6) . . . . ?
C2A C1A C6A Rh1A -57(4) . . . . ?
C2A C1A C6A C5A -1(6) . . . . ?
C2A C3A C4A Rh1A 54(3) . . . . ?
C2A C3A C4A C5A -5(6) . . . . ?
C3A C4A C5A Rh1A 59(3) . . . . ?
C3A C4A C5A C6A 1(5) . . . . ?
C4A C5A C6A Rh1A 59(3) . . . . ?
C4A C5A C6A C1A 2(6) . . . . ?
C6A C1A C2A Rh1A 56(4) . . . . ?
C6A C1A C2A F2A -170(4) . . . . ?
C6A C1A C2A C3A -3(6) . . . . ?
C7A P1A C9A C10A -163(3) . . . . ?
C7A P1A C9A C11A -43(3) . . . . ?
C7A P1A C9A C12A 71(2) . . . . ?
C8A P2A C17A C18A -51(2) . . . . ?
C8A P2A C17A C19A -169(2) . . . . ?
C8A P2A C17A C20A 72(3) . . . . ?
C9A P1A C7A C8A -158(2) . . . . ?
C13A P1A C7A C8A 87(3) . . . . ?
C13A P1A C9A C10A -53(3) . . . . ?
C13A P1A C9A C11A 68(3) . . . . ?
C13A P1A C9A C12A -178(2) . . . . ?
C17A P2A C8A C7A 89(2) . . . . ?
C21A P2A C8A C7A -154(2) . . . . ?
C21A P2A C17A C18A -159(2) . . . . ?
C21A P2A C17A C19A 83(2) . . . . ?
C21A P2A C17A C20A -36(3) . . . . ?
_shelx_res_file
;
TITL 264amm19.res in Pccn
264amm19_op32.res
created by SHELXL-2018/3 at 11:58:22 on 17-Jul-2019
CELL 1.54184 35.55 17.7103 18.7565 90 90 90
ZERR 8 0.0005 0.0002 0.0003 0 0 0
LATT 1
SYMM 0.5-X,0.5-Y,+Z
SYMM -X,0.5+Y,0.5-Z
SYMM 0.5+X,-Y,0.5-Z
SFAC C H B F P Rh
UNIT 448 448 8 208 16 8
SADI 0.04 F8 F7 F8A F7A
SADI C32 F8 C32 F8A C32 F6A C32 F6 C32 F7A C32 F7
SADI 0.04 F25 F26 F25 F24 F26 F24 F25A F26A F25A F24A F26A F24A
SADI C56 F25 C56 F26 C56 F24 C56 F25A C56 F26A C56 F24A
SADI 0.04 F18 F20 F18 F19 F20 F19 F18A F19A F18A F20A F19A F20A
SADI C48 F18 C48 F20 C48 F19 C48 F18A C48 F19A C48 F20A
SADI 0.01 Rh1 P1 Rh1 P2
SADI F1 C2 F2 C1
SADI C13A C14A C13A C16A C13A C15A
SADI 0.01 C14A C15A C15A C16A C16A C14A
SADI C9A C12A C9A C11A C9A C10A
SADI C17A C20A C17A C19A C17A C18A
SADI C21A C22A C21A C23A C21A C24A
SADI 0.04 F13 F12 F13 F14 F12 F14 F13A F12A F13A F14A F12A F14A
SADI C40 F13 C40 F12 C40 F14 C40 F13A C40 F12A C40 F14A
SIMU 0.01 0.01 2 C32 F6 F7 F8 F6A > F8A
SIMU 0.01 0.01 2 C56 F24 F25 F26 F24A > F26A
SIMU 0.01 0.01 2 C48 F18 F19 F20 F18A > F20A
SIMU 0.01 0.01 2 Rh1 > C1 C3 > C24
SIMU 0.01 0.01 2 Rh1 > C24A
SIMU 0.01 0.01 2 C40 F12 F13 F14 F12A > F14A
RIGU C32 F6 F7 F8 F6A > F8A
RIGU C56 F24 F25 F26 F24A > F26A
RIGU C48 F18 F19 F20 F18A > F20A
RIGU Rh1 > C1 C3 > C24
RIGU Rh1 > C24A
RIGU C40 F12 F13 F14 F12A > F14A
ISOR 0.01 0.02 C32
ISOR 0.01 0.02 C56
L.S. 20 0 0
PLAN 20
SIZE 0.09 0.159 0.162
TEMP -123
BOND $H
conf
list 4
fmap 2 53
acta
OMIT 3 4 1
OMIT 3 6 3
OMIT 1 7 6
OMIT 1 6 1
OMIT 5 2 9
OMIT 11 1 2
OMIT 11 1 0
REM
REM
REM
WGHT 0.121700 72.998611
FVAR 0.12027 0.59952 0.60315 0.45428 0.77910 0.57525
F3 4 0.584027 0.699129 0.099497 11.00000 0.08100 0.06229 =
0.11700 0.02150 -0.01868 -0.00550
F4 4 0.538187 0.705026 0.173215 11.00000 0.10942 0.06882 =
0.11540 -0.00157 -0.00739 0.03771
F5 4 0.528021 0.667394 0.066783 11.00000 0.09002 0.07996 =
0.11385 0.03246 -0.04853 -0.00357
F9 4 0.756174 0.339272 0.168399 11.00000 0.09026 0.06068 =
0.11787 -0.03012 -0.02201 0.03567
F10 4 0.704608 0.307915 0.119768 11.00000 0.09290 0.05135 =
0.08564 -0.03141 0.01535 -0.00387
F11 4 0.744478 0.373603 0.062194 11.00000 0.17698 0.06890 =
0.08611 -0.01367 0.08075 0.01276
F15 4 0.715308 0.320992 0.442316 11.00000 0.12215 0.07181 =
0.16555 -0.02343 -0.10277 0.01652
F16 4 0.704967 0.235837 0.368318 11.00000 0.07594 0.07490 =
0.08880 -0.00720 -0.01447 0.01865
F17 4 0.682842 0.221496 0.471312 11.00000 0.14841 0.09276 =
0.07634 0.03015 -0.02778 0.02810
F21 4 0.709652 0.603124 0.493366 11.00000 0.09653 0.09423 =
0.12522 -0.03802 -0.06681 0.02761
F22 4 0.709636 0.699625 0.434641 11.00000 0.09072 0.16188 =
0.11060 0.00422 -0.02140 -0.07430
F23 4 0.680912 0.700717 0.531011 11.00000 0.08884 0.11190 =
0.09621 -0.06158 -0.03104 0.00423
C25 1 0.595211 0.500987 0.221381 11.00000 0.03504 0.03858 =
0.03736 -0.00527 -0.00264 0.00253
C26 1 0.586028 0.572442 0.196080 11.00000 0.03948 0.04044 =
0.05265 -0.00319 -0.00831 0.00277
AFIX 43
H26 2 0.597877 0.615070 0.217077 11.00000 -1.20000
AFIX 0
C27 1 0.560449 0.584210 0.141783 11.00000 0.04294 0.05421 =
0.06109 0.00694 -0.01244 0.00144
C28 1 0.543038 0.524586 0.109659 11.00000 0.06416 0.05947 =
0.06339 0.00354 -0.03084 -0.00194
AFIX 43
H28 2 0.524935 0.532674 0.073192 11.00000 -1.20000
AFIX 0
C29 1 0.552100 0.452919 0.130876 11.00000 0.08337 0.05805 =
0.07404 -0.00132 -0.04361 -0.00924
C30 1 0.577645 0.440506 0.186754 11.00000 0.06024 0.03973 =
0.05747 -0.00725 -0.01927 -0.00271
AFIX 43
H30 2 0.583088 0.390293 0.201280 11.00000 -1.20000
AFIX 0
C31 1 0.552201 0.663159 0.120804 11.00000 0.06438 0.06540 =
0.07223 0.01499 -0.01646 -0.00295
C32 1 0.531872 0.387535 0.099618 11.00000 0.13974 0.09386 =
0.12289 -0.02079 -0.06569 -0.01997
C33 1 0.666659 0.494932 0.233322 11.00000 0.03426 0.03542 =
0.03477 -0.00129 -0.00552 0.00026
C34 1 0.681902 0.430844 0.200954 11.00000 0.04874 0.03157 =
0.03280 -0.00394 -0.00366 -0.00212
AFIX 43
H34 2 0.671357 0.382745 0.211116 11.00000 -1.20000
AFIX 0
C35 1 0.712284 0.435826 0.154001 11.00000 0.04466 0.04068 =
0.03691 -0.00509 -0.00158 0.00212
C36 1 0.727600 0.504623 0.136076 11.00000 0.03995 0.04632 =
0.03902 -0.00195 0.00356 0.00391
AFIX 43
H36 2 0.747937 0.508155 0.103389 11.00000 -1.20000
AFIX 0
C37 1 0.712433 0.568204 0.167156 11.00000 0.03820 0.03936 =
0.04467 0.00483 0.00268 0.00127
C38 1 0.682826 0.564002 0.214042 11.00000 0.03866 0.03228 =
0.04484 -0.00416 -0.00218 0.00308
AFIX 43
H38 2 0.673054 0.609263 0.233936 11.00000 -1.20000
AFIX 0
C39 1 0.728928 0.364863 0.125851 11.00000 0.06330 0.05131 =
0.05436 -0.01462 0.01368 0.00350
C40 1 0.728891 0.643374 0.148671 11.00000 0.06617 0.04304 =
0.08954 0.01039 0.02361 -0.00501
C41 1 0.624854 0.412076 0.326649 11.00000 0.04062 0.03133 =
0.03358 -0.00539 -0.00117 -0.00419
C42 1 0.656645 0.375187 0.353688 11.00000 0.04712 0.03894 =
0.03277 -0.00396 -0.00361 -0.00182
AFIX 43
H42 2 0.680907 0.393834 0.341829 11.00000 -1.20000
AFIX 0
C43 1 0.653693 0.311710 0.397630 11.00000 0.07210 0.04358 =
0.03616 0.00014 -0.01097 0.00161
C44 1 0.618650 0.284327 0.417479 11.00000 0.09234 0.03671 =
0.03497 -0.00064 0.00339 -0.01184
AFIX 43
H44 2 0.616443 0.241315 0.447453 11.00000 -1.20000
AFIX 0
C45 1 0.587342 0.320924 0.392731 11.00000 0.06855 0.04827 =
0.04307 -0.01035 0.01034 -0.01810
C46 1 0.590290 0.383473 0.348266 11.00000 0.04730 0.04577 =
0.04129 -0.00071 0.00207 -0.00369
AFIX 43
H46 2 0.567945 0.407430 0.332143 11.00000 -1.20000
AFIX 0
C47 1 0.688895 0.273534 0.421144 11.00000 0.09619 0.05150 =
0.05586 0.00361 -0.02959 0.01581
C48 1 0.550483 0.293335 0.416928 11.00000 0.07978 0.10680 =
0.09808 0.01505 0.02124 -0.03922
C49 1 0.625447 0.556138 0.342120 11.00000 0.03583 0.03515 =
0.04088 -0.00619 -0.00226 -0.00304
C50 1 0.656556 0.582388 0.379858 11.00000 0.04081 0.03821 =
0.04038 -0.00335 -0.00396 0.00131
AFIX 43
H50 2 0.680850 0.564608 0.367075 11.00000 -1.20000
AFIX 0
C51 1 0.653238 0.634223 0.436139 11.00000 0.04999 0.03929 =
0.04041 -0.00363 -0.00557 -0.00754
C52 1 0.618598 0.660161 0.456522 11.00000 0.05746 0.04969 =
0.05146 -0.01981 0.00286 -0.00409
AFIX 43
H52 2 0.616326 0.696907 0.493168 11.00000 -1.20000
AFIX 0
C53 1 0.587541 0.632482 0.423477 11.00000 0.04602 0.07428 =
0.06507 -0.03201 0.00014 0.00533
C54 1 0.590684 0.582608 0.365984 11.00000 0.04021 0.06064 =
0.05587 -0.03085 -0.00341 -0.00257
AFIX 43
H54 2 0.568471 0.566243 0.342448 11.00000 -1.20000
AFIX 0
C55 1 0.687847 0.659023 0.473558 11.00000 0.06246 0.05861 =
0.06042 -0.01908 -0.01429 -0.00621
C56 1 0.550008 0.657216 0.447518 11.00000 0.07298 0.13147 =
0.11065 -0.05209 -0.00560 0.02769
B1 3 0.628072 0.490782 0.281339 11.00000 0.03056 0.03464 =
0.03732 -0.00459 -0.00448 -0.00148
PART 1
F6 4 0.515372 0.397025 0.037079 21.00000 0.13374 0.10156 =
0.11898 -0.02734 -0.08118 -0.01738
F7 4 0.504836 0.358586 0.145254 21.00000 0.14737 0.10491 =
0.14757 -0.02009 -0.05220 -0.04896
F8 4 0.554866 0.331311 0.088577 21.00000 0.15780 0.08291 =
0.13511 -0.03616 -0.07652 -0.00686
F12 4 0.725544 0.656032 0.074731 61.00000 0.06819 0.04938 =
0.08664 0.02672 0.01575 0.00421
F13 4 0.765557 0.641582 0.157618 61.00000 0.06433 0.05391 =
0.08414 0.01160 0.01201 -0.02494
F14 4 0.711845 0.702441 0.174602 61.00000 0.08807 0.04193 =
0.11744 0.00776 0.04160 -0.00006
F18 4 0.542895 0.298274 0.488363 41.00000 0.08987 0.11514 =
0.09675 0.02416 0.03108 -0.02453
F19 4 0.543334 0.220195 0.405382 41.00000 0.09484 0.11031 =
0.12250 0.01734 0.01116 -0.04971
F20 4 0.520489 0.332786 0.390258 41.00000 0.06969 0.12542 =
0.11163 0.02633 0.02473 -0.03634
F24 4 0.544166 0.733114 0.430477 31.00000 0.09036 0.14559 =
0.14003 -0.02117 -0.00644 0.05051
F25 4 0.547997 0.664396 0.519288 31.00000 0.07808 0.14155 =
0.09955 -0.05287 0.00500 0.03313
F26 4 0.520695 0.625332 0.421790 31.00000 0.05579 0.15736 =
0.11829 -0.05786 -0.00644 0.02559
PART 0
PART 2
F6A 4 0.538079 0.395934 0.028713 -21.00000 0.15719 0.10527 =
0.12740 -0.02711 -0.06219 -0.01821
F7A 4 0.498524 0.400074 0.073018 -21.00000 0.14197 0.10511 =
0.13633 -0.01953 -0.06774 -0.02187
F8A 4 0.539220 0.319314 0.115824 -21.00000 0.13675 0.06859 =
0.12673 -0.02716 -0.06065 -0.02762
F12A 4 0.713177 0.679901 0.097330 -61.00000 0.09403 0.05682 =
0.10690 0.02566 0.00605 -0.00242
F13A 4 0.766182 0.648725 0.138895 -61.00000 0.06446 0.05938 =
0.08506 0.01175 0.02354 -0.01862
F14A 4 0.726510 0.690496 0.209357 -61.00000 0.07481 0.03677 =
0.09078 0.01005 0.02410 -0.00908
F18A 4 0.538689 0.331666 0.472981 -41.00000 0.08919 0.12762 =
0.11596 0.00125 0.03714 -0.03215
F19A 4 0.552913 0.221119 0.442001 -41.00000 0.09562 0.11135 =
0.09829 0.02219 0.01018 -0.04923
F20A 4 0.526322 0.291348 0.362938 -41.00000 0.07390 0.11705 =
0.11932 0.02650 0.00356 -0.05200
F24A 4 0.528757 0.682375 0.393170 -31.00000 0.07332 0.14470 =
0.13337 -0.03951 -0.00775 0.04670
F25A 4 0.546492 0.708465 0.496419 -31.00000 0.08563 0.13991 =
0.12104 -0.05728 0.00438 0.03926
F26A 4 0.529240 0.594339 0.465723 -31.00000 0.06725 0.14659 =
0.12255 -0.04558 0.01591 0.02743
PART 0
PART 1
RH1 6 0.621902 0.929907 0.257310 51.00000 0.05419 0.04239 =
0.03956 -0.00393 0.00167 -0.01175
P1 5 0.609561 1.049524 0.218102 51.00000 0.04323 0.05142 =
0.04106 0.00635 -0.00490 -0.00100
P2 5 0.651033 0.984950 0.353673 51.00000 0.04591 0.04337 =
0.03156 0.00183 0.00199 -0.00325
F1 4 0.582195 0.786904 0.344671 51.00000 0.16458 0.11297 =
0.16824 0.02633 0.00836 -0.01138
F2 4 0.654742 0.770919 0.305314 51.00000 0.14751 0.10813 =
0.15515 0.00003 -0.00453 0.00280
C1 1 0.631818 0.807140 0.269766 51.00000 0.13610 0.07516 =
0.14180 -0.00062 -0.00443 -0.00025
C2 1 0.599223 0.811526 0.288017 51.00000 0.14055 0.07627 =
0.14457 0.00728 0.00244 -0.01764
C3 1 0.647195 0.824693 0.206960 51.00000 0.12345 0.07218 =
0.13526 -0.01671 -0.00549 -0.00045
AFIX 43
H3 2 0.672982 0.817559 0.195503 51.00000 -1.20000
AFIX 0
C4 1 0.619417 0.856148 0.158284 51.00000 0.12023 0.07679 =
0.11460 -0.03550 -0.01611 -0.01462
AFIX 43
H4 2 0.627422 0.868537 0.111398 51.00000 -1.20000
AFIX 0
C5 1 0.584118 0.868549 0.174714 51.00000 0.11776 0.07791 =
0.10713 -0.03738 -0.01845 -0.02407
AFIX 43
H5 2 0.567989 0.895394 0.143276 51.00000 -1.20000
AFIX 0
C6 1 0.571248 0.841644 0.238494 51.00000 0.12816 0.07238 =
0.12275 -0.02332 -0.01450 -0.03313
AFIX 43
H6 2 0.545245 0.842480 0.250140 51.00000 -1.20000
AFIX 0
C7 1 0.634923 1.117181 0.275912 51.00000 0.05645 0.04941 =
0.04934 -0.00085 -0.00363 0.00028
AFIX 23
H7A 2 0.659839 1.128130 0.254722 51.00000 -1.20000
H7B 2 0.620632 1.165110 0.277929 51.00000 -1.20000
AFIX 0
C8 1 0.640369 1.087250 0.351484 51.00000 0.05100 0.04257 =
0.04236 -0.00773 -0.00017 -0.00201
AFIX 23
H8A 2 0.617221 1.096835 0.379396 51.00000 -1.20000
H8B 2 0.661211 1.115193 0.374492 51.00000 -1.20000
AFIX 0
C9 1 0.628688 1.072310 0.126398 51.00000 0.06479 0.06735 =
0.04463 0.01094 -0.00255 -0.00288
C10 1 0.634267 1.158834 0.112757 51.00000 0.07898 0.07373 =
0.06042 0.02018 -0.00145 -0.00655
AFIX 137
H10A 2 0.609764 1.184177 0.113464 51.00000 -1.50000
H10B 2 0.646161 1.166356 0.066160 51.00000 -1.50000
H10C 2 0.650366 1.180109 0.150110 51.00000 -1.50000
AFIX 0
C11 1 0.666986 1.035465 0.119679 51.00000 0.06939 0.08236 =
0.03926 0.00758 0.00790 0.00177
AFIX 137
H11A 2 0.684020 1.056643 0.155564 51.00000 -1.50000
H11B 2 0.677157 1.045001 0.071959 51.00000 -1.50000
H11C 2 0.664553 0.980920 0.127168 51.00000 -1.50000
AFIX 0
C12 1 0.602927 1.040962 0.066637 51.00000 0.08037 0.07678 =
0.04983 0.00603 -0.01084 -0.00252
AFIX 137
H12A 2 0.599450 0.986536 0.073387 51.00000 -1.50000
H12B 2 0.614605 1.050239 0.020127 51.00000 -1.50000
H12C 2 0.578441 1.066293 0.068620 51.00000 -1.50000
AFIX 0
C13 1 0.558726 1.080953 0.224131 51.00000 0.05486 0.08709 =
0.06673 0.01310 -0.00424 0.01166
C14 1 0.549639 1.085131 0.306661 51.00000 0.05515 0.09764 =
0.07059 0.00906 0.00898 0.01734
AFIX 137
H14A 2 0.555641 1.036600 0.329036 51.00000 -1.50000
H14B 2 0.522873 1.096299 0.313381 51.00000 -1.50000
H14C 2 0.564777 1.125080 0.328657 51.00000 -1.50000
AFIX 0
C15 1 0.551372 1.159680 0.194344 51.00000 0.06667 0.09212 =
0.07905 0.01398 -0.00293 0.02496
AFIX 137
H15A 2 0.570549 1.194646 0.212201 51.00000 -1.50000
H15B 2 0.526431 1.176908 0.209530 51.00000 -1.50000
H15C 2 0.552410 1.158092 0.142154 51.00000 -1.50000
AFIX 0
C16 1 0.532401 1.024612 0.191165 51.00000 0.06276 0.10253 =
0.07909 0.01045 -0.00571 0.00180
AFIX 137
H16C 2 0.535808 0.975378 0.214124 51.00000 -1.50000
H16A 2 0.537826 1.020153 0.140112 51.00000 -1.50000
H16B 2 0.506384 1.041527 0.197740 51.00000 -1.50000
AFIX 0
C17 1 0.631492 0.953526 0.444462 51.00000 0.06342 0.07537 =
0.04282 0.01157 0.00648 -0.00702
C18 1 0.588343 0.947153 0.435495 51.00000 0.06211 0.09295 =
0.05017 0.01451 0.01360 -0.01184
AFIX 137
H18A 2 0.577654 0.997557 0.428122 51.00000 -1.50000
H18B 2 0.577414 0.924618 0.478484 51.00000 -1.50000
H18C 2 0.582633 0.915249 0.394201 51.00000 -1.50000
AFIX 0
C19 1 0.639586 1.011881 0.504335 51.00000 0.07184 0.09695 =
0.03911 0.00385 0.00787 -0.00864
AFIX 137
H19A 2 0.666829 1.017403 0.510392 51.00000 -1.50000
H19B 2 0.628399 0.994317 0.549116 51.00000 -1.50000
H19C 2 0.628638 1.060746 0.491277 51.00000 -1.50000
AFIX 0
C20 1 0.648113 0.876177 0.463862 51.00000 0.08483 0.07849 =
0.05626 0.02798 0.00339 -0.00325
AFIX 137
H20A 2 0.645287 0.841663 0.423375 51.00000 -1.50000
H20B 2 0.634799 0.855628 0.505294 51.00000 -1.50000
H20C 2 0.674861 0.881877 0.475298 51.00000 -1.50000
AFIX 0
C21 1 0.704408 0.980636 0.355215 51.00000 0.04982 0.06665 =
0.04629 0.00865 -0.00085 0.00325
C22 1 0.721432 1.010773 0.425120 51.00000 0.05907 0.08468 =
0.05313 0.00474 -0.00721 -0.00597
AFIX 137
H22A 2 0.711038 1.060851 0.435415 51.00000 -1.50000
H22B 2 0.748816 1.014426 0.420208 51.00000 -1.50000
H22C 2 0.715278 0.976226 0.464232 51.00000 -1.50000
AFIX 0
C23 1 0.718752 1.029645 0.294197 51.00000 0.04441 0.07343 =
0.05088 0.00779 0.00704 -0.00251
AFIX 137
H23A 2 0.708262 1.011378 0.249063 51.00000 -1.50000
H23B 2 0.746270 1.026992 0.292341 51.00000 -1.50000
H23C 2 0.710947 1.082076 0.301956 51.00000 -1.50000
AFIX 0
C24 1 0.717195 0.897582 0.340608 51.00000 0.07287 0.07370 =
0.07694 0.00645 0.00017 0.01375
AFIX 137
H24A 2 0.707793 0.864642 0.378621 51.00000 -1.50000
H24B 2 0.744730 0.895299 0.339372 51.00000 -1.50000
H24C 2 0.707075 0.880756 0.294678 51.00000 -1.50000
AFIX 0
PART 0
PART 2
RH1A 6 0.584715 0.989798 0.283466 -51.00000 0.04665 0.03965 =
0.02931 0.00148 0.01102 0.00465
P1A 5 0.644362 0.952809 0.310710 -51.00000 0.05463 0.04627 =
0.02844 0.00510 -0.00198 0.00859
P2A 5 0.610257 1.048743 0.186054 -51.00000 0.04264 0.04403 =
0.03227 0.00762 0.00218 0.00233
F1A 4 0.501548 0.938248 0.200724 -51.00000 0.06884 0.11028 =
0.08437 0.00514 -0.00446 -0.00250
F2A 4 0.505190 1.078655 0.242645 -51.00000 0.06054 0.10174 =
0.07654 0.01136 0.00109 0.01074
C1A 1 0.523080 0.961204 0.260137 -51.00000 0.06214 0.10035 =
0.07569 0.00697 0.00312 0.00127
C2A 1 0.523735 1.033834 0.280076 -51.00000 0.05808 0.09725 =
0.07097 0.01049 0.00419 0.00777
C3A 1 0.537915 1.049870 0.346798 -51.00000 0.05714 0.09444 =
0.06313 0.01046 0.01407 0.00717
AFIX 43
H3A 2 0.536425 1.100220 0.364037 -51.00000 -1.20000
AFIX 0
C4A 1 0.554548 0.994238 0.390379 -51.00000 0.05760 0.09341 =
0.05503 0.01413 0.01935 -0.00099
AFIX 43
H4A 2 0.565890 1.006943 0.434643 -51.00000 -1.20000
AFIX 0
C5A 1 0.553758 0.923864 0.367331 -51.00000 0.05946 0.09313 =
0.05754 0.01400 0.01991 -0.00387
AFIX 43
H5A 2 0.564473 0.884913 0.395620 -51.00000 -1.20000
AFIX 0
C6A 1 0.537760 0.906442 0.303461 -51.00000 0.06077 0.09578 =
0.06661 0.00966 0.01479 -0.00313
AFIX 43
H6A 2 0.536766 0.855184 0.288652 -51.00000 -1.20000
AFIX 0
C7A 1 0.676837 1.004661 0.249301 -51.00000 0.04984 0.06609 =
0.03344 0.00956 0.00341 0.00633
AFIX 23
H7AA 2 0.682573 1.054788 0.269977 -51.00000 -1.20000
H7AB 2 0.700762 0.976342 0.245479 -51.00000 -1.20000
AFIX 0
C8A 1 0.660602 1.015235 0.175808 -51.00000 0.05468 0.06446 =
0.03459 0.00994 0.00402 0.00329
AFIX 23
H8AA 2 0.661264 0.966943 0.149255 -51.00000 -1.20000
H8AB 2 0.675472 1.053039 0.149024 -51.00000 -1.20000
AFIX 0
C9A 1 0.660651 0.981024 0.395959 -51.00000 0.05921 0.06323 =
0.04394 0.00700 0.00363 0.00144
C10A 1 0.647071 0.930428 0.460588 -51.00000 0.07172 0.07787 =
0.04692 0.01350 0.00373 -0.00265
AFIX 33
H10D 2 0.653098 0.877420 0.450881 -51.00000 -1.50000
H10E 2 0.659878 0.946579 0.504269 -51.00000 -1.50000
H10F 2 0.619828 0.935961 0.466626 -51.00000 -1.50000
AFIX 0
C11A 1 0.704913 0.981773 0.403444 -51.00000 0.06090 0.07299 =
0.05860 0.00563 -0.00057 0.00257
AFIX 33
H11D 2 0.714787 0.931041 0.394222 -51.00000 -1.50000
H11E 2 0.715615 1.017322 0.368921 -51.00000 -1.50000
H11F 2 0.711796 0.997423 0.451832 -51.00000 -1.50000
AFIX 0
C12A 1 0.650712 1.066171 0.412534 -51.00000 0.05815 0.05840 =
0.04464 -0.00207 0.00048 -0.00282
AFIX 33
H12D 2 0.623421 1.073310 0.409545 -51.00000 -1.50000
H12E 2 0.659364 1.079063 0.460625 -51.00000 -1.50000
H12F 2 0.663184 1.098962 0.377713 -51.00000 -1.50000
AFIX 0
C13A 1 0.656107 0.843289 0.293576 -51.00000 0.13090 0.08148 =
0.13720 -0.00437 -0.00459 0.00119
C14A 1 0.690631 0.822605 0.323491 -51.00000 0.12198 0.08679 =
0.12255 0.00032 0.00018 0.00555
AFIX 33
H14D 2 0.692745 0.844189 0.371434 -51.00000 -1.50000
H14E 2 0.692196 0.767445 0.326402 -51.00000 -1.50000
H14F 2 0.711146 0.841685 0.293602 -51.00000 -1.50000
AFIX 0
C15A 1 0.627834 0.810283 0.334708 -51.00000 0.14063 0.08879 =
0.14907 0.00574 0.00070 -0.00300
AFIX 33
H15D 2 0.628429 0.831585 0.382917 -51.00000 -1.50000
H15E 2 0.603300 0.820461 0.312910 -51.00000 -1.50000
H15F 2 0.631918 0.755621 0.337187 -51.00000 -1.50000
AFIX 0
C16A 1 0.654278 0.811530 0.225695 -51.00000 0.13136 0.08298 =
0.13802 -0.01148 -0.00738 -0.00309
AFIX 33
H16D 2 0.673875 0.833697 0.195491 -51.00000 -1.50000
H16E 2 0.658146 0.756858 0.229064 -51.00000 -1.50000
H16F 2 0.629528 0.821698 0.204787 -51.00000 -1.50000
AFIX 0
C17A 1 0.612463 1.155566 0.190155 -51.00000 0.06012 0.05955 =
0.04875 0.00938 -0.00145 0.00127
C18A 1 0.640456 1.177022 0.244848 -51.00000 0.06280 0.05126 =
0.04860 -0.00079 -0.00062 0.00169
AFIX 33
H18D 2 0.665170 1.156977 0.231527 -51.00000 -1.50000
H18E 2 0.641808 1.232178 0.248177 -51.00000 -1.50000
H18F 2 0.632938 1.156130 0.291084 -51.00000 -1.50000
AFIX 0
C19A 1 0.575717 1.186820 0.212253 -51.00000 0.06238 0.07524 =
0.06122 0.01163 -0.00068 0.00963
AFIX 33
H19D 2 0.556567 1.173423 0.176862 -51.00000 -1.50000
H19E 2 0.568675 1.165856 0.258728 -51.00000 -1.50000
H19F 2 0.577545 1.241904 0.215821 -51.00000 -1.50000
AFIX 0
C20A 1 0.621534 1.195281 0.122798 -51.00000 0.06944 0.06452 =
0.05320 0.01241 0.00192 0.00002
AFIX 33
H20D 2 0.645797 1.177343 0.104683 -51.00000 -1.50000
H20E 2 0.601873 1.185033 0.087476 -51.00000 -1.50000
H20F 2 0.622932 1.249739 0.131678 -51.00000 -1.50000
AFIX 0
C21A 1 0.588989 1.012151 0.094269 -51.00000 0.07108 0.06593 =
0.04798 0.00147 -0.00824 -0.00413
C22A 1 0.583354 0.928455 0.100461 -51.00000 0.08949 0.06563 =
0.06902 -0.01572 -0.01325 -0.01401
AFIX 33
H22F 2 0.607695 0.903828 0.108252 -51.00000 -1.50000
H22D 2 0.566647 0.917662 0.140752 -51.00000 -1.50000
H22E 2 0.572037 0.909202 0.056422 -51.00000 -1.50000
AFIX 0
C23A 1 0.552286 1.051308 0.082340 -51.00000 0.07615 0.07290 =
0.05086 0.00292 -0.00963 -0.00166
AFIX 33
H23D 2 0.535071 1.039451 0.121583 -51.00000 -1.50000
H23E 2 0.556414 1.105980 0.080384 -51.00000 -1.50000
H23F 2 0.541305 1.034169 0.037231 -51.00000 -1.50000
AFIX 0
C24A 1 0.615214 1.030453 0.034132 -51.00000 0.07299 0.06832 =
0.04649 0.00539 -0.00803 -0.00050
AFIX 33
H24D 2 0.639316 1.004852 0.041800 -51.00000 -1.50000
H24E 2 0.604182 1.013331 -0.010938 -51.00000 -1.50000
H24F 2 0.619291 1.085142 0.032215 -51.00000 -1.50000
AFIX 0
HKLF 4
REM 264amm19.res in Pccn
REM wR2 = 0.2856, GooF = S = 1.032, Restrained GooF = 1.038 for all data
REM R1 = 0.1069 for 10373 Fo > 4sig(Fo) and 0.1167 for all 12210 data
REM 1161 parameters refined using 1749 restraints
END
WGHT 0.1265 69.4045
REM Highest difference peak 1.449, deepest hole -1.249, 1-sigma level 0.113
Q1 1 0.5799 0.3474 0.0474 11.00000 0.05 1.45
Q2 1 0.5213 0.3690 0.4257 11.00000 0.05 0.80
Q3 1 0.5399 0.5960 0.5098 11.00000 0.05 0.75
Q4 1 0.6965 0.6999 0.1324 11.00000 0.05 0.70
Q5 1 0.5601 0.9870 0.2793 11.00000 0.05 0.66
Q6 1 0.5621 0.3791 0.0732 11.00000 0.05 0.63
Q7 1 0.5446 0.7059 0.4071 11.00000 0.05 0.61
Q8 1 0.5334 0.7072 0.3451 11.00000 0.05 0.59
Q9 1 0.5536 0.6556 0.0249 11.00000 0.05 0.59
Q10 1 0.5589 0.7612 0.4422 11.00000 0.05 0.57
Q11 1 0.5613 0.6572 0.0827 11.00000 0.05 0.54
Q12 1 0.5194 0.6573 0.4016 11.00000 0.05 0.51
Q13 1 0.6195 0.9398 0.2952 11.00000 0.05 0.50
Q14 1 0.5223 0.6867 0.3534 11.00000 0.05 0.50
Q15 1 0.5310 0.6553 0.4597 11.00000 0.05 0.49
Q16 1 0.5208 0.3180 0.3763 11.00000 0.05 0.46
Q17 1 0.6466 0.9150 0.2625 11.00000 0.05 0.45
Q18 1 0.6203 1.0002 0.2829 11.00000 0.05 0.43
Q19 1 0.6007 0.9973 0.2239 11.00000 0.05 0.43
Q20 1 0.5356 0.2640 0.3382 11.00000 0.05 0.43
;
_shelx_res_checksum 80541
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-1 -20 9 3.63 0.61
0 -20 9 1.32 0.52
0 -20 9 1.39 0.44
0 -20 9 0.35 0.56
1 -20 9 3.77 0.65
1 -20 9 3.68 0.61
1 -20 9 4.06 0.72
2 -20 9 4.06 0.71
2 -20 9 2.93 0.55
3 -20 9 7.06 0.81
3 -20 9 5.41 0.67
3 -20 9 7.75 0.91
4 -20 9 2.56 0.57
4 -20 9 3.22 0.66
5 -20 9 0.40 0.31
5 -20 9 1.56 0.53
6 -20 9 -0.50 0.39
6 -20 9 1.03 0.53
7 -20 9 6.38 0.75
-3 -20 10 1.87 0.47
-2 -20 10 0.08 0.27
2 -20 10 0.77 0.52
3 -20 10 2.59 0.70
-6 -21 0 1.14 0.52
-5 -21 0 1.80 0.58
-4 -21 0 0.50 0.57
-3 -21 0 2.23 0.61
-2 -21 0 3.92 1.10
-1 -21 0 21.12 1.49
0 -21 0 0.08 0.47
1 -21 0 23.36 1.61
2 -21 0 1.61 0.84
3 -21 0 2.24 0.61
4 -21 0 0.04 0.38
5 -21 0 0.91 0.51
6 -21 0 0.09 0.38
7 -21 0 0.83 0.49
8 -21 0 -0.10 0.40
9 -21 0 0.92 0.41
10 -21 0 -0.78 0.36
11 -21 0 3.93 0.63
12 -21 0 -0.71 0.33
-7 -21 1 0.20 0.40
-6 -21 1 15.90 1.32
-5 -21 -1 0.56 0.40
-5 -21 1 -0.98 0.64
-4 -21 -1 1.25 0.53
-4 -21 1 1.65 0.58
-3 -21 -1 1.28 0.54
-3 -21 1 0.62 0.48
-2 -21 -1 7.64 0.92
-2 -21 1 7.91 1.01
-1 -21 -1 0.78 0.55
-1 -21 1 0.19 0.42
0 -21 -1 0.89 0.53
0 -21 1 0.85 0.56
1 -21 -1 0.88 0.63
1 -21 1 1.42 0.80
2 -21 1 9.08 1.07
2 -21 -1 7.97 0.92
3 -21 -1 0.16 0.45
3 -21 1 0.39 0.47
4 -21 -1 1.57 0.53
4 -21 1 1.83 0.52
5 -21 -1 0.72 0.98
5 -21 1 0.66 0.71
6 -21 -1 20.30 1.38
6 -21 1 19.31 1.46
7 -21 -1 1.25 0.57
7 -21 1 0.21 0.44
8 -21 -1 -0.37 0.38
8 -21 1 -0.22 0.50
9 -21 -1 1.61 0.61
9 -21 1 1.88 0.70
10 -21 1 20.84 1.40
11 -21 1 -0.17 0.41
12 -21 1 3.48 0.61
13 -21 1 1.94 0.50
-7 -21 2 1.44 0.51
-6 -21 2 1.16 0.60
-5 -21 2 0.94 0.68
-4 -21 2 8.35 1.03
-3 -21 2 4.98 0.95
-2 -21 2 1.11 0.62
-1 -21 2 1.34 0.73
0 -21 2 6.53 0.96
1 -21 2 2.22 0.77
2 -21 2 1.07 0.72
3 -21 2 5.20 1.02
4 -21 2 9.04 1.11
5 -21 2 1.29 0.66
6 -21 2 1.58 0.67
7 -21 2 1.34 0.52
8 -21 2 1.47 0.53
9 -21 2 0.37 0.44
10 -21 2 0.91 0.49
11 -21 2 0.42 0.38
12 -21 2 0.50 0.40
13 -21 2 0.63 0.40
-8 -21 3 0.13 0.38
-7 -21 3 2.61 0.67
-6 -21 3 12.86 1.22
-5 -21 3 1.89 0.66
-4 -21 3 3.02 0.65
-3 -21 3 2.57 0.84
-2 -21 3 12.00 1.24
-1 -21 3 2.25 0.87
0 -21 3 2.96 0.77
1 -21 3 3.03 1.02
2 -21 3 13.99 1.33
3 -21 3 2.01 0.77
4 -21 3 3.10 0.78
5 -21 3 2.97 0.98
6 -21 3 13.98 1.28
7 -21 3 0.85 0.66
8 -21 3 0.66 0.49
9 -21 3 1.63 0.55
10 -21 3 30.49 1.69
11 -21 3 0.91 0.55
12 -21 3 0.14 0.32
13 -21 3 9.22 0.89
-7 -21 4 1.28 0.52
-6 -21 4 2.60 0.62
-5 -21 4 3.85 0.75
-4 -21 4 6.77 0.96
-3 -21 4 2.32 0.69
-2 -21 4 0.51 0.50
-1 -21 4 1.54 0.59
0 -21 4 12.49 1.23
1 -21 4 0.98 0.53
2 -21 4 0.21 0.41
3 -21 4 0.50 0.45
4 -21 4 5.49 0.85
5 -21 4 2.69 0.70
6 -21 4 2.02 0.59
7 -21 4 0.70 0.40
8 -21 4 0.63 0.50
9 -21 4 10.33 1.02
10 -21 4 2.72 0.63
11 -21 4 0.56 0.40
12 -21 4 3.75 0.62
-7 -21 5 2.08 0.55
-6 -21 5 12.22 1.09
-5 -21 5 2.37 0.77
-4 -21 5 1.01 0.56
-3 -21 5 6.96 0.91
-2 -21 5 15.79 1.33
-1 -21 5 3.41 0.73
0 -21 5 1.69 0.68
1 -21 5 3.74 0.96
2 -21 5 17.25 1.39
3 -21 5 10.24 1.11
4 -21 5 1.09 0.56
5 -21 5 1.93 0.79
6 -21 5 15.43 1.26
7 -21 5 1.83 0.52
8 -21 5 0.72 0.55
9 -21 5 12.39 1.07
10 -21 5 7.35 0.82
11 -21 5 0.56 0.34
-6 -21 6 4.76 0.68
-5 -21 6 11.48 1.02
-4 -21 6 1.07 0.67
-3 -21 6 1.32 0.45
-2 -21 6 2.55 0.55
-1 -21 6 2.02 0.61
0 -21 6 1.66 0.56
1 -21 6 0.53 0.41
2 -21 6 2.48 0.57
3 -21 6 0.78 0.46
4 -21 6 0.86 0.50
5 -21 6 11.34 1.03
6 -21 6 5.72 0.78
7 -21 6 0.89 0.41
8 -21 6 1.19 0.61
9 -21 6 8.43 0.83
-4 -21 7 1.80 0.43
-3 -21 7 5.08 0.88
-2 -21 7 34.41 1.62
-1 -21 7 7.11 0.93
0 -21 7 0.43 0.45
1 -21 7 6.41 1.10
2 -21 7 35.77 1.66
3 -21 7 3.67 0.72
4 -21 7 0.46 0.39
5 -21 7 0.20 0.43
-1 -22 1 2.93 0.51
0 -22 1 0.69 0.43
1 -22 1 2.95 0.54
-3 -22 2 -0.14 0.30
-2 -22 2 2.42 0.50
-1 -22 2 3.03 0.61
0 -22 2 13.41 1.01
1 -22 2 2.59 0.65
2 -22 2 2.94 0.57
3 -22 2 -0.73 0.35
-3 -22 3 1.77 0.42
-2 -22 3 2.26 0.51
-1 -22 3 0.25 0.32
0 -22 3 -0.12 0.30
1 -22 3 0.36 0.31
2 -22 3 0.33 0.35
0 0 0 0.00 0.00
TITL 264amm19_oP32 in Pmn2(1)
REM Pmn2(1) (#31 in standard setting)
CELL 1.54184 17.710281 18.756485 35.550008 90.0000 90.0000 90.0000
ZERR 8.00 0.000221 0.000250 0.000527 0.0000 0.0000 0.0000
LATT -1
SYMM -x+1/2,-y, z+1/2
SYMM x+1/2,-y, z+1/2
SYMM -x, y, z
SFAC C H B F P Rh
UNIT 432.00 528.00 8.00 192.00 16.00 8.00
TREF
HKLF 4
END
_computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)'
;
_shelx_hkl_checksum 44581
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.370
_oxdiff_exptl_absorpt_empirical_full_min 0.798
#===END
#-----------------------------------------------
#---------------COMPOUND 10 and 11--------------
#-----------------------------------------------
data_10_and_11
_audit_creation_date 2019-01-16
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number '2018/1'
_audit_contact_author_address ?
_audit_contact_author_email ?
_audit_contact_author_name ''
_audit_contact_author_phone ?
_publ_contact_author_id_orcid ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
(2009), J. Appl. Cryst. 42, 339-341.
Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common ?
_chemical_name_systematic ?
_chemical_formula_moiety 'C22 H48 P2 Rh, C32 H12 B F24'
_chemical_formula_sum 'C54 H60 B F24 P2 Rh'
_chemical_formula_weight 1340.68
_chemical_melting_point ?
_chemical_oxdiff_formula 'C54 H66 Rh1 P2 B1 F24'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'B' 'B' 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'P' 'P' 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Rh' 'Rh' 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system 'monoclinic'
_space_group_IT_number 14
_space_group_name_H-M_alt 'P 1 21/c 1'
_space_group_name_Hall '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
_cell_length_a 13.8945(2)
_cell_length_b 17.8193(2)
_cell_length_c 23.5243(4)
_cell_angle_alpha 90
_cell_angle_beta 96.4570(10)
_cell_angle_gamma 90
_cell_volume 5787.44(14)
_cell_formula_units_Z 4
_cell_measurement_reflns_used 16137
_cell_measurement_temperature 150.01(10)
_cell_measurement_theta_max 76.4280
_cell_measurement_theta_min 3.1120
_shelx_estimated_absorpt_T_max 0.798
_shelx_estimated_absorpt_T_min 0.538
_exptl_absorpt_coefficient_mu 3.936
_exptl_absorpt_correction_T_max 1.00000
_exptl_absorpt_correction_T_min 0.69245
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details ?
_exptl_crystal_colour orange
_exptl_crystal_colour_primary orange
_exptl_crystal_density_diffrn 1.539
_exptl_crystal_density_meas ?
_exptl_crystal_density_method ?
_exptl_crystal_description plate
_exptl_crystal_F_000 2720
_exptl_crystal_size_max 0.18
_exptl_crystal_size_mid 0.16
_exptl_crystal_size_min 0.06
_exptl_transmission_factor_max ?
_exptl_transmission_factor_min ?
_diffrn_reflns_av_R_equivalents 0.0531
_diffrn_reflns_av_unetI/netI 0.0406
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max 17
_diffrn_reflns_limit_h_min -17
_diffrn_reflns_limit_k_max 22
_diffrn_reflns_limit_k_min -22
_diffrn_reflns_limit_l_max 29
_diffrn_reflns_limit_l_min -28
_diffrn_reflns_number 55357
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full 67.684
_diffrn_reflns_theta_max 76.684
_diffrn_reflns_theta_min 3.118
_diffrn_ambient_environment N~2~
_diffrn_ambient_temperature 150.01(10)
_diffrn_detector 'CCD plate'
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):
# Type Start End Width t~exp~ \w \q \k \f Frames
--------------------------------------------------------------------------
1 \w -72.00 -36.00 1.00 4.00 -- 0.00-178.00 0.00 36
2 \w 10.00 42.00 1.00 4.00 -- 0.00 -99.00 -30.00 32
3 \w 17.00 44.00 1.00 4.00 -- 0.00 -99.00 0.00 27
4 \w 3.00 43.00 1.00 4.00 -- 0.00 -99.00 -90.00 40
5 \w -47.00 17.00 1.00 12.00 -- -60.50 30.00 150.00 64
6 \w -47.00 30.00 1.00 12.00 -- -60.50 30.00 -30.00 77
7 \w -11.00 30.00 1.00 12.00 -- -60.50 30.00-180.00 41
8 \w 106.00 131.00 1.00 12.00 -- 60.50 125.00 -90.00 25
9 \w 119.00 152.00 1.00 12.00 -- 60.50 125.00 60.00 33
10 \w 97.00 152.00 1.00 12.00 -- 60.50 125.00 0.00 55
11 \w 44.00 103.00 1.00 12.00 -- 60.50 -94.00 90.00 59
12 \w 115.00 144.00 1.00 12.00 -- 60.50 125.00-180.00 29
13 \w -4.00 22.00 1.00 12.00 -- 60.50 -94.00 90.00 26
14 \w 85.00 164.00 1.00 22.00 -- 121.00 -77.00 150.00 79
15 \w 118.00 177.00 1.00 22.00 -- 121.00 111.00-120.00 59
16 \w 24.00 50.00 1.00 22.00 -- 121.00 -77.00 150.00 26
17 \w 132.00 178.00 1.00 22.00 -- 121.00 37.00 30.00 46
18 \w 140.00 165.00 1.00 22.00 -- 121.00 111.00 -90.00 25
19 \w 103.00 165.00 1.00 22.00 -- 121.00 -77.00-180.00 62
20 \w 141.00 175.00 1.00 22.00 -- 121.00 37.00 -60.00 34
21 \w 21.00 86.00 1.00 22.00 -- 121.00 -77.00-180.00 65
22 \w 100.00 126.00 1.00 22.00 -- 121.00 37.00 30.00 26
23 \w 74.00 135.00 1.00 22.00 -- 121.00 37.00 -60.00 61
24 \w 130.00 177.00 1.00 22.00 -- 121.00 50.00-120.00 47
25 \w 79.00 107.00 1.00 22.00 -- 121.00 50.00-120.00 28
26 \w 132.00 170.00 1.00 22.00 -- 121.00 111.00 0.00 38
27 \w 101.00 136.00 1.00 22.00 -- 121.00 111.00 -90.00 35
28 \w 114.00 163.00 1.00 22.00 -- 121.00 -63.00 -60.00 49
29 \w -78.00 -35.00 1.00 4.00 -- 0.00-178.00 -60.00 43
30 \w -97.00 -70.00 1.00 4.00 -- 0.00 178.00-120.00 27
31 \w 21.00 48.00 1.00 4.00 -- 0.00 -99.00 -60.00 27
32 \w 1.00 51.00 1.00 4.00 -- 0.00 -99.00 90.00 50
33 \w -121.00 -83.00 1.00 12.00 -- -60.50 -94.00-150.00 38
34 \w -155.00 -39.00 1.00 12.00 -- -60.50 -15.00 30.00 116
35 \w 127.00 152.00 1.00 12.00 -- 60.50 125.00-180.00 25
36 \w 28.00 59.00 1.00 12.00 -- 60.50-125.00-120.00 31
37 \w 86.00 117.00 1.00 12.00 -- 60.50-125.00-120.00 31
38 \w 106.00 151.00 1.00 12.00 -- 60.50 125.00 120.00 45
39 \w 40.00 105.00 1.00 22.00 -- 121.00-111.00 90.00 65
40 \w 39.00 65.00 1.00 22.00 -- 121.00-111.00 -30.00 26
41 \w 83.00 112.00 1.00 22.00 -- 121.00-111.00 -30.00 29
42 \w 151.00 177.00 1.00 22.00 -- 121.00 55.00 69.00 26
43 \w 52.00 89.00 1.00 22.00 -- 121.00-111.00 120.00 37
44 \w 93.00 178.00 1.00 22.00 -- 121.00 50.00 60.00 85
45 \w 128.00 172.00 1.00 22.00 -- 121.00 50.00 0.00 44
46 \w 143.00 169.00 1.00 22.00 -- 121.00 92.00 -64.00 26
47 \w 76.00 102.00 1.00 22.00 -- 121.00-111.00 -60.00 26
48 \w 148.00 174.00 1.00 22.00 -- 121.00 63.00 30.00 26
49 \w 93.00 122.00 1.00 22.00 -- 121.00 63.00 30.00 29
50 \w 67.00 110.00 1.00 22.00 -- 121.00-111.00-180.00 43
51 \w 85.00 111.00 1.00 22.00 -- 121.00 178.00 90.00 26
52 \w 113.00 143.00 1.00 22.00 -- 121.00 178.00 90.00 30
53 \w 30.00 63.00 1.00 22.00 -- 121.00 -50.00-180.00 33
54 \w 67.00 93.00 1.00 22.00 -- 121.00 -50.00-180.00 26
55 \w 146.00 172.00 1.00 22.00 -- 121.00 77.00-120.00 26
56 \w 116.00 142.00 1.00 22.00 -- 121.00 55.00 69.00 26
57 \w 118.00 175.00 1.00 22.00 -- 121.00 50.00 -30.00 57
58 \w 80.00 112.00 1.00 22.00 -- 121.00 50.00 -30.00 32
59 \w 77.00 103.00 1.00 22.00 -- 121.00 77.00-120.00 26
60 \w 32.00 57.00 1.00 22.00 -- 121.00-111.00 -60.00 25
61 \w 84.00 111.00 1.00 22.00 -- 121.00-111.00-150.00 27
62 \w 86.00 112.00 1.00 22.00 -- 121.00-111.00 -90.00 26
;
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11 0.0562576000
_diffrn_orient_matrix_UB_12 0.0409119000
_diffrn_orient_matrix_UB_13 -0.0435822000
_diffrn_orient_matrix_UB_21 -0.0676598000
_diffrn_orient_matrix_UB_22 0.0682994000
_diffrn_orient_matrix_UB_23 0.0016319000
_diffrn_orient_matrix_UB_31 0.0685909000
_diffrn_orient_matrix_UB_32 0.0337690000
_diffrn_orient_matrix_UB_33 0.0493963000
_diffrn_radiation_monochromator mirror
_diffrn_radiation_probe x-ray
_diffrn_radiation_type CuK\a
_diffrn_radiation_wavelength 1.54184
_diffrn_source 'micro-focus sealed X-ray tube'
_diffrn_source_type 'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage 0.000
_reflns_Friedel_fraction_full .
_reflns_Friedel_fraction_max .
_reflns_number_gt 9711
_reflns_number_total 12140
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta 74.33
_reflns_special_details
;
Reflections were merged by SHELXL according to the crystal
class for the calculation of statistics and refinement.
_reflns_Friedel_fraction is defined as the number of unique
Friedel pairs measured divided by the number that would be
possible theoretically, ignoring centric projections and
systematic absences.
;
_reflns_threshold_expression 'I > 2\s(I)'
_computing_cell_refinement 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material 'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement 'ShelXL (Sheldrick, 2015)'
_computing_structure_solution 'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max 0.738
_refine_diff_density_min -1.021
_refine_diff_density_rms 0.062
_refine_ls_extinction_coef .
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.025
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 988
_refine_ls_number_reflns 12140
_refine_ls_number_restraints 961
_refine_ls_R_factor_all 0.0550
_refine_ls_R_factor_gt 0.0410
_refine_ls_restrained_S_all 1.098
_refine_ls_shift/su_max 0.002
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0565P)^2^+2.4953P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1040
_refine_ls_wR_factor_ref 0.1133
_refine_special_details ?
_olex2_refinement_description
;
1. Fixed Uiso
At 1.2 times of:
All C(H) groups, All C(H,H) groups
At 1.5 times of:
All C(H,H,H) groups
2. Restrained distances
F14A-F15A \\sim F14A-F13A \\sim F14-F15 \\sim F14-F13 \\sim F15A-F13A \\sim
F15-F13
with sigma of 0.04
C45-F14A \\sim C45-F14 \\sim C45-F15A \\sim C45-F15 \\sim C45-F13 \\sim
C45-F13A
with sigma of 0.02
F17-F18 \\sim F17-F16 \\sim F17A-F18A \\sim F17A-F16A \\sim F18-F16 \\sim
F18A-F16A
with sigma of 0.04
C46-F17 \\sim C46-F17A \\sim C46-F18 \\sim C46-F18A \\sim C46-F16 \\sim
C46-F16A
with sigma of 0.02
F5-F4 \\sim F5-F6 \\sim F5A-F4A \\sim F5A-F6A \\sim F4-F6 \\sim F4A-F6A
with sigma of 0.04
C30-F5 \\sim C30-F5A \\sim C30-F4 \\sim C30-F4A \\sim C30-F6 \\sim C30-F6A
with sigma of 0.02
F3A-F2A \\sim F3A-F1A \\sim F3-F2 \\sim F3-F1 \\sim F2-F1 \\sim F2A-F1A
with sigma of 0.04
C29-F3A \\sim C29-F3 \\sim C29-F2 \\sim C29-F2A \\sim C29-F1A \\sim C29-F1
with sigma of 0.02
F24A-F23A \\sim F24A-F22A \\sim F24-F23 \\sim F24-F22 \\sim F23A-F22A \\sim
F23-F22
with sigma of 0.04
C54-F24A \\sim C54-F24 \\sim C54-F23A \\sim C54-F23 \\sim C54-F22 \\sim
C54-F22A
with sigma of 0.02
F8A-F9A \\sim F8A-F7A \\sim F8-F9 \\sim F8-F7 \\sim F9-F7 \\sim F9A-F7A
with sigma of 0.04
C37-F8A \\sim C37-F8 \\sim C37-F9 \\sim C37-F9A \\sim C37-F7A \\sim C37-F7
with sigma of 0.02
F11-F12 \\sim F11-F10 \\sim F11A-F12A \\sim F11A-F10A \\sim F12-F10 \\sim
F12A-F10A
with sigma of 0.04
C38-F11 \\sim C38-F11A \\sim C38-F12 \\sim C38-F12A \\sim C38-F10 \\sim
C38-F10A
with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F13 \\sim F15 \\sim F14 \\sim C45 \\sim F13A \\sim F15A \\sim F14A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F18 \\sim F16 \\sim F17 \\sim C46 \\sim F18A \\sim F16A \\sim F17A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F6 \\sim F5 \\sim C30 \\sim F4 \\sim F6A \\sim F5A \\sim F4A: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
F2 \\sim F1 \\sim F3 \\sim C29 \\sim F2A \\sim F1A \\sim F3A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
F22 \\sim F24 \\sim F23 \\sim C54 \\sim F22A \\sim F24A \\sim F23A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F7 \\sim F9 \\sim F8 \\sim C37 \\sim F7A \\sim F9A \\sim F8A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
F12 \\sim F11 \\sim F10 \\sim C38 \\sim F12A \\sim F11A \\sim F10A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
F13, F15, F14, C45, F13A, F15A, F14A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F18, F16, F17, C46, F18A, F16A, F17A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F6, F5, C30, F4, F6A, F5A, F4A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F2, F1, F3, C29, F2A, F1A, F3A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F22, F24, F23, C54, F22A, F24A, F23A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F7, F9, F8, C37, F7A, F9A, F8A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F12, F11, F10, C38, F12A, F11A, F10A
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
1*[Sof(C4)+Sof(H4A)+Sof(H4B)+Sof(H4C)+Sof(C1)+Sof(H1A)+Sof(H1B)+Sof(H1C)+
Sof(C3)+Sof(H3)+Sof(C2)+Sof(H2)]+1*[Sof(C2A)+Sof(H2A)+Sof(C3A)+Sof(H3AA)+
Sof(H3AB)+Sof(C1A)+Sof(H1AA)+Sof(H1AB)+Sof(C4A)+Sof(H4AA)+Sof(H4AB)+Sof(H4AC)]=
1 with esd of 0.0001
Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(H4C)=Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C3)=
Sof(H3)=Sof(C2)=Sof(H2)=FVAR(1)
Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3AA)=Sof(H3AB)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=
Sof(C4A)=Sof(H4AA)=Sof(H4AB)=Sof(H4AC)=FVAR(2)
Sof(F13A)=Sof(F15A)=Sof(F14A)=1-FVAR(3)
Sof(F13)=Sof(F15)=Sof(F14)=FVAR(3)
Sof(F18A)=Sof(F16A)=Sof(F17A)=1-FVAR(4)
Sof(F18)=Sof(F16)=Sof(F17)=FVAR(4)
Sof(F6A)=Sof(F5A)=Sof(F4A)=1-FVAR(5)
Sof(F6)=Sof(F5)=Sof(F4)=FVAR(5)
Sof(F2A)=Sof(F1A)=Sof(F3A)=1-FVAR(6)
Sof(F2)=Sof(F1)=Sof(F3)=FVAR(6)
Sof(F22A)=Sof(F24A)=Sof(F23A)=1-FVAR(7)
Sof(F22)=Sof(F24)=Sof(F23)=FVAR(7)
Sof(F7A)=Sof(F9A)=Sof(F8A)=1-FVAR(8)
Sof(F7)=Sof(F9)=Sof(F8)=FVAR(8)
Sof(F12A)=Sof(F11A)=Sof(F10A)=1-FVAR(9)
Sof(F12)=Sof(F11)=Sof(F10)=FVAR(9)
6.a Ternary CH refined with riding coordinates:
C3(H3), C2(H2)
6.b Secondary CH2 refined with riding coordinates:
C5(H5A,H5B), C6(H6A,H6B), C3A(H3AA,H3AB)
6.c Aromatic/amide H refined with riding coordinates:
C40(H40), C28(H28), C44(H44), C24(H24), C48(H48), C42(H42), C32(H32),
C36(H36), C26(H26), C52(H52), C34(H34), C50(H50), C2A(H2A)
6.d X=CH2 refined with riding coordinates:
C1A(H1AA,H1AB)
6.e Idealised Me refined as rotating group:
C20(H20A,H20B,H20C), C10(H10A,H10B,H10C), C22(H22A,H22B,H22C), C16(H16A,H16B,
H16C), C14(H14A,H14B,H14C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C9(H9A,
H9B,H9C), C13(H13A,H13B,H13C), C21(H21A,H21B,H21C), C12(H12A,H12B,H12C),
C8(H8A,H8B,H8C), C4(H4A,H4B,H4C), C1(H1A,H1B,H1C), C4A(H4AA,H4AB,H4AC)
;
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary dual
_atom_sites_solution_secondary ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 1.27742(2) 0.41308(2) 0.81558(2) 0.03607(7) Uani 1 1 d . . . . .
P2 P 1.19633(5) 0.30298(4) 0.80543(3) 0.03261(14) Uani 1 1 d . . . . .
P1 P 1.18119(5) 0.44322(4) 0.88376(3) 0.03589(15) Uani 1 1 d . . . . .
F19 F 0.50008(15) 0.16983(12) 0.68079(8) 0.0567(5) Uani 1 1 d . . . . .
F18 F 0.7359(3) 0.5835(2) 0.44985(16) 0.0495(7) Uani 0.858(11) 1 d D U P A 1
F16 F 0.59588(18) 0.6360(2) 0.43925(17) 0.0556(10) Uani 0.858(11) 1 d D U P A 1
F20 F 0.44443(19) 0.10362(13) 0.60869(10) 0.0714(7) Uani 1 1 d . . . . .
F13 F 0.3919(5) 0.4975(3) 0.6397(4) 0.0583(13) Uani 0.717(17) 1 d D U P B 1
F15 F 0.3645(3) 0.5893(4) 0.5811(2) 0.0541(11) Uani 0.717(17) 1 d D U P B 1
F21 F 0.38290(14) 0.21059(16) 0.62258(12) 0.0785(8) Uani 1 1 d . . . . .
F17 F 0.7076(4) 0.6771(2) 0.50219(16) 0.0687(11) Uani 0.858(11) 1 d D U P A 1
F14 F 0.4536(4) 0.6055(4) 0.6605(3) 0.0655(14) Uani 0.717(17) 1 d D U P B 1
F22 F 0.5635(3) 0.13545(18) 0.42816(13) 0.0716(9) Uani 0.861(5) 1 d D U P C 1
F24 F 0.6093(3) 0.24318(17) 0.40490(12) 0.0770(10) Uani 0.861(5) 1 d D U P C 1
F7 F 0.6541(6) 0.5345(5) 0.7897(3) 0.0692(15) Uani 0.576(11) 1 d D U P D 1
F9 F 0.8048(8) 0.5447(7) 0.8146(4) 0.085(2) Uani 0.576(11) 1 d D U P D 1
F23 F 0.7118(2) 0.1648(2) 0.44416(13) 0.0799(11) Uani 0.861(5) 1 d D U P C 1
F12 F 0.8320(3) 0.17077(17) 0.75651(14) 0.0804(10) Uani 0.840(4) 1 d D U P E 1
F2 F 0.9877(5) 0.5844(3) 0.5861(4) 0.0624(15) Uani 0.481(11) 1 d D U P F 1
C31 C 0.73852(17) 0.37251(15) 0.67966(11) 0.0307(5) Uani 1 1 d . . . . .
F1 F 1.1187(5) 0.5307(6) 0.5768(5) 0.0760(19) Uani 0.481(11) 1 d D U P F 1
C47 C 0.65921(17) 0.30734(14) 0.58225(11) 0.0294(5) Uani 1 1 d . . . . .
C23 C 0.83382(18) 0.38159(15) 0.59068(11) 0.0300(5) Uani 1 1 d . . . . .
C40 C 0.57745(18) 0.47460(15) 0.60948(12) 0.0325(5) Uani 1 1 d . . . . .
H40 H 0.556339 0.444942 0.639263 0.039 Uiso 1 1 calc R . . . .
C28 C 0.87938(18) 0.32298(15) 0.56476(11) 0.0329(5) Uani 1 1 d . . . . .
H28 H 0.845701 0.276958 0.557563 0.040 Uiso 1 1 calc R . . . .
C39 C 0.66300(17) 0.45464(14) 0.58706(11) 0.0296(5) Uani 1 1 d . . . . .
C44 C 0.68872(18) 0.50047(14) 0.54294(11) 0.0311(5) Uani 1 1 d . . . . .
H44 H 0.745542 0.488741 0.525750 0.037 Uiso 1 1 calc R . . . .
F11 F 0.7221(2) 0.18955(16) 0.80953(18) 0.0819(10) Uani 0.840(4) 1 d D U P E 1
C24 C 0.89035(18) 0.44625(15) 0.60302(12) 0.0334(5) Uani 1 1 d . . . . .
H24 H 0.863676 0.486787 0.622283 0.040 Uiso 1 1 calc R . . . .
C48 C 0.59301(18) 0.26990(15) 0.61268(12) 0.0326(5) Uani 1 1 d . . . . .
H48 H 0.585816 0.286209 0.650423 0.039 Uiso 1 1 calc R . . . .
C27 C 0.97275(19) 0.32999(16) 0.54912(12) 0.0359(6) Uani 1 1 d . . . . .
F6 F 1.0606(13) 0.2812(8) 0.4774(5) 0.087(4) Uani 0.443(19) 1 d D U P G 1
C42 C 0.54979(19) 0.58097(15) 0.54616(12) 0.0346(5) Uani 1 1 d . . . . .
H42 H 0.511878 0.622923 0.532423 0.041 Uiso 1 1 calc R . . . .
C32 C 0.7333(2) 0.43348(16) 0.71629(12) 0.0362(6) Uani 1 1 d . . . . .
H32 H 0.718637 0.481677 0.700348 0.043 Uiso 1 1 calc R . . . .
C49 C 0.53727(18) 0.20997(15) 0.59028(12) 0.0333(5) Uani 1 1 d . . . . .
C36 C 0.76314(18) 0.30373(16) 0.70643(12) 0.0341(5) Uani 1 1 d . . . . .
H36 H 0.769620 0.260798 0.683224 0.041 Uiso 1 1 calc R . . . .
C43 C 0.63400(19) 0.56282(15) 0.52324(12) 0.0335(5) Uani 1 1 d . . . . .
C26 C 1.02570(19) 0.39477(17) 0.55990(13) 0.0392(6) Uani 1 1 d . . . . .
H26 H 1.088852 0.399570 0.548481 0.047 Uiso 1 1 calc R . . . .
C51 C 0.60879(19) 0.22077(15) 0.50379(12) 0.0342(5) Uani 1 1 d . . . . .
C52 C 0.66298(18) 0.28196(15) 0.52586(11) 0.0314(5) Uani 1 1 d . . . . .
H52 H 0.703627 0.307293 0.502221 0.038 Uiso 1 1 calc R . . . .
C41 C 0.52213(18) 0.53644(15) 0.58965(12) 0.0346(6) Uani 1 1 d . . . . .
C34 C 0.7708(2) 0.35712(18) 0.80101(13) 0.0404(6) Uani 1 1 d . . . . .
H34 H 0.780283 0.351945 0.841445 0.048 Uiso 1 1 calc R . . . .
C50 C 0.54549(19) 0.18379(15) 0.53539(12) 0.0358(6) Uani 1 1 d . . . . .
H50 H 0.508870 0.141948 0.520150 0.043 Uiso 1 1 calc R . . . .
F10 F 0.8653(3) 0.22343(19) 0.83714(16) 0.0931(12) Uani 0.840(4) 1 d D U P E 1
C35 C 0.77844(19) 0.29586(16) 0.76560(13) 0.0365(6) Uani 1 1 d . . . . .
C25 C 0.9841(2) 0.45291(16) 0.58797(13) 0.0382(6) Uani 1 1 d . . . . .
C33 C 0.7490(2) 0.42589(17) 0.77586(13) 0.0428(7) Uani 1 1 d . . . . .
C5 C 1.0845(2) 0.37183(17) 0.88262(14) 0.0406(6) Uani 1 1 d . . . . .
H5A H 1.064377 0.366908 0.921501 0.049 Uiso 1 1 calc R . . . .
H5B H 1.027583 0.388777 0.856701 0.049 Uiso 1 1 calc R . . . .
F3 F 1.0620(9) 0.5313(5) 0.6576(3) 0.089(2) Uani 0.481(11) 1 d D U P F 1
C19 C 1.1162(2) 0.29432(18) 0.73579(14) 0.0458(7) Uani 1 1 d . . . . .
C46 C 0.6682(2) 0.61410(17) 0.47921(14) 0.0436(6) Uani 1 1 d D U . . .
C53 C 0.4670(2) 0.17366(19) 0.62515(14) 0.0448(7) Uani 1 1 d . . . . .
C54 C 0.6232(2) 0.19240(19) 0.44535(13) 0.0478(7) Uani 1 1 d D U . . .
C45 C 0.4344(2) 0.55723(18) 0.61767(14) 0.0455(7) Uani 1 1 d D U . . .
C6 C 1.1172(2) 0.29511(16) 0.86271(13) 0.0409(6) Uani 1 1 d . . . . .
H6A H 1.059423 0.265008 0.848776 0.049 Uiso 1 1 calc R . . . .
H6B H 1.152230 0.268324 0.895636 0.049 Uiso 1 1 calc R . . . .
F5 F 1.0834(10) 0.2298(8) 0.5558(5) 0.103(4) Uani 0.443(19) 1 d D U P G 1
C20 C 1.0340(2) 0.3510(2) 0.73720(16) 0.0540(8) Uani 1 1 d . . . . .
H20A H 0.997335 0.339547 0.769348 0.081 Uiso 1 1 calc GR . . . .
H20B H 0.990887 0.348192 0.701313 0.081 Uiso 1 1 calc GR . . . .
H20C H 1.061108 0.401726 0.741825 0.081 Uiso 1 1 calc GR . . . .
C30 C 1.0155(2) 0.26534(19) 0.51978(15) 0.0499(7) Uani 1 1 d D U . . .
C38 C 0.7983(3) 0.2203(2) 0.79219(15) 0.0519(7) Uani 1 1 d D U . . .
C7 C 1.2446(3) 0.4428(2) 0.95851(14) 0.0503(8) Uani 1 1 d . . . . .
B1 B 0.7235(2) 0.37886(16) 0.60968(13) 0.0288(5) Uani 1 1 d . . . . .
F8 F 0.7113(7) 0.4783(3) 0.8644(2) 0.0815(18) Uani 0.576(11) 1 d D U P D 1
C29 C 1.0410(2) 0.52263(19) 0.60307(16) 0.0525(7) Uani 1 1 d D U . . .
C10 C 1.2722(3) 0.3614(2) 0.97383(14) 0.0529(8) Uani 1 1 d . . . . .
H10A H 1.213233 0.331170 0.973785 0.079 Uiso 1 1 calc GR . . . .
H10B H 1.308862 0.359760 1.011902 0.079 Uiso 1 1 calc GR . . . .
H10C H 1.312018 0.341197 0.945577 0.079 Uiso 1 1 calc GR . . . .
C15 C 1.2768(3) 0.21700(17) 0.81748(14) 0.0465(7) Uani 1 1 d . . . . .
C11 C 1.1095(3) 0.53312(18) 0.87053(17) 0.0538(8) Uani 1 1 d . . . . .
C22 C 1.1732(3) 0.3159(3) 0.68593(15) 0.0621(10) Uani 1 1 d . . . . .
H22A H 1.196154 0.367707 0.690922 0.093 Uiso 1 1 calc GR . . . .
H22B H 1.130937 0.311557 0.649795 0.093 Uiso 1 1 calc GR . . . .
H22C H 1.228705 0.282135 0.685251 0.093 Uiso 1 1 calc GR . . . .
F4 F 0.9549(6) 0.2092(5) 0.5040(7) 0.079(3) Uani 0.443(19) 1 d D U P G 1
C16 C 1.3552(3) 0.2362(2) 0.86705(15) 0.0540(8) Uani 1 1 d . . . . .
H16A H 1.382810 0.285646 0.860324 0.081 Uiso 1 1 calc GR . . . .
H16B H 1.406553 0.198269 0.869182 0.081 Uiso 1 1 calc GR . . . .
H16C H 1.326225 0.237025 0.903134 0.081 Uiso 1 1 calc GR . . . .
C14 C 1.0724(3) 0.5346(2) 0.80637(17) 0.0588(9) Uani 1 1 d . . . . .
H14A H 1.126957 0.527381 0.783890 0.088 Uiso 1 1 calc GR . . . .
H14B H 1.041618 0.583082 0.796640 0.088 Uiso 1 1 calc GR . . . .
H14C H 1.025116 0.494235 0.797743 0.088 Uiso 1 1 calc GR . . . .
C17 C 1.2228(3) 0.14691(18) 0.83439(19) 0.0642(10) Uani 1 1 d . . . . .
H17A H 1.192051 0.157341 0.869044 0.096 Uiso 1 1 calc GR . . . .
H17B H 1.268761 0.105361 0.841724 0.096 Uiso 1 1 calc GR . . . .
H17C H 1.173139 0.133184 0.803213 0.096 Uiso 1 1 calc GR . . . .
C18 C 1.3278(3) 0.1988(2) 0.76477(17) 0.0607(9) Uani 1 1 d . . . . .
H18A H 1.279443 0.185112 0.732862 0.091 Uiso 1 1 calc GR . . . .
H18B H 1.372456 0.156691 0.773457 0.091 Uiso 1 1 calc GR . . . .
H18C H 1.364123 0.242809 0.754232 0.091 Uiso 1 1 calc GR . . . .
C37 C 0.7385(4) 0.4933(2) 0.81215(16) 0.0700(10) Uani 1 1 d D U . . .
C9 C 1.3398(3) 0.4872(2) 0.9603(2) 0.0746(13) Uani 1 1 d . . . . .
H9A H 1.381947 0.463454 0.934826 0.112 Uiso 1 1 calc GR . . . .
H9B H 1.372285 0.487532 0.999477 0.112 Uiso 1 1 calc GR . . . .
H9C H 1.325697 0.538852 0.947709 0.112 Uiso 1 1 calc GR . . . .
C13 C 1.1728(4) 0.6029(2) 0.8845(2) 0.0753(13) Uani 1 1 d . . . . .
H13A H 1.193025 0.604757 0.925773 0.113 Uiso 1 1 calc GR . . . .
H13B H 1.135614 0.648071 0.872806 0.113 Uiso 1 1 calc GR . . . .
H13C H 1.230218 0.600206 0.863904 0.113 Uiso 1 1 calc GR . . . .
C21 C 1.0719(3) 0.2160(2) 0.7263(2) 0.0709(12) Uani 1 1 d . . . . .
H21A H 1.122759 0.180131 0.719408 0.106 Uiso 1 1 calc GR . . . .
H21B H 1.022599 0.217067 0.693016 0.106 Uiso 1 1 calc GR . . . .
H21C H 1.041960 0.200806 0.760235 0.106 Uiso 1 1 calc GR . . . .
C12 C 1.0204(3) 0.5374(3) 0.9039(2) 0.0777(13) Uani 1 1 d . . . . .
H12A H 0.981289 0.491890 0.896741 0.117 Uiso 1 1 calc GR . . . .
H12B H 0.981394 0.581402 0.891221 0.117 Uiso 1 1 calc GR . . . .
H12C H 1.041743 0.541652 0.944897 0.117 Uiso 1 1 calc GR . . . .
C8 C 1.1835(4) 0.4721(3) 1.00393(18) 0.0838(14) Uani 1 1 d . . . . .
H8A H 1.171354 0.525898 0.997934 0.126 Uiso 1 1 calc GR . . . .
H8B H 1.218317 0.464131 1.042030 0.126 Uiso 1 1 calc GR . . . .
H8C H 1.121652 0.445190 1.000919 0.126 Uiso 1 1 calc GR . . . .
C4 C 1.4797(7) 0.3790(8) 0.7783(7) 0.070(3) Uani 0.487(3) 1 d . . P H 1
H4A H 1.491075 0.418383 0.807311 0.105 Uiso 0.487(3) 1 calc GR . P H 1
H4B H 1.529315 0.381841 0.751902 0.105 Uiso 0.487(3) 1 calc GR . P H 1
H4C H 1.482717 0.329739 0.796998 0.105 Uiso 0.487(3) 1 calc GR . P H 1
C1 C 1.3587(8) 0.5206(6) 0.7802(5) 0.069(3) Uani 0.487(3) 1 d . . P H 1
H1A H 1.324070 0.564888 0.763905 0.104 Uiso 0.487(3) 1 calc GR . P H 1
H1B H 1.428454 0.530681 0.785100 0.104 Uiso 0.487(3) 1 calc GR . P H 1
H1C H 1.336972 0.508871 0.817394 0.104 Uiso 0.487(3) 1 calc GR . P H 1
C3 C 1.3837(6) 0.3893(6) 0.7464(4) 0.052(2) Uani 0.487(3) 1 d . . P H 1
H3 H 1.362647 0.350710 0.716685 0.063 Uiso 0.487(3) 1 calc R . P H 1
C2 C 1.3385(5) 0.4562(4) 0.7413(3) 0.0538(18) Uani 0.487(3) 1 d . . P H 1
H2 H 1.292804 0.464848 0.705883 0.065 Uiso 0.487(3) 1 calc R . P H 1
C2A C 1.4172(5) 0.4656(5) 0.8161(4) 0.070(2) Uani 0.513(3) 1 d . . P H 2
H2A H 1.462957 0.458587 0.848858 0.084 Uiso 0.513(3) 1 calc R . P H 2
C3A C 1.4151(7) 0.4111(6) 0.7660(5) 0.065(2) Uani 0.513(3) 1 d . . P H 2
H3AA H 1.408521 0.439870 0.729827 0.078 Uiso 0.513(3) 1 calc R . P H 2
H3AB H 1.357604 0.378172 0.765806 0.078 Uiso 0.513(3) 1 calc R . P H 2
C1A C 1.3540(8) 0.5242(5) 0.8144(6) 0.076(3) Uani 0.513(3) 1 d . . P H 2
H1AA H 1.308035 0.531450 0.781805 0.091 Uiso 0.513(3) 1 calc R . P H 2
H1AB H 1.355827 0.557885 0.845847 0.091 Uiso 0.513(3) 1 calc R . P H 2
C4A C 1.5068(9) 0.3620(11) 0.7689(8) 0.090(5) Uani 0.513(3) 1 d . . P H 2
H4AA H 1.515653 0.335401 0.805548 0.135 Uiso 0.513(3) 1 calc GR . P H 2
H4AB H 1.563270 0.393869 0.765289 0.135 Uiso 0.513(3) 1 calc GR . P H 2
H4AC H 1.499825 0.325437 0.737529 0.135 Uiso 0.513(3) 1 calc GR . P H 2
F13A F 0.3743(11) 0.5014(8) 0.6222(7) 0.052(2) Uani 0.283(17) 1 d D U P B 2
F15A F 0.3859(12) 0.6141(8) 0.5938(7) 0.065(2) Uani 0.283(17) 1 d D U P B 2
F14A F 0.4645(10) 0.5781(9) 0.6728(5) 0.054(2) Uani 0.283(17) 1 d D U P B 2
F18A F 0.7440(13) 0.6535(12) 0.5094(8) 0.056(3) Uani 0.142(11) 1 d D U P A 2
F16A F 0.7082(16) 0.5770(14) 0.4401(9) 0.051(3) Uani 0.142(11) 1 d D U P A 2
F17A F 0.6073(12) 0.6652(11) 0.4606(11) 0.058(3) Uani 0.142(11) 1 d D U P A 2
F6A F 0.9554(5) 0.2441(9) 0.4741(5) 0.108(4) Uani 0.557(19) 1 d D U P G 2
F5A F 1.0929(6) 0.2852(7) 0.4962(6) 0.088(3) Uani 0.557(19) 1 d D U P G 2
F4A F 1.0369(12) 0.2102(5) 0.5516(5) 0.113(4) Uani 0.557(19) 1 d D U P G 2
F2A F 1.0940(6) 0.5431(6) 0.5611(3) 0.0742(18) Uani 0.519(11) 1 d D U P F 2
F1A F 1.1100(5) 0.5109(4) 0.6479(3) 0.0764(18) Uani 0.519(11) 1 d D U P F 2
F3A F 0.9916(5) 0.5807(4) 0.6161(5) 0.0846(19) Uani 0.519(11) 1 d D U P F 2
F22A F 0.5560(14) 0.2243(12) 0.4079(8) 0.074(3) Uani 0.139(5) 1 d D U P C 2
F24A F 0.7042(11) 0.2192(11) 0.4261(6) 0.063(3) Uani 0.139(5) 1 d D U P C 2
F23A F 0.6152(16) 0.1215(7) 0.4379(8) 0.065(3) Uani 0.139(5) 1 d D U P C 2
F7A F 0.6568(8) 0.5243(7) 0.8081(4) 0.080(2) Uani 0.424(11) 1 d D U P D 2
F9A F 0.8064(10) 0.5445(8) 0.7969(4) 0.0674(19) Uani 0.424(11) 1 d D U P D 2
F8A F 0.7794(10) 0.4776(4) 0.8673(3) 0.085(2) Uani 0.424(11) 1 d D U P D 2
F12A F 0.8850(9) 0.1990(9) 0.7855(8) 0.069(2) Uani 0.160(4) 1 d D U P E 2
F11A F 0.7435(12) 0.1668(7) 0.7659(7) 0.078(3) Uani 0.160(4) 1 d D U P E 2
F10A F 0.7854(14) 0.2140(8) 0.8463(5) 0.073(3) Uani 0.160(4) 1 d D U P E 2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Rh1 0.03174(10) 0.02973(11) 0.04772(12) 0.00452(9) 0.00871(8) -0.00479(8)
P2 0.0361(3) 0.0248(3) 0.0366(3) 0.0026(3) 0.0025(3) -0.0022(2)
P1 0.0375(3) 0.0275(3) 0.0430(4) 0.0001(3) 0.0059(3) -0.0001(3)
F19 0.0583(11) 0.0676(13) 0.0448(10) 0.0084(9) 0.0090(9) -0.0149(10)
F18 0.0407(15) 0.0584(15) 0.0506(16) 0.0124(12) 0.0107(12) 0.0062(14)
F16 0.0461(12) 0.0567(19) 0.0629(18) 0.0259(15) 0.0020(11) 0.0097(11)
F20 0.0923(16) 0.0596(13) 0.0650(14) -0.0035(11) 0.0214(12) -0.0410(12)
F13 0.037(2) 0.0644(18) 0.076(3) 0.011(2) 0.021(2) 0.0072(15)
F15 0.0345(16) 0.064(3) 0.063(2) -0.0007(18) 0.0049(13) 0.0172(16)
F21 0.0395(10) 0.1025(19) 0.0981(19) 0.0364(15) 0.0285(11) 0.0090(11)
F17 0.092(3) 0.0445(16) 0.0719(18) -0.0019(14) 0.0216(17) -0.0266(17)
F14 0.0504(18) 0.078(3) 0.069(3) -0.035(2) 0.0109(18) 0.012(2)
F22 0.088(2) 0.0749(18) 0.0524(15) -0.0265(13) 0.0113(15) -0.0329(16)
F24 0.127(3) 0.0658(17) 0.0386(12) 0.0045(12) 0.0105(16) -0.0113(17)
F7 0.116(3) 0.055(3) 0.041(3) -0.010(2) 0.029(3) 0.016(2)
F9 0.127(3) 0.054(3) 0.068(5) -0.023(4) -0.020(4) -0.025(2)
F23 0.0653(15) 0.120(3) 0.0553(16) -0.0363(18) 0.0094(12) 0.0235(16)
F12 0.122(3) 0.0565(16) 0.0667(18) 0.0156(14) 0.0300(18) 0.0424(17)
F2 0.067(3) 0.034(2) 0.085(4) 0.001(3) 0.003(3) -0.0097(18)
C31 0.0255(11) 0.0330(13) 0.0338(13) -0.0013(10) 0.0048(9) -0.0018(9)
F1 0.046(3) 0.066(4) 0.120(5) -0.010(4) 0.024(3) -0.017(3)
C47 0.0253(11) 0.0261(11) 0.0363(13) 0.0009(10) 0.0013(9) 0.0033(9)
C23 0.0279(11) 0.0310(12) 0.0305(12) 0.0008(10) 0.0012(9) 0.0031(10)
C40 0.0310(12) 0.0316(13) 0.0353(13) -0.0035(10) 0.0045(10) -0.0009(10)
C28 0.0304(12) 0.0326(13) 0.0358(13) -0.0015(10) 0.0040(10) 0.0032(10)
C39 0.0272(11) 0.0258(12) 0.0352(13) -0.0056(10) 0.0012(9) -0.0014(9)
C44 0.0262(11) 0.0293(12) 0.0372(13) -0.0038(10) 0.0014(10) -0.0001(9)
F11 0.0801(19) 0.0533(16) 0.120(3) 0.0364(17) 0.0442(18) 0.0046(14)
C24 0.0294(12) 0.0322(13) 0.0380(14) -0.0025(11) 0.0015(10) 0.0029(10)
C48 0.0298(12) 0.0316(12) 0.0367(13) -0.0029(10) 0.0051(10) 0.0031(10)
C27 0.0322(13) 0.0388(14) 0.0372(14) -0.0018(11) 0.0057(11) 0.0055(11)
F6 0.138(10) 0.067(5) 0.070(5) -0.005(4) 0.067(6) 0.012(6)
C42 0.0313(12) 0.0279(12) 0.0429(14) -0.0043(11) -0.0031(10) 0.0021(10)
C32 0.0447(14) 0.0301(13) 0.0337(14) -0.0013(11) 0.0038(11) -0.0059(11)
C49 0.0279(11) 0.0319(13) 0.0400(14) 0.0025(11) 0.0035(10) -0.0004(10)
C36 0.0309(12) 0.0349(13) 0.0368(14) -0.0020(11) 0.0048(10) 0.0028(10)
C43 0.0329(12) 0.0281(12) 0.0383(14) -0.0016(11) -0.0012(10) -0.0033(10)
C26 0.0281(12) 0.0473(16) 0.0433(15) 0.0039(12) 0.0087(11) 0.0018(11)
C51 0.0332(12) 0.0330(13) 0.0355(14) -0.0003(11) 0.0004(10) 0.0027(10)
C52 0.0299(12) 0.0307(12) 0.0335(13) 0.0012(10) 0.0024(10) 0.0028(10)
C41 0.0274(12) 0.0346(13) 0.0417(14) -0.0059(11) 0.0029(10) 0.0023(10)
C34 0.0417(15) 0.0445(16) 0.0351(14) 0.0016(12) 0.0051(11) -0.0089(12)
C50 0.0339(13) 0.0315(13) 0.0407(15) -0.0007(11) -0.0015(11) -0.0011(10)
F10 0.105(2) 0.077(2) 0.086(2) 0.0288(17) -0.0372(19) 0.0094(18)
C35 0.0295(12) 0.0398(15) 0.0405(15) 0.0072(12) 0.0058(10) 0.0003(11)
C25 0.0320(13) 0.0357(14) 0.0469(16) 0.0048(12) 0.0035(11) -0.0028(11)
C33 0.0563(18) 0.0362(15) 0.0362(15) -0.0048(12) 0.0062(13) -0.0125(13)
C5 0.0372(14) 0.0398(15) 0.0463(16) 0.0026(12) 0.0115(12) -0.0033(12)
F3 0.116(5) 0.072(4) 0.073(3) -0.004(3) -0.021(3) -0.045(4)
C19 0.0470(16) 0.0444(17) 0.0435(17) -0.0030(13) -0.0065(13) -0.0043(13)
C46 0.0385(13) 0.0373(14) 0.0549(17) 0.0067(12) 0.0048(12) -0.0007(11)
C53 0.0392(15) 0.0479(17) 0.0471(17) 0.0054(14) 0.0032(13) -0.0095(13)
C54 0.0568(17) 0.0513(16) 0.0348(14) -0.0088(12) 0.0033(12) -0.0060(14)
C45 0.0361(13) 0.0463(15) 0.0548(17) -0.0064(13) 0.0084(12) 0.0075(12)
C6 0.0435(15) 0.0353(14) 0.0441(16) 0.0032(12) 0.0058(12) -0.0098(12)
F5 0.116(7) 0.106(9) 0.080(5) -0.033(5) -0.019(5) 0.075(6)
C20 0.0443(16) 0.059(2) 0.055(2) 0.0029(16) -0.0124(14) -0.0014(15)
C30 0.0412(15) 0.0499(18) 0.062(2) -0.0129(15) 0.0183(14) 0.0042(13)
C38 0.0604(18) 0.0464(16) 0.0505(17) 0.0129(14) 0.0128(14) 0.0129(14)
C7 0.062(2) 0.0462(17) 0.0412(17) -0.0071(14) -0.0009(14) -0.0051(15)
B1 0.0291(13) 0.0253(12) 0.0320(14) -0.0027(11) 0.0041(10) 0.0000(10)
F8 0.157(5) 0.049(2) 0.041(2) -0.0065(16) 0.024(3) 0.010(3)
C29 0.0429(15) 0.0414(15) 0.073(2) -0.0012(15) 0.0074(14) -0.0092(13)
C10 0.061(2) 0.055(2) 0.0400(17) 0.0090(14) -0.0064(14) -0.0016(16)
C15 0.0631(19) 0.0295(14) 0.0467(17) 0.0052(12) 0.0055(14) 0.0094(13)
C11 0.063(2) 0.0327(15) 0.066(2) -0.0021(15) 0.0108(17) 0.0120(14)
C22 0.065(2) 0.082(3) 0.0378(17) 0.0043(17) -0.0005(15) 0.013(2)
F4 0.059(3) 0.060(4) 0.126(9) -0.046(5) 0.041(4) -0.007(3)
C16 0.0585(19) 0.0472(18) 0.0538(19) 0.0097(15) -0.0041(15) 0.0196(15)
C14 0.066(2) 0.0395(17) 0.070(2) 0.0099(16) 0.0043(18) 0.0216(16)
C17 0.092(3) 0.0274(15) 0.074(3) 0.0065(16) 0.010(2) 0.0047(17)
C18 0.074(2) 0.050(2) 0.060(2) -0.0027(17) 0.0154(18) 0.0214(18)
C37 0.128(3) 0.0419(17) 0.0399(17) -0.0064(14) 0.0081(19) -0.0154(18)
C9 0.077(3) 0.057(2) 0.082(3) -0.006(2) -0.023(2) -0.022(2)
C13 0.107(4) 0.0311(17) 0.085(3) -0.0053(18) 0.002(3) 0.0081(19)
C21 0.075(3) 0.057(2) 0.075(3) -0.020(2) -0.015(2) -0.015(2)
C12 0.077(3) 0.071(3) 0.089(3) -0.004(2) 0.025(2) 0.036(2)
C8 0.112(4) 0.088(3) 0.052(2) -0.020(2) 0.012(2) 0.020(3)
C4 0.016(6) 0.088(8) 0.108(9) 0.020(6) 0.020(5) -0.004(5)
C1 0.074(6) 0.063(6) 0.076(6) 0.014(5) 0.030(5) -0.030(4)
C3 0.042(5) 0.066(5) 0.048(5) 0.005(4) 0.005(3) -0.013(4)
C2 0.056(4) 0.058(4) 0.050(4) 0.014(3) 0.018(3) -0.014(3)
C2A 0.042(4) 0.074(5) 0.095(6) 0.014(5) 0.019(4) -0.029(4)
C3A 0.042(5) 0.088(7) 0.069(6) 0.008(5) 0.024(4) -0.018(5)
C1A 0.066(5) 0.037(4) 0.128(10) 0.024(6) 0.028(7) -0.018(3)
C4A 0.020(6) 0.151(13) 0.099(9) 0.002(8) 0.012(5) 0.007(6)
F13A 0.029(4) 0.065(4) 0.064(5) -0.012(4) 0.010(4) -0.005(3)
F15A 0.056(5) 0.065(4) 0.075(5) 0.001(4) 0.015(4) 0.026(4)
F14A 0.042(4) 0.060(5) 0.063(4) -0.018(4) 0.018(3) 0.002(4)
F18A 0.058(5) 0.045(5) 0.065(5) 0.010(5) 0.009(4) -0.012(4)
F16A 0.049(6) 0.055(5) 0.051(5) 0.011(4) 0.007(5) 0.001(5)
F17A 0.060(5) 0.045(5) 0.070(6) 0.022(5) 0.009(5) 0.004(4)
F6A 0.067(3) 0.137(9) 0.117(6) -0.090(6) -0.003(4) 0.023(4)
F5A 0.063(4) 0.077(4) 0.138(8) -0.034(5) 0.067(4) 0.000(3)
F4A 0.196(11) 0.041(3) 0.115(7) 0.020(4) 0.077(6) 0.054(5)
F2A 0.070(4) 0.068(3) 0.084(3) 0.023(3) 0.007(3) -0.028(3)
F1A 0.070(3) 0.063(3) 0.088(3) 0.003(3) -0.031(3) -0.025(3)
F3A 0.055(2) 0.056(3) 0.144(5) -0.032(4) 0.016(4) -0.009(2)
F22A 0.093(5) 0.081(5) 0.045(5) 0.000(5) -0.007(5) -0.003(5)
F24A 0.078(4) 0.079(5) 0.036(5) -0.030(4) 0.022(4) -0.009(5)
F23A 0.084(6) 0.066(4) 0.048(5) -0.022(4) 0.013(5) -0.002(5)
F7A 0.128(4) 0.063(4) 0.059(5) -0.029(4) 0.047(4) -0.009(3)
F9A 0.118(4) 0.039(3) 0.040(4) -0.010(3) -0.012(4) -0.024(3)
F8A 0.165(5) 0.052(3) 0.038(2) -0.013(2) 0.004(4) -0.015(4)
F12A 0.074(4) 0.053(5) 0.082(5) 0.013(5) 0.013(4) 0.025(4)
F11A 0.096(5) 0.049(5) 0.089(5) 0.017(4) 0.003(5) 0.002(4)
F10A 0.100(5) 0.052(5) 0.068(4) 0.024(4) 0.019(4) 0.017(5)
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P2 2.2618(7) . ?
Rh1 P1 2.2649(8) . ?
Rh1 C1 2.418(9) . ?
Rh1 C3 2.356(9) . ?
Rh1 C2 2.168(6) . ?
Rh1 C2A 2.154(6) . ?
Rh1 C3A 2.349(9) . ?
Rh1 C1A 2.250(8) . ?
P2 C19 1.881(3) . ?
P2 C6 1.838(3) . ?
P2 C15 1.899(3) . ?
P1 C5 1.848(3) . ?
P1 C7 1.876(3) . ?
P1 C11 1.894(3) . ?
F19 C53 1.339(4) . ?
F18 C46 1.343(4) . ?
F16 C46 1.354(4) . ?
F20 C53 1.334(4) . ?
F13 C45 1.348(6) . ?
F15 C45 1.349(5) . ?
F21 C53 1.336(4) . ?
F17 C46 1.336(4) . ?
F14 C45 1.329(5) . ?
F22 C54 1.344(4) . ?
F24 C54 1.312(4) . ?
F7 C37 1.433(8) . ?
F9 C37 1.295(9) . ?
F23 C54 1.329(4) . ?
F12 C38 1.338(4) . ?
F2 C29 1.361(7) . ?
C31 C32 1.394(4) . ?
C31 C36 1.402(4) . ?
C31 B1 1.640(4) . ?
F1 C29 1.311(8) . ?
C47 C48 1.397(4) . ?
C47 C52 1.408(4) . ?
C47 B1 1.646(4) . ?
C23 C28 1.397(4) . ?
C23 C24 1.406(4) . ?
C23 B1 1.645(4) . ?
C40 H40 0.9500 . ?
C40 C39 1.400(3) . ?
C40 C41 1.394(4) . ?
C28 H28 0.9500 . ?
C28 C27 1.393(4) . ?
C39 C44 1.398(4) . ?
C39 B1 1.647(4) . ?
C44 H44 0.9500 . ?
C44 C43 1.396(4) . ?
F11 C38 1.298(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.392(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.388(4) . ?
C27 C26 1.377(4) . ?
C27 C30 1.499(4) . ?
F6 C30 1.268(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.381(4) . ?
C42 C41 1.383(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.400(4) . ?
C49 C50 1.390(4) . ?
C49 C53 1.492(4) . ?
C36 H36 0.9500 . ?
C36 C35 1.391(4) . ?
C43 C46 1.498(4) . ?
C26 H26 0.9500 . ?
C26 C25 1.389(4) . ?
C51 C52 1.392(4) . ?
C51 C50 1.381(4) . ?
C51 C54 1.499(4) . ?
C52 H52 0.9500 . ?
C41 C45 1.497(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.384(4) . ?
C34 C33 1.380(4) . ?
C50 H50 0.9500 . ?
F10 C38 1.329(4) . ?
C35 C38 1.497(4) . ?
C25 C29 1.494(4) . ?
C33 C37 1.491(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.530(4) . ?
F3 C29 1.293(7) . ?
C19 C20 1.528(5) . ?
C19 C22 1.536(5) . ?
C19 C21 1.531(5) . ?
C46 F18A 1.392(12) . ?
C46 F16A 1.308(13) . ?
C46 F17A 1.286(11) . ?
C54 F22A 1.335(12) . ?
C54 F24A 1.347(11) . ?
C54 F23A 1.279(12) . ?
C45 F13A 1.310(11) . ?
C45 F15A 1.308(9) . ?
C45 F14A 1.370(10) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
F5 C30 1.352(8) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C30 F4 1.333(7) . ?
C30 F6A 1.339(6) . ?
C30 F5A 1.314(7) . ?
C30 F4A 1.250(8) . ?
C38 F12A 1.290(11) . ?
C38 F11A 1.329(11) . ?
C38 F10A 1.311(11) . ?
C7 C10 1.533(5) . ?
C7 C9 1.537(5) . ?
C7 C8 1.530(5) . ?
F8 C37 1.352(6) . ?
C29 F2A 1.348(7) . ?
C29 F1A 1.360(6) . ?
C29 F3A 1.297(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C15 C16 1.542(5) . ?
C15 C17 1.532(5) . ?
C15 C18 1.531(5) . ?
C11 C14 1.539(5) . ?
C11 C13 1.537(5) . ?
C11 C12 1.540(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C37 F7A 1.257(10) . ?
C37 F9A 1.388(10) . ?
C37 F8A 1.385(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C3 1.466(14) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.474(13) . ?
C3 H3 1.0000 . ?
C3 C2 1.347(13) . ?
C2 H2 1.0000 . ?
C2A H2A 0.9500 . ?
C2A C3A 1.525(14) . ?
C2A C1A 1.363(14) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C3A C4A 1.541(14) . ?
C1A H1AA 0.9500 . ?
C1A H1AB 0.9500 . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Rh1 P1 87.35(3) . . ?
P2 Rh1 C1 153.8(3) . . ?
P2 Rh1 C3 96.6(2) . . ?
P2 Rh1 C3A 111.0(3) . . ?
P1 Rh1 C1 113.1(3) . . ?
P1 Rh1 C3 176.0(2) . . ?
P1 Rh1 C3A 158.9(3) . . ?
C3 Rh1 C1 63.3(4) . . ?
C2 Rh1 P2 117.3(2) . . ?
C2 Rh1 P1 143.4(2) . . ?
C2 Rh1 C1 37.0(3) . . ?
C2 Rh1 C3 34.3(3) . . ?
C2A Rh1 P2 144.6(3) . . ?
C2A Rh1 P1 119.7(3) . . ?
C2A Rh1 C3A 39.3(4) . . ?
C2A Rh1 C1A 36.0(4) . . ?
C1A Rh1 P2 173.2(3) . . ?
C1A Rh1 P1 96.7(3) . . ?
C1A Rh1 C3A 66.1(4) . . ?
C19 P2 Rh1 113.72(11) . . ?
C19 P2 C15 110.17(15) . . ?
C6 P2 Rh1 108.70(10) . . ?
C6 P2 C19 106.74(15) . . ?
C6 P2 C15 102.70(14) . . ?
C15 P2 Rh1 113.96(11) . . ?
C5 P1 Rh1 108.21(10) . . ?
C5 P1 C7 105.97(15) . . ?
C5 P1 C11 102.23(15) . . ?
C7 P1 Rh1 114.23(12) . . ?
C7 P1 C11 109.88(16) . . ?
C11 P1 Rh1 115.20(12) . . ?
C32 C31 C36 115.5(2) . . ?
C32 C31 B1 123.9(2) . . ?
C36 C31 B1 120.5(2) . . ?
C48 C47 C52 115.2(2) . . ?
C48 C47 B1 121.9(2) . . ?
C52 C47 B1 122.8(2) . . ?
C28 C23 C24 115.6(2) . . ?
C28 C23 B1 125.4(2) . . ?
C24 C23 B1 119.0(2) . . ?
C39 C40 H40 118.8 . . ?
C41 C40 H40 118.8 . . ?
C41 C40 C39 122.3(3) . . ?
C23 C28 H28 119.0 . . ?
C27 C28 C23 122.0(3) . . ?
C27 C28 H28 119.0 . . ?
C40 C39 B1 120.7(2) . . ?
C44 C39 C40 115.5(2) . . ?
C44 C39 B1 123.7(2) . . ?
C39 C44 H44 118.8 . . ?
C43 C44 C39 122.4(2) . . ?
C43 C44 H44 118.8 . . ?
C23 C24 H24 118.9 . . ?
C25 C24 C23 122.3(3) . . ?
C25 C24 H24 118.9 . . ?
C47 C48 H48 118.5 . . ?
C49 C48 C47 123.0(3) . . ?
C49 C48 H48 118.5 . . ?
C28 C27 C30 118.8(3) . . ?
C26 C27 C28 121.4(3) . . ?
C26 C27 C30 119.9(3) . . ?
C43 C42 H42 120.9 . . ?
C43 C42 C41 118.2(2) . . ?
C41 C42 H42 120.9 . . ?
C31 C32 H32 119.0 . . ?
C31 C32 C33 122.0(3) . . ?
C33 C32 H32 119.0 . . ?
C48 C49 C50 120.7(3) . . ?
C48 C49 C53 119.8(3) . . ?
C50 C49 C53 119.5(3) . . ?
C31 C36 H36 118.7 . . ?
C35 C36 C31 122.6(3) . . ?
C35 C36 H36 118.7 . . ?
C44 C43 C46 120.8(3) . . ?
C42 C43 C44 120.7(3) . . ?
C42 C43 C46 118.4(2) . . ?
C27 C26 H26 121.0 . . ?
C27 C26 C25 118.1(2) . . ?
C25 C26 H26 121.0 . . ?
C52 C51 C54 118.9(3) . . ?
C50 C51 C52 121.6(3) . . ?
C50 C51 C54 119.4(3) . . ?
C47 C52 H52 119.1 . . ?
C51 C52 C47 121.8(2) . . ?
C51 C52 H52 119.1 . . ?
C40 C41 C45 119.6(3) . . ?
C42 C41 C40 120.8(2) . . ?
C42 C41 C45 119.5(3) . . ?
C35 C34 H34 121.0 . . ?
C33 C34 H34 121.0 . . ?
C33 C34 C35 118.1(3) . . ?
C49 C50 H50 121.2 . . ?
C51 C50 C49 117.6(3) . . ?
C51 C50 H50 121.2 . . ?
C36 C35 C38 120.6(3) . . ?
C34 C35 C36 120.6(3) . . ?
C34 C35 C38 118.7(3) . . ?
C24 C25 C29 119.7(3) . . ?
C26 C25 C24 120.6(3) . . ?
C26 C25 C29 119.7(3) . . ?
C32 C33 C37 118.8(3) . . ?
C34 C33 C32 121.1(3) . . ?
C34 C33 C37 120.1(3) . . ?
P1 C5 H5A 109.1 . . ?
P1 C5 H5B 109.1 . . ?
H5A C5 H5B 107.9 . . ?
C6 C5 P1 112.28(19) . . ?
C6 C5 H5A 109.1 . . ?
C6 C5 H5B 109.1 . . ?
C20 C19 P2 107.3(2) . . ?
C20 C19 C22 107.5(3) . . ?
C20 C19 C21 108.5(3) . . ?
C22 C19 P2 109.8(2) . . ?
C21 C19 P2 113.0(3) . . ?
C21 C19 C22 110.4(3) . . ?
F18 C46 F16 105.5(3) . . ?
F18 C46 C43 113.8(3) . . ?
F16 C46 C43 112.8(3) . . ?
F17 C46 F18 105.7(3) . . ?
F17 C46 F16 106.1(3) . . ?
F17 C46 C43 112.3(3) . . ?
F18A C46 C43 103.6(9) . . ?
F16A C46 C43 111.8(13) . . ?
F16A C46 F18A 104.9(11) . . ?
F17A C46 C43 114.8(9) . . ?
F17A C46 F18A 104.4(10) . . ?
F17A C46 F16A 115.7(14) . . ?
F19 C53 C49 112.7(2) . . ?
F20 C53 F19 106.2(3) . . ?
F20 C53 F21 105.8(3) . . ?
F20 C53 C49 113.1(3) . . ?
F21 C53 F19 105.8(3) . . ?
F21 C53 C49 112.6(3) . . ?
F22 C54 C51 112.9(3) . . ?
F24 C54 F22 105.5(3) . . ?
F24 C54 F23 107.5(3) . . ?
F24 C54 C51 114.1(3) . . ?
F23 C54 F22 104.8(3) . . ?
F23 C54 C51 111.3(3) . . ?
F22A C54 C51 107.8(9) . . ?
F22A C54 F24A 100.2(11) . . ?
F24A C54 C51 113.0(6) . . ?
F23A C54 C51 116.1(9) . . ?
F23A C54 F22A 106.6(11) . . ?
F23A C54 F24A 111.6(11) . . ?
F13 C45 F15 105.3(3) . . ?
F13 C45 C41 112.8(4) . . ?
F15 C45 C41 112.8(3) . . ?
F14 C45 F13 106.1(4) . . ?
F14 C45 F15 106.2(3) . . ?
F14 C45 C41 113.0(3) . . ?
F13A C45 C41 113.9(8) . . ?
F13A C45 F14A 105.0(8) . . ?
F15A C45 C41 114.1(6) . . ?
F15A C45 F13A 108.8(8) . . ?
F15A C45 F14A 106.5(7) . . ?
F14A C45 C41 107.9(6) . . ?
P2 C6 H6A 109.2 . . ?
P2 C6 H6B 109.2 . . ?
C5 C6 P2 112.26(19) . . ?
C5 C6 H6A 109.2 . . ?
C5 C6 H6B 109.2 . . ?
H6A C6 H6B 107.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
F6 C30 C27 116.5(7) . . ?
F6 C30 F5 103.0(8) . . ?
F6 C30 F4 107.6(7) . . ?
F5 C30 C27 110.8(6) . . ?
F4 C30 C27 115.8(4) . . ?
F4 C30 F5 101.4(6) . . ?
F6A C30 C27 110.1(4) . . ?
F5A C30 C27 111.9(6) . . ?
F5A C30 F6A 101.7(6) . . ?
F4A C30 C27 114.1(5) . . ?
F4A C30 F6A 110.1(7) . . ?
F4A C30 F5A 108.3(7) . . ?
F12 C38 C35 113.1(3) . . ?
F11 C38 F12 105.9(4) . . ?
F11 C38 F10 106.9(3) . . ?
F11 C38 C35 113.1(3) . . ?
F10 C38 F12 105.3(3) . . ?
F10 C38 C35 112.0(3) . . ?
F12A C38 C35 110.2(7) . . ?
F12A C38 F11A 103.1(10) . . ?
F12A C38 F10A 109.0(10) . . ?
F11A C38 C35 112.4(7) . . ?
F10A C38 C35 116.3(7) . . ?
F10A C38 F11A 104.9(11) . . ?
C10 C7 P1 107.6(2) . . ?
C10 C7 C9 106.8(3) . . ?
C9 C7 P1 109.6(3) . . ?
C8 C7 P1 114.5(3) . . ?
C8 C7 C10 107.6(3) . . ?
C8 C7 C9 110.4(4) . . ?
C31 B1 C47 110.0(2) . . ?
C31 B1 C23 104.9(2) . . ?
C31 B1 C39 112.6(2) . . ?
C47 B1 C39 105.87(19) . . ?
C23 B1 C47 113.4(2) . . ?
C23 B1 C39 110.2(2) . . ?
F2 C29 C25 110.3(4) . . ?
F1 C29 F2 102.9(5) . . ?
F1 C29 C25 114.9(5) . . ?
F3 C29 F2 104.4(5) . . ?
F3 C29 F1 110.5(6) . . ?
F3 C29 C25 112.9(4) . . ?
F2A C29 C25 111.6(5) . . ?
F2A C29 F1A 102.4(5) . . ?
F1A C29 C25 111.4(4) . . ?
F3A C29 C25 116.1(4) . . ?
F3A C29 F2A 107.7(6) . . ?
F3A C29 F1A 106.6(5) . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C15 P2 106.7(2) . . ?
C17 C15 P2 113.5(2) . . ?
C17 C15 C16 108.1(3) . . ?
C18 C15 P2 111.6(2) . . ?
C18 C15 C16 107.9(3) . . ?
C18 C15 C17 108.8(3) . . ?
C14 C11 P1 106.7(2) . . ?
C14 C11 C12 107.4(3) . . ?
C13 C11 P1 111.8(3) . . ?
C13 C11 C14 108.5(3) . . ?
C13 C11 C12 108.9(3) . . ?
C12 C11 P1 113.4(3) . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
F7 C37 C33 109.3(4) . . ?
F9 C37 F7 101.7(7) . . ?
F9 C37 C33 118.8(7) . . ?
F9 C37 F8 111.6(5) . . ?
F8 C37 F7 97.8(5) . . ?
F8 C37 C33 114.6(4) . . ?
F7A C37 C33 117.1(7) . . ?
F7A C37 F9A 109.0(9) . . ?
F7A C37 F8A 115.6(6) . . ?
F9A C37 C33 105.6(6) . . ?
F8A C37 C33 108.5(5) . . ?
F8A C37 F9A 99.0(6) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
Rh1 C1 H1A 123.0 . . ?
Rh1 C1 H1B 126.8 . . ?
Rh1 C1 H1C 47.3 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 Rh1 62.3(4) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
Rh1 C3 H3 116.7 . . ?
C4 C3 Rh1 105.9(8) . . ?
C4 C3 H3 116.7 . . ?
C2 C3 Rh1 65.2(5) . . ?
C2 C3 C4 123.0(10) . . ?
C2 C3 H3 116.7 . . ?
Rh1 C2 H2 117.1 . . ?
C1 C2 Rh1 80.8(4) . . ?
C1 C2 H2 117.1 . . ?
C3 C2 Rh1 80.5(5) . . ?
C3 C2 C1 125.3(9) . . ?
C3 C2 H2 117.1 . . ?
Rh1 C2A H2A 118.0 . . ?
C3A C2A Rh1 77.3(4) . . ?
C3A C2A H2A 119.7 . . ?
C1A C2A Rh1 75.8(5) . . ?
C1A C2A H2A 119.7 . . ?
C1A C2A C3A 120.6(10) . . ?
Rh1 C3A H3AA 114.7 . . ?
Rh1 C3A H3AB 46.4 . . ?
C2A C3A Rh1 63.4(4) . . ?
C2A C3A H3AA 109.1 . . ?
C2A C3A H3AB 109.1 . . ?
C2A C3A C4A 112.6(10) . . ?
H3AA C3A H3AB 107.8 . . ?
C4A C3A Rh1 134.7(9) . . ?
C4A C3A H3AA 109.1 . . ?
C4A C3A H3AB 109.1 . . ?
Rh1 C1A H1AA 81.6 . . ?
Rh1 C1A H1AB 121.2 . . ?
C2A C1A Rh1 68.2(4) . . ?
C2A C1A H1AA 120.0 . . ?
C2A C1A H1AB 120.0 . . ?
H1AA C1A H1AB 120.0 . . ?
C3A C4A H4AA 109.5 . . ?
C3A C4A H4AB 109.5 . . ?
C3A C4A H4AC 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P2 C19 C20 -67.7(2) . . . . ?
Rh1 P2 C19 C22 48.9(3) . . . . ?
Rh1 P2 C19 C21 172.7(2) . . . . ?
Rh1 P2 C6 C5 28.9(2) . . . . ?
Rh1 P2 C15 C16 37.9(3) . . . . ?
Rh1 P2 C15 C17 156.8(2) . . . . ?
Rh1 P2 C15 C18 -79.8(3) . . . . ?
Rh1 P1 C5 C6 29.4(2) . . . . ?
Rh1 P1 C7 C10 -67.4(3) . . . . ?
Rh1 P1 C7 C9 48.3(3) . . . . ?
Rh1 P1 C7 C8 173.0(3) . . . . ?
Rh1 P1 C11 C14 41.0(3) . . . . ?
Rh1 P1 C11 C13 -77.4(3) . . . . ?
Rh1 P1 C11 C12 159.1(3) . . . . ?
Rh1 C1 C2 C3 -71.3(7) . . . . ?
Rh1 C3 C2 C1 71.4(7) . . . . ?
Rh1 C2A C3A C4A -130.0(9) . . . . ?
P1 C5 C6 P2 -37.5(3) . . . . ?
C31 C32 C33 C34 0.2(5) . . . . ?
C31 C32 C33 C37 -177.8(3) . . . . ?
C31 C36 C35 C34 -0.7(4) . . . . ?
C31 C36 C35 C38 176.0(3) . . . . ?
C47 C48 C49 C50 0.3(4) . . . . ?
C47 C48 C49 C53 -179.0(3) . . . . ?
C23 C28 C27 C26 1.7(4) . . . . ?
C23 C28 C27 C30 -178.1(3) . . . . ?
C23 C24 C25 C26 -0.2(4) . . . . ?
C23 C24 C25 C29 -179.1(3) . . . . ?
C40 C39 C44 C43 1.2(4) . . . . ?
C40 C39 B1 C31 -47.2(3) . . . . ?
C40 C39 B1 C47 73.0(3) . . . . ?
C40 C39 B1 C23 -164.0(2) . . . . ?
C40 C41 C45 F13 -29.7(5) . . . . ?
C40 C41 C45 F15 -149.0(4) . . . . ?
C40 C41 C45 F14 90.6(6) . . . . ?
C40 C41 C45 F13A -51.4(9) . . . . ?
C40 C41 C45 F15A -177.1(11) . . . . ?
C40 C41 C45 F14A 64.8(8) . . . . ?
C28 C23 C24 C25 2.9(4) . . . . ?
C28 C23 B1 C31 106.6(3) . . . . ?
C28 C23 B1 C47 -13.5(4) . . . . ?
C28 C23 B1 C39 -132.0(3) . . . . ?
C28 C27 C26 C25 1.2(4) . . . . ?
C28 C27 C30 F6 136.6(10) . . . . ?
C28 C27 C30 F5 -106.0(9) . . . . ?
C28 C27 C30 F4 8.7(9) . . . . ?
C28 C27 C30 F6A 53.2(10) . . . . ?
C28 C27 C30 F5A 165.5(7) . . . . ?
C28 C27 C30 F4A -71.1(10) . . . . ?
C39 C40 C41 C42 0.3(4) . . . . ?
C39 C40 C41 C45 -176.6(2) . . . . ?
C39 C44 C43 C42 -1.4(4) . . . . ?
C39 C44 C43 C46 175.0(3) . . . . ?
C44 C39 B1 C31 136.6(2) . . . . ?
C44 C39 B1 C47 -103.2(3) . . . . ?
C44 C39 B1 C23 19.9(3) . . . . ?
C44 C43 C46 F18 18.6(4) . . . . ?
C44 C43 C46 F16 138.8(3) . . . . ?
C44 C43 C46 F17 -101.4(4) . . . . ?
C44 C43 C46 F18A -73.2(11) . . . . ?
C44 C43 C46 F16A 39.2(12) . . . . ?
C44 C43 C46 F17A 173.6(14) . . . . ?
C24 C23 C28 C27 -3.7(4) . . . . ?
C24 C23 B1 C31 -70.6(3) . . . . ?
C24 C23 B1 C47 169.3(2) . . . . ?
C24 C23 B1 C39 50.8(3) . . . . ?
C24 C25 C29 F2 -50.1(6) . . . . ?
C24 C25 C29 F1 -165.8(6) . . . . ?
C24 C25 C29 F3 66.2(7) . . . . ?
C24 C25 C29 F2A -141.4(5) . . . . ?
C24 C25 C29 F1A 104.8(6) . . . . ?
C24 C25 C29 F3A -17.4(8) . . . . ?
C48 C47 C52 C51 -3.9(4) . . . . ?
C48 C47 B1 C31 26.9(3) . . . . ?
C48 C47 B1 C23 144.1(2) . . . . ?
C48 C47 B1 C39 -95.0(3) . . . . ?
C48 C49 C50 C51 -1.7(4) . . . . ?
C48 C49 C53 F19 -37.1(4) . . . . ?
C48 C49 C53 F20 -157.6(3) . . . . ?
C48 C49 C53 F21 82.5(3) . . . . ?
C27 C26 C25 C24 -1.9(4) . . . . ?
C27 C26 C25 C29 176.9(3) . . . . ?
C42 C43 C46 F18 -164.9(3) . . . . ?
C42 C43 C46 F16 -44.7(4) . . . . ?
C42 C43 C46 F17 75.1(4) . . . . ?
C42 C43 C46 F18A 103.3(11) . . . . ?
C42 C43 C46 F16A -144.3(11) . . . . ?
C42 C43 C46 F17A -9.9(15) . . . . ?
C42 C41 C45 F13 153.3(5) . . . . ?
C42 C41 C45 F15 34.0(5) . . . . ?
C42 C41 C45 F14 -86.4(6) . . . . ?
C42 C41 C45 F13A 131.6(8) . . . . ?
C42 C41 C45 F15A 5.9(11) . . . . ?
C42 C41 C45 F14A -112.2(8) . . . . ?
C32 C31 C36 C35 2.0(4) . . . . ?
C32 C31 B1 C47 -139.3(2) . . . . ?
C32 C31 B1 C23 98.3(3) . . . . ?
C32 C31 B1 C39 -21.5(3) . . . . ?
C32 C33 C37 F7 42.9(6) . . . . ?
C32 C33 C37 F9 -73.0(8) . . . . ?
C32 C33 C37 F8 151.5(6) . . . . ?
C32 C33 C37 F7A 61.2(8) . . . . ?
C32 C33 C37 F9A -60.4(7) . . . . ?
C32 C33 C37 F8A -165.7(6) . . . . ?
C36 C31 C32 C33 -1.7(4) . . . . ?
C36 C31 B1 C47 44.2(3) . . . . ?
C36 C31 B1 C23 -78.2(3) . . . . ?
C36 C31 B1 C39 162.0(2) . . . . ?
C36 C35 C38 F12 21.7(5) . . . . ?
C36 C35 C38 F11 -98.6(4) . . . . ?
C36 C35 C38 F10 140.5(3) . . . . ?
C36 C35 C38 F12A 73.6(10) . . . . ?
C36 C35 C38 F11A -40.8(10) . . . . ?
C36 C35 C38 F10A -161.8(10) . . . . ?
C43 C42 C41 C40 -0.5(4) . . . . ?
C43 C42 C41 C45 176.5(2) . . . . ?
C26 C27 C30 F6 -43.2(11) . . . . ?
C26 C27 C30 F5 74.2(10) . . . . ?
C26 C27 C30 F4 -171.1(9) . . . . ?
C26 C27 C30 F6A -126.6(10) . . . . ?
C26 C27 C30 F5A -14.3(8) . . . . ?
C26 C27 C30 F4A 109.1(9) . . . . ?
C26 C25 C29 F2 131.0(5) . . . . ?
C26 C25 C29 F1 15.3(7) . . . . ?
C26 C25 C29 F3 -112.7(7) . . . . ?
C26 C25 C29 F2A 39.7(6) . . . . ?
C26 C25 C29 F1A -74.1(6) . . . . ?
C26 C25 C29 F3A 163.7(7) . . . . ?
C52 C47 C48 C49 2.5(4) . . . . ?
C52 C47 B1 C31 -156.5(2) . . . . ?
C52 C47 B1 C23 -39.3(3) . . . . ?
C52 C47 B1 C39 81.6(3) . . . . ?
C52 C51 C50 C49 0.2(4) . . . . ?
C52 C51 C54 F22 -177.2(3) . . . . ?
C52 C51 C54 F24 -56.7(4) . . . . ?
C52 C51 C54 F23 65.2(4) . . . . ?
C52 C51 C54 F22A -95.1(11) . . . . ?
C52 C51 C54 F24A 14.7(11) . . . . ?
C52 C51 C54 F23A 145.5(11) . . . . ?
C41 C40 C39 C44 -0.7(4) . . . . ?
C41 C40 C39 B1 -177.2(2) . . . . ?
C41 C42 C43 C44 1.0(4) . . . . ?
C41 C42 C43 C46 -175.5(2) . . . . ?
C34 C35 C38 F12 -161.5(3) . . . . ?
C34 C35 C38 F11 78.2(4) . . . . ?
C34 C35 C38 F10 -42.7(4) . . . . ?
C34 C35 C38 F12A -109.6(10) . . . . ?
C34 C35 C38 F11A 136.0(10) . . . . ?
C34 C35 C38 F10A 15.0(11) . . . . ?
C34 C33 C37 F7 -135.1(5) . . . . ?
C34 C33 C37 F9 109.0(7) . . . . ?
C34 C33 C37 F8 -26.5(7) . . . . ?
C34 C33 C37 F7A -116.8(7) . . . . ?
C34 C33 C37 F9A 121.6(7) . . . . ?
C34 C33 C37 F8A 16.3(7) . . . . ?
C50 C49 C53 F19 143.6(3) . . . . ?
C50 C49 C53 F20 23.0(4) . . . . ?
C50 C49 C53 F21 -96.9(3) . . . . ?
C50 C51 C52 C47 2.7(4) . . . . ?
C50 C51 C54 F22 5.6(4) . . . . ?
C50 C51 C54 F24 126.1(4) . . . . ?
C50 C51 C54 F23 -112.0(4) . . . . ?
C50 C51 C54 F22A 87.7(11) . . . . ?
C50 C51 C54 F24A -162.5(11) . . . . ?
C50 C51 C54 F23A -31.7(12) . . . . ?
C35 C34 C33 C32 1.1(4) . . . . ?
C35 C34 C33 C37 179.1(3) . . . . ?
C33 C34 C35 C36 -0.9(4) . . . . ?
C33 C34 C35 C38 -177.7(3) . . . . ?
C5 P1 C7 C10 51.6(3) . . . . ?
C5 P1 C7 C9 167.4(3) . . . . ?
C5 P1 C7 C8 -67.9(3) . . . . ?
C5 P1 C11 C14 -76.0(3) . . . . ?
C5 P1 C11 C13 165.6(3) . . . . ?
C5 P1 C11 C12 42.0(3) . . . . ?
C19 P2 C6 C5 -94.1(2) . . . . ?
C19 P2 C15 C16 167.1(2) . . . . ?
C19 P2 C15 C17 -74.0(3) . . . . ?
C19 P2 C15 C18 49.4(3) . . . . ?
C53 C49 C50 C51 177.6(3) . . . . ?
C54 C51 C52 C47 -174.4(3) . . . . ?
C54 C51 C50 C49 177.4(3) . . . . ?
C6 P2 C19 C20 52.1(3) . . . . ?
C6 P2 C19 C22 168.8(2) . . . . ?
C6 P2 C19 C21 -67.4(3) . . . . ?
C6 P2 C15 C16 -79.5(2) . . . . ?
C6 P2 C15 C17 39.4(3) . . . . ?
C6 P2 C15 C18 162.8(3) . . . . ?
C30 C27 C26 C25 -179.0(3) . . . . ?
C7 P1 C5 C6 -93.5(2) . . . . ?
C7 P1 C11 C14 171.8(2) . . . . ?
C7 P1 C11 C13 53.4(3) . . . . ?
C7 P1 C11 C12 -70.2(3) . . . . ?
B1 C31 C32 C33 -178.4(3) . . . . ?
B1 C31 C36 C35 178.7(2) . . . . ?
B1 C47 C48 C49 179.3(2) . . . . ?
B1 C47 C52 C51 179.2(2) . . . . ?
B1 C23 C28 C27 179.0(2) . . . . ?
B1 C23 C24 C25 -179.6(3) . . . . ?
B1 C39 C44 C43 177.6(2) . . . . ?
C15 P2 C19 C20 162.9(2) . . . . ?
C15 P2 C19 C22 -80.5(3) . . . . ?
C15 P2 C19 C21 43.4(3) . . . . ?
C15 P2 C6 C5 150.0(2) . . . . ?
C11 P1 C5 C6 151.4(2) . . . . ?
C11 P1 C7 C10 161.3(2) . . . . ?
C11 P1 C7 C9 -82.9(3) . . . . ?
C11 P1 C7 C8 41.8(4) . . . . ?
C4 C3 C2 Rh1 -93.3(10) . . . . ?
C4 C3 C2 C1 -21.9(14) . . . . ?
C3A C2A C1A Rh1 65.6(6) . . . . ?
C1A C2A C3A Rh1 -64.9(6) . . . . ?
C1A C2A C3A C4A 165.1(10) . . . . ?
_shelx_res_file
;
TITL 251amm18.res in P2(1)/c
251amm18.res
created by SHELXL-2018/1 at 13:28:33 on 16-Jan-2019
CELL 1.54184 13.8945 17.8193 23.5243 90 96.457 90
ZERR 4 0.0002 0.0002 0.0004 0 0.001 0
LATT 1
SYMM -X,0.5+Y,0.5-Z
SFAC C H B F P Rh
UNIT 216 240 4 96 8 4
SADI 0.04 F14A F15A F14A F13A F14 F15 F14 F13 F15A F13A F15 F13
SADI C45 F14A C45 F14 C45 F15A C45 F15 C45 F13 C45 F13A
SADI 0.04 F17 F18 F17 F16 F17A F18A F17A F16A F18 F16 F18A F16A
SADI C46 F17 C46 F17A C46 F18 C46 F18A C46 F16 C46 F16A
SADI 0.04 F5 F4 F5 F6 F5A F4A F5A F6A F4 F6 F4A F6A
SADI C30 F5 C30 F5A C30 F4 C30 F4A C30 F6 C30 F6A
SADI 0.04 F3A F2A F3A F1A F3 F2 F3 F1 F2 F1 F2A F1A
SADI C29 F3A C29 F3 C29 F2 C29 F2A C29 F1A C29 F1
SADI 0.04 F24A F23A F24A F22A F24 F23 F24 F22 F23A F22A F23 F22
SADI C54 F24A C54 F24 C54 F23A C54 F23 C54 F22 C54 F22A
SADI 0.04 F8A F9A F8A F7A F8 F9 F8 F7 F9 F7 F9A F7A
SADI C37 F8A C37 F8 C37 F9 C37 F9A C37 F7A C37 F7
SADI 0.04 F11 F12 F11 F10 F11A F12A F11A F10A F12 F10 F12A F10A
SADI C38 F11 C38 F11A C38 F12 C38 F12A C38 F10 C38 F10A
SIMU 0.01 0.01 2 F13 F15 F14 C45 F13A F15A F14A
SIMU 0.01 0.01 2 F18 F16 F17 C46 F18A F16A F17A
SIMU F6 F5 C30 F4 F6A F5A F4A
SIMU 0.01 0.01 2 F2 F1 F3 C29 F2A F1A F3A
SIMU 0.01 0.01 2 F22 F24 F23 C54 F22A F24A F23A
SIMU 0.01 0.01 2 F7 F9 F8 C37 F7A F9A F8A
SIMU 0.01 0.01 2 F12 F11 F10 C38 F12A F11A F10A
RIGU F13 F15 F14 C45 F13A F15A F14A
RIGU F18 F16 F17 C46 F18A F16A F17A
RIGU F6 F5 C30 F4 F6A F5A F4A
RIGU F2 F1 F3 C29 F2A F1A F3A
RIGU F22 F24 F23 C54 F22A F24A F23A
RIGU F7 F9 F8 C37 F7A F9A F8A
RIGU F12 F11 F10 C38 F12A F11A F10A
SUMP 1 0.0001 1 2 1 3
L.S. 40 0 0
PLAN 60
SIZE 0.18 0.16 0.06
TEMP -123
BOND $H
conf
list 4
fmap 2 53
acta
REM
REM
REM
WGHT 0.056500 2.495300
FVAR 0.20784 0.48692 0.51308 0.71699 0.85850 0.44281 0.48072
FVAR 0.86101 0.57609 0.84043
RH1 6 1.277415 0.413084 0.815583 11.00000 0.03174 0.02973 =
0.04772 0.00452 0.00871 -0.00479
P2 5 1.196328 0.302975 0.805428 11.00000 0.03610 0.02476 =
0.03660 0.00260 0.00248 -0.00223
P1 5 1.181194 0.443220 0.883756 11.00000 0.03750 0.02755 =
0.04296 0.00009 0.00595 -0.00012
F19 4 0.500077 0.169826 0.680792 11.00000 0.05825 0.06765 =
0.04481 0.00843 0.00900 -0.01493
PART 1
F18 4 0.735857 0.583531 0.449849 51.00000 0.04069 0.05840 =
0.05061 0.01237 0.01069 0.00624
F16 4 0.595882 0.635981 0.439251 51.00000 0.04611 0.05671 =
0.06291 0.02593 0.00198 0.00969
PART 0
F20 4 0.444431 0.103619 0.608689 11.00000 0.09229 0.05961 =
0.06502 -0.00352 0.02138 -0.04102
PART 1
F13 4 0.391920 0.497542 0.639742 41.00000 0.03736 0.06437 =
0.07650 0.01149 0.02080 0.00716
F15 4 0.364451 0.589277 0.581129 41.00000 0.03451 0.06419 =
0.06334 -0.00074 0.00493 0.01717
PART 0
F21 4 0.382901 0.210590 0.622575 11.00000 0.03945 0.10253 =
0.09814 0.03641 0.02850 0.00897
PART 1
F17 4 0.707564 0.677092 0.502188 51.00000 0.09236 0.04452 =
0.07190 -0.00191 0.02160 -0.02660
F14 4 0.453584 0.605453 0.660523 41.00000 0.05041 0.07784 =
0.06932 -0.03546 0.01094 0.01181
F22 4 0.563501 0.135454 0.428158 81.00000 0.08839 0.07490 =
0.05243 -0.02653 0.01132 -0.03290
F24 4 0.609330 0.243183 0.404896 81.00000 0.12666 0.06585 =
0.03862 0.00448 0.01049 -0.01132
F7 4 0.654110 0.534512 0.789673 91.00000 0.11596 0.05517 =
0.04094 -0.01007 0.02911 0.01552
F9 4 0.804752 0.544723 0.814643 91.00000 0.12727 0.05413 =
0.06769 -0.02329 -0.02006 -0.02463
F23 4 0.711806 0.164818 0.444164 81.00000 0.06529 0.11958 =
0.05533 -0.03629 0.00944 0.02348
F12 4 0.831988 0.170771 0.756509 101.00000 0.12239 0.05645 =
0.06671 0.01559 0.03000 0.04241
F2 4 0.987732 0.584385 0.586132 71.00000 0.06676 0.03441 =
0.08491 0.00145 0.00318 -0.00975
PART 0
C31 1 0.738524 0.372512 0.679662 11.00000 0.02555 0.03300 =
0.03377 -0.00132 0.00475 -0.00182
PART 1
F1 4 1.118692 0.530726 0.576800 71.00000 0.04570 0.06590 =
0.11987 -0.00993 0.02405 -0.01733
PART 0
C47 1 0.659215 0.307341 0.582248 11.00000 0.02529 0.02606 =
0.03629 0.00087 0.00126 0.00326
C23 1 0.833820 0.381590 0.590685 11.00000 0.02794 0.03097 =
0.03047 0.00078 0.00119 0.00313
C40 1 0.577446 0.474600 0.609477 11.00000 0.03099 0.03155 =
0.03528 -0.00347 0.00448 -0.00092
AFIX 43
H40 2 0.556339 0.444942 0.639263 11.00000 -1.20000
AFIX 0
C28 1 0.879382 0.322985 0.564755 11.00000 0.03045 0.03261 =
0.03583 -0.00146 0.00400 0.00315
AFIX 43
H28 2 0.845701 0.276958 0.557563 11.00000 -1.20000
AFIX 0
C39 1 0.663000 0.454644 0.587056 11.00000 0.02721 0.02581 =
0.03525 -0.00557 0.00117 -0.00145
C44 1 0.688718 0.500473 0.542944 11.00000 0.02621 0.02931 =
0.03719 -0.00378 0.00140 -0.00009
AFIX 43
H44 2 0.745542 0.488741 0.525750 11.00000 -1.20000
AFIX 0
PART 1
F11 4 0.722098 0.189550 0.809526 101.00000 0.08009 0.05329 =
0.11983 0.03638 0.04423 0.00455
PART 0
C24 1 0.890352 0.446245 0.603016 11.00000 0.02943 0.03224 =
0.03804 -0.00252 0.00152 0.00295
AFIX 43
H24 2 0.863676 0.486787 0.622283 11.00000 -1.20000
AFIX 0
C48 1 0.593008 0.269905 0.612684 11.00000 0.02976 0.03163 =
0.03668 -0.00288 0.00507 0.00311
AFIX 43
H48 2 0.585816 0.286209 0.650423 11.00000 -1.20000
AFIX 0
C27 1 0.972751 0.329988 0.549116 11.00000 0.03215 0.03878 =
0.03715 -0.00179 0.00570 0.00549
PART 1
F6 4 1.060587 0.281238 0.477419 61.00000 0.13775 0.06681 =
0.07006 -0.00524 0.06706 0.01185
PART 0
C42 1 0.549794 0.580971 0.546158 11.00000 0.03126 0.02788 =
0.04290 -0.00426 -0.00306 0.00211
AFIX 43
H42 2 0.511878 0.622923 0.532423 11.00000 -1.20000
AFIX 0
C32 1 0.733297 0.433480 0.716286 11.00000 0.04474 0.03013 =
0.03365 -0.00128 0.00378 -0.00591
AFIX 43
H32 2 0.718637 0.481677 0.700348 11.00000 -1.20000
AFIX 0
C49 1 0.537274 0.209974 0.590277 11.00000 0.02794 0.03188 =
0.03998 0.00249 0.00347 -0.00044
C36 1 0.763137 0.303735 0.706427 11.00000 0.03091 0.03488 =
0.03678 -0.00198 0.00475 0.00278
AFIX 43
H36 2 0.769620 0.260798 0.683224 11.00000 -1.20000
AFIX 0
C43 1 0.634004 0.562815 0.523235 11.00000 0.03293 0.02814 =
0.03826 -0.00155 -0.00121 -0.00325
C26 1 1.025698 0.394774 0.559901 11.00000 0.02805 0.04733 =
0.04329 0.00390 0.00874 0.00182
AFIX 43
H26 2 1.088852 0.399570 0.548481 11.00000 -1.20000
AFIX 0
C51 1 0.608791 0.220768 0.503786 11.00000 0.03325 0.03297 =
0.03553 -0.00028 0.00042 0.00271
C52 1 0.662981 0.281957 0.525855 11.00000 0.02991 0.03066 =
0.03349 0.00118 0.00244 0.00280
AFIX 43
H52 2 0.703627 0.307293 0.502221 11.00000 -1.20000
AFIX 0
C41 1 0.522130 0.536439 0.589650 11.00000 0.02742 0.03456 =
0.04173 -0.00587 0.00293 0.00234
C34 1 0.770794 0.357117 0.801009 11.00000 0.04175 0.04446 =
0.03513 0.00157 0.00508 -0.00893
AFIX 43
H34 2 0.780283 0.351945 0.841445 11.00000 -1.20000
AFIX 0
C50 1 0.545492 0.183795 0.535393 11.00000 0.03389 0.03146 =
0.04072 -0.00072 -0.00147 -0.00107
AFIX 43
H50 2 0.508870 0.141948 0.520150 11.00000 -1.20000
AFIX 0
PART 1
F10 4 0.865312 0.223426 0.837136 101.00000 0.10546 0.07685 =
0.08605 0.02876 -0.03723 0.00937
PART 0
C35 1 0.778443 0.295862 0.765604 11.00000 0.02953 0.03981 =
0.04049 0.00720 0.00579 0.00034
C25 1 0.984061 0.452910 0.587969 11.00000 0.03197 0.03565 =
0.04686 0.00484 0.00352 -0.00281
C33 1 0.748988 0.425892 0.775864 11.00000 0.05631 0.03625 =
0.03619 -0.00480 0.00621 -0.01249
C5 1 1.084508 0.371828 0.882619 11.00000 0.03721 0.03977 =
0.04634 0.00261 0.01153 -0.00327
AFIX 23
H5A 2 1.064377 0.366908 0.921501 11.00000 -1.20000
H5B 2 1.027583 0.388777 0.856701 11.00000 -1.20000
AFIX 0
PART 1
F3 4 1.061954 0.531288 0.657620 71.00000 0.11564 0.07195 =
0.07250 -0.00415 -0.02084 -0.04524
PART 0
C19 1 1.116207 0.294318 0.735794 11.00000 0.04696 0.04443 =
0.04347 -0.00296 -0.00653 -0.00432
C46 1 0.668175 0.614101 0.479205 11.00000 0.03847 0.03726 =
0.05487 0.00669 0.00484 -0.00068
C53 1 0.466958 0.173657 0.625153 11.00000 0.03917 0.04787 =
0.04713 0.00541 0.00322 -0.00955
C54 1 0.623183 0.192403 0.445347 11.00000 0.05684 0.05129 =
0.03479 -0.00877 0.00333 -0.00602
C45 1 0.434363 0.557230 0.617672 11.00000 0.03610 0.04631 =
0.05477 -0.00642 0.00843 0.00745
C6 1 1.117179 0.295114 0.862712 11.00000 0.04349 0.03532 =
0.04412 0.00322 0.00581 -0.00985
AFIX 23
H6A 2 1.059423 0.265008 0.848776 11.00000 -1.20000
H6B 2 1.152230 0.268324 0.895636 11.00000 -1.20000
AFIX 0
PART 1
F5 4 1.083353 0.229810 0.555785 61.00000 0.11606 0.10583 =
0.07965 -0.03271 -0.01908 0.07511
PART 0
C20 1 1.034014 0.351031 0.737195 11.00000 0.04432 0.05882 =
0.05466 0.00290 -0.01242 -0.00137
AFIX 137
H20A 2 0.997335 0.339547 0.769348 11.00000 -1.50000
H20B 2 0.990887 0.348192 0.701313 11.00000 -1.50000
H20C 2 1.061108 0.401726 0.741825 11.00000 -1.50000
AFIX 0
C30 1 1.015471 0.265335 0.519782 11.00000 0.04119 0.04994 =
0.06151 -0.01291 0.01826 0.00420
C38 1 0.798323 0.220288 0.792191 11.00000 0.06042 0.04637 =
0.05049 0.01289 0.01281 0.01290
C7 1 1.244614 0.442835 0.958507 11.00000 0.06187 0.04623 =
0.04117 -0.00711 -0.00087 -0.00509
B1 3 0.723495 0.378859 0.609680 11.00000 0.02915 0.02525 =
0.03202 -0.00272 0.00412 0.00004
PART 1
F8 4 0.711328 0.478315 0.864383 91.00000 0.15743 0.04916 =
0.04107 -0.00653 0.02445 0.01003
PART 0
C29 1 1.041001 0.522628 0.603073 11.00000 0.04294 0.04145 =
0.07333 -0.00119 0.00736 -0.00917
C10 1 1.272168 0.361392 0.973825 11.00000 0.06121 0.05486 =
0.04000 0.00899 -0.00642 -0.00156
AFIX 137
H10A 2 1.213233 0.331170 0.973785 11.00000 -1.50000
H10B 2 1.308862 0.359760 1.011902 11.00000 -1.50000
H10C 2 1.312018 0.341197 0.945577 11.00000 -1.50000
AFIX 0
C15 1 1.276808 0.217001 0.817484 11.00000 0.06309 0.02945 =
0.04673 0.00517 0.00555 0.00939
C11 1 1.109489 0.533117 0.870534 11.00000 0.06325 0.03272 =
0.06617 -0.00214 0.01082 0.01200
C22 1 1.173152 0.315880 0.685930 11.00000 0.06466 0.08237 =
0.03784 0.00429 -0.00047 0.01326
AFIX 137
H22A 2 1.196154 0.367707 0.690922 11.00000 -1.50000
H22B 2 1.130937 0.311557 0.649795 11.00000 -1.50000
H22C 2 1.228705 0.282135 0.685251 11.00000 -1.50000
AFIX 0
PART 1
F4 4 0.954896 0.209186 0.504019 61.00000 0.05852 0.05978 =
0.12618 -0.04591 0.04087 -0.00716
PART 0
C16 1 1.355250 0.236239 0.867049 11.00000 0.05846 0.04724 =
0.05380 0.00970 -0.00412 0.01958
AFIX 137
H16A 2 1.382810 0.285646 0.860324 11.00000 -1.50000
H16B 2 1.406553 0.198269 0.869182 11.00000 -1.50000
H16C 2 1.326225 0.237025 0.903134 11.00000 -1.50000
AFIX 0
C14 1 1.072429 0.534587 0.806375 11.00000 0.06627 0.03945 =
0.06989 0.00986 0.00427 0.02156
AFIX 137
H14A 2 1.126957 0.527381 0.783890 11.00000 -1.50000
H14B 2 1.041618 0.583082 0.796640 11.00000 -1.50000
H14C 2 1.025116 0.494235 0.797743 11.00000 -1.50000
AFIX 0
C17 1 1.222825 0.146905 0.834390 11.00000 0.09166 0.02745 =
0.07382 0.00655 0.01033 0.00466
AFIX 137
H17A 2 1.192051 0.157341 0.869044 11.00000 -1.50000
H17B 2 1.268761 0.105361 0.841724 11.00000 -1.50000
H17C 2 1.173139 0.133184 0.803213 11.00000 -1.50000
AFIX 0
C18 1 1.327793 0.198763 0.764767 11.00000 0.07409 0.05010 =
0.05984 -0.00270 0.01542 0.02142
AFIX 137
H18A 2 1.279443 0.185112 0.732862 11.00000 -1.50000
H18B 2 1.372456 0.156691 0.773457 11.00000 -1.50000
H18C 2 1.364123 0.242809 0.754232 11.00000 -1.50000
AFIX 0
C37 1 0.738507 0.493325 0.812153 11.00000 0.12801 0.04186 =
0.03986 -0.00642 0.00807 -0.01542
C9 1 1.339752 0.487185 0.960291 11.00000 0.07743 0.05736 =
0.08163 -0.00636 -0.02294 -0.02212
AFIX 137
H9A 2 1.381947 0.463454 0.934826 11.00000 -1.50000
H9B 2 1.372285 0.487532 0.999477 11.00000 -1.50000
H9C 2 1.325697 0.538852 0.947709 11.00000 -1.50000
AFIX 0
C13 1 1.172823 0.602855 0.884521 11.00000 0.10731 0.03111 =
0.08537 -0.00528 0.00191 0.00812
AFIX 137
H13A 2 1.193025 0.604757 0.925773 11.00000 -1.50000
H13B 2 1.135614 0.648071 0.872806 11.00000 -1.50000
H13C 2 1.230218 0.600206 0.863904 11.00000 -1.50000
AFIX 0
C21 1 1.071894 0.216037 0.726255 11.00000 0.07546 0.05675 =
0.07517 -0.01991 -0.01519 -0.01537
AFIX 137
H21A 2 1.122759 0.180131 0.719408 11.00000 -1.50000
H21B 2 1.022599 0.217067 0.693016 11.00000 -1.50000
H21C 2 1.041960 0.200806 0.760235 11.00000 -1.50000
AFIX 0
C12 1 1.020373 0.537405 0.903881 11.00000 0.07736 0.07052 =
0.08876 -0.00397 0.02457 0.03631
AFIX 137
H12A 2 0.981289 0.491890 0.896741 11.00000 -1.50000
H12B 2 0.981394 0.581402 0.891221 11.00000 -1.50000
H12C 2 1.041743 0.541652 0.944897 11.00000 -1.50000
AFIX 0
C8 1 1.183494 0.472146 1.003928 11.00000 0.11242 0.08817 =
0.05155 -0.01961 0.01247 0.01953
AFIX 137
H8A 2 1.171354 0.525898 0.997934 11.00000 -1.50000
H8B 2 1.218317 0.464131 1.042030 11.00000 -1.50000
H8C 2 1.121652 0.445190 1.000919 11.00000 -1.50000
AFIX 0
PART 1
C4 1 1.479659 0.378956 0.778292 21.00000 0.01562 0.08799 =
0.10832 0.01969 0.01954 -0.00376
AFIX 137
H4A 2 1.491075 0.418383 0.807311 21.00000 -1.50000
H4B 2 1.529315 0.381841 0.751902 21.00000 -1.50000
H4C 2 1.482717 0.329739 0.796998 21.00000 -1.50000
AFIX 0
C1 1 1.358687 0.520559 0.780176 21.00000 0.07353 0.06304 =
0.07625 0.01438 0.02952 -0.03029
AFIX 137
H1A 2 1.324070 0.564888 0.763905 21.00000 -1.50000
H1B 2 1.428454 0.530681 0.785100 21.00000 -1.50000
H1C 2 1.336972 0.508871 0.817394 21.00000 -1.50000
AFIX 0
C3 1 1.383715 0.389287 0.746373 21.00000 0.04224 0.06604 =
0.04838 0.00470 0.00458 -0.01286
AFIX 13
H3 2 1.362647 0.350710 0.716685 21.00000 -1.20000
AFIX 0
C2 1 1.338477 0.456234 0.741258 21.00000 0.05636 0.05828 =
0.04969 0.01367 0.01826 -0.01363
AFIX 13
H2 2 1.292804 0.464848 0.705883 21.00000 -1.20000
AFIX 0
PART 0
PART 2
C2A 1 1.417162 0.465580 0.816144 31.00000 0.04250 0.07380 =
0.09506 0.01376 0.01868 -0.02908
AFIX 43
H2A 2 1.462957 0.458587 0.848858 31.00000 -1.20000
AFIX 0
C3A 1 1.415067 0.411067 0.766042 31.00000 0.04154 0.08845 =
0.06852 0.00769 0.02356 -0.01791
AFIX 23
H3AA 2 1.408521 0.439870 0.729827 31.00000 -1.20000
H3AB 2 1.357604 0.378172 0.765806 31.00000 -1.20000
AFIX 0
C1A 1 1.353962 0.524225 0.814425 31.00000 0.06553 0.03733 =
0.12778 0.02384 0.02790 -0.01756
AFIX 93
H1AA 2 1.308035 0.531450 0.781805 31.00000 -1.20000
H1AB 2 1.355827 0.557885 0.845847 31.00000 -1.20000
AFIX 0
C4A 1 1.506805 0.361974 0.768858 31.00000 0.02041 0.15080 =
0.09935 0.00221 0.01223 0.00667
AFIX 137
H4AA 2 1.515653 0.335401 0.805548 31.00000 -1.50000
H4AB 2 1.563270 0.393869 0.765289 31.00000 -1.50000
H4AC 2 1.499825 0.325437 0.737529 31.00000 -1.50000
AFIX 0
F13A 4 0.374344 0.501433 0.622174 -41.00000 0.02902 0.06479 =
0.06378 -0.01197 0.01019 -0.00465
F15A 4 0.385946 0.614123 0.593840 -41.00000 0.05576 0.06457 =
0.07501 0.00108 0.01509 0.02610
F14A 4 0.464537 0.578120 0.672845 -41.00000 0.04242 0.05985 =
0.06290 -0.01819 0.01795 0.00219
F18A 4 0.743973 0.653470 0.509450 -51.00000 0.05827 0.04528 =
0.06528 0.00974 0.00949 -0.01185
F16A 4 0.708239 0.576965 0.440077 -51.00000 0.04872 0.05470 =
0.05135 0.01086 0.00699 0.00109
F17A 4 0.607277 0.665201 0.460565 -51.00000 0.05969 0.04511 =
0.07028 0.02201 0.00889 0.00374
F6A 4 0.955414 0.244138 0.474081 -61.00000 0.06676 0.13669 =
0.11696 -0.08961 -0.00343 0.02268
F5A 4 1.092911 0.285152 0.496159 -61.00000 0.06311 0.07683 =
0.13805 -0.03395 0.06655 -0.00012
F4A 4 1.036879 0.210198 0.551588 -61.00000 0.19626 0.04063 =
0.11542 0.02017 0.07719 0.05357
F2A 4 1.094037 0.543054 0.561066 -71.00000 0.07006 0.06835 =
0.08377 0.02321 0.00680 -0.02770
F1A 4 1.110018 0.510885 0.647923 -71.00000 0.06965 0.06295 =
0.08757 0.00282 -0.03073 -0.02504
F3A 4 0.991633 0.580727 0.616092 -71.00000 0.05522 0.05607 =
0.14364 -0.03224 0.01585 -0.00898
F22A 4 0.555996 0.224268 0.407943 -81.00000 0.09306 0.08073 =
0.04503 -0.00046 -0.00675 -0.00281
F24A 4 0.704222 0.219194 0.426104 -81.00000 0.07809 0.07884 =
0.03644 -0.02964 0.02182 -0.00902
F23A 4 0.615167 0.121503 0.437906 -81.00000 0.08381 0.06560 =
0.04808 -0.02155 0.01300 -0.00175
F7A 4 0.656750 0.524309 0.808063 -91.00000 0.12761 0.06258 =
0.05857 -0.02865 0.04717 -0.00937
F9A 4 0.806397 0.544545 0.796895 -91.00000 0.11829 0.03850 =
0.04049 -0.01023 -0.01234 -0.02404
F8A 4 0.779387 0.477554 0.867288 -91.00000 0.16492 0.05195 =
0.03780 -0.01312 0.00351 -0.01515
F12A 4 0.885033 0.198965 0.785498 -101.00000 0.07405 0.05310 =
0.08174 0.01277 0.01350 0.02530
F11A 4 0.743477 0.166800 0.765885 -101.00000 0.09618 0.04854 =
0.08911 0.01680 0.00340 0.00211
F10A 4 0.785435 0.214044 0.846327 -101.00000 0.10011 0.05229 =
0.06751 0.02365 0.01933 0.01680
HKLF 4
REM 251amm18.res in P2(1)/c
REM R1 = 0.0410 for 9711 Fo > 4sig(Fo) and 0.0550 for all 12140 data
REM 988 parameters refined using 961 restraints
END
WGHT 0.0559 2.5340
REM Highest difference peak 0.738, deepest hole -1.021, 1-sigma level 0.062
Q1 1 1.0061 0.5592 0.6590 11.00000 0.05 0.74
Q2 1 1.1425 0.5038 0.6179 11.00000 0.05 0.50
Q3 1 1.3124 0.4326 0.8391 11.00000 0.05 0.46
Q4 1 0.6746 0.1249 0.4427 11.00000 0.05 0.40
Q5 1 0.6711 0.2429 0.4133 11.00000 0.05 0.40
Q6 1 0.5377 0.1805 0.4158 11.00000 0.05 0.38
Q7 1 0.8443 0.4779 0.8623 11.00000 0.05 0.38
Q8 1 1.0341 0.5698 0.5681 11.00000 0.05 0.34
Q9 1 0.4302 0.6412 0.6182 11.00000 0.05 0.33
Q10 1 1.2474 0.3568 0.8616 11.00000 0.05 0.33
Q11 1 0.7424 0.2144 0.8382 11.00000 0.05 0.32
Q12 1 0.6972 0.4236 0.6011 11.00000 0.05 0.30
Q13 1 1.2117 0.4138 0.7781 11.00000 0.05 0.30
Q14 1 1.2347 0.4389 0.9218 11.00000 0.05 0.30
Q15 1 1.3390 0.3433 0.8596 11.00000 0.05 0.30
Q16 1 1.3230 0.3823 0.8337 11.00000 0.05 0.30
Q17 1 1.2336 0.4774 0.7606 11.00000 0.05 0.29
Q18 1 1.2827 0.4062 0.8827 11.00000 0.05 0.29
Q19 1 0.6605 0.4823 0.8420 11.00000 0.05 0.29
Q20 1 1.2196 0.3521 0.8189 11.00000 0.05 0.29
Q21 1 1.2024 0.3809 0.8381 11.00000 0.05 0.29
Q22 1 0.6195 0.2035 0.4780 11.00000 0.05 0.28
Q23 1 0.9940 0.3004 0.5394 11.00000 0.05 0.27
Q24 1 0.6891 0.3423 0.5958 11.00000 0.05 0.27
Q25 1 0.8195 0.2247 0.8470 11.00000 0.05 0.27
Q26 1 0.6441 0.5807 0.5049 11.00000 0.05 0.27
Q27 1 1.3360 0.4802 0.8605 11.00000 0.05 0.27
Q28 1 0.7927 0.2604 0.7807 11.00000 0.05 0.27
Q29 1 1.0945 0.5187 0.6605 11.00000 0.05 0.26
Q30 1 1.1320 0.4085 0.8825 11.00000 0.05 0.26
Q31 1 0.8940 0.2030 0.8225 11.00000 0.05 0.26
Q32 1 0.6368 0.5397 0.5231 11.00000 0.05 0.26
Q33 1 0.7833 0.1616 0.7546 11.00000 0.05 0.25
Q34 1 0.7257 0.2594 0.6806 11.00000 0.05 0.25
Q35 1 1.0078 0.4804 0.5939 11.00000 0.05 0.24
Q36 1 0.7181 0.1996 0.4366 11.00000 0.05 0.24
Q37 1 1.3029 0.3913 0.7537 11.00000 0.05 0.24
Q38 1 0.5764 0.2264 0.6035 11.00000 0.05 0.24
Q39 1 0.5472 0.5183 0.5982 11.00000 0.05 0.23
Q40 1 1.2268 0.3586 0.7612 11.00000 0.05 0.23
Q41 1 1.3432 0.3649 0.8068 11.00000 0.05 0.23
Q42 1 0.6922 0.1824 0.7789 11.00000 0.05 0.22
Q43 1 0.7706 0.4068 0.7871 11.00000 0.05 0.22
Q44 1 0.4359 0.5188 0.6630 11.00000 0.05 0.22
Q45 1 1.1575 0.1422 0.8127 11.00000 0.05 0.22
Q46 1 0.7777 0.3793 0.5957 11.00000 0.05 0.22
Q47 1 0.8706 0.2017 0.7619 11.00000 0.05 0.22
Q48 1 0.8841 0.2596 0.8426 11.00000 0.05 0.22
Q49 1 0.7146 0.5595 0.7817 11.00000 0.05 0.21
Q50 1 0.9399 0.4578 0.5973 11.00000 0.05 0.21
Q51 1 0.7306 0.3765 0.6570 11.00000 0.05 0.21
Q52 1 0.6363 0.6986 0.4854 11.00000 0.05 0.21
Q53 1 0.5084 0.1938 0.6041 11.00000 0.05 0.21
Q54 1 1.1963 0.5172 0.8038 11.00000 0.05 0.21
Q55 1 0.6475 0.2440 0.5154 11.00000 0.05 0.21
Q56 1 1.1595 0.4805 0.8772 11.00000 0.05 0.21
Q57 1 0.7583 0.2988 0.7431 11.00000 0.05 0.21
Q58 1 0.5390 0.1995 0.5617 11.00000 0.05 0.20
Q59 1 0.7460 0.6937 0.4371 11.00000 0.05 0.20
Q60 1 0.9879 0.1986 0.5379 11.00000 0.05 0.20
;
_shelx_res_checksum 42027
_shelx_hkl_file
;
0 0 2 70.42 3.17
0 0 -2 71.44 3.29
0 0 2 70.63 3.87
0 0 3 0.58 1.52
0 0 3 0.80 1.07
0 0 4 298.60 11.21
0 0 4 372.36 10.01
0 0 5 0.67 1.95
0 0 -6 14.48 4.45
0 0 6 13.88 3.26
0 0 7 -0.01 2.32
0 0 -7 -1.24 3.06
0 0 8 1137.36 24.97
0 0 8 1137.78 22.52
0 0 -8 1148.38 27.86
0 0 -8 1122.65 26.66
0 0 8 1092.80 30.28
0 0 9 1.51 2.60
0 0 -9 1.14 1.86
0 0 9 0.28 2.02
0 0 9 -0.77 1.19
0 0 -9 0.38 1.63
0 0 9 1.42 2.13
0 0 9 -1.31 3.57
0 0 10 1380.73 28.80
0 0 10 1463.17 32.34
0 0 10 1468.96 23.30
0 0 10 1451.76 33.06
0 0 10 1409.61 25.95
0 0 10 1509.05 39.88
0 0 10 1442.33 28.06
0 0 11 -0.77 1.69
0 0 11 1.35 2.44
0 0 11 -0.92 3.96
0 0 11 1.04 1.84
0 0 11 0.91 3.04
0 0 11 -0.73 1.98
0 0 12 91.29 8.18
0 0 12 94.74 8.03
0 0 12 92.60 9.50
0 0 12 94.85 6.42
0 0 12 103.11 9.86
0 0 13 1.25 2.31
0 0 13 -2.88 3.46
0 0 13 -2.46 3.69
0 0 13 0.36 3.24
0 0 14 875.43 31.59
0 0 14 878.03 28.62
0 0 14 891.84 26.23
0 0 14 887.62 30.64
0 0 15 0.02 3.28
0 0 15 -0.76 3.41
0 0 15 0.57 3.85
0 0 16 924.46 34.21
0 0 16 881.44 35.12
0 0 16 884.55 31.61
0 0 17 3.97 4.01
0 0 17 7.48 6.53
0 0 18 19.24 6.82
0 0 18 24.22 7.75
0 0 19 9.91 6.90
0 0 19 -3.92 5.11
0 0 20 0.56 3.84
0 0 20 6.83 5.68
0 0 21 -2.18 4.62
0 0 21 5.13 5.49
0 0 22 82.61 9.25
0 0 22 104.08 9.07
0 0 22 102.32 8.63
0 0 23 -0.63 2.51
0 0 23 -1.12 3.16
0 0 23 3.25 3.12
0 0 24 65.15 6.73
0 0 24 43.93 6.24
0 0 25 -1.16 2.79
0 0 25 -0.67 2.92
0 0 25 0.24 2.87
0 0 26 19.94 3.88
0 0 26 21.62 3.75
0 0 27 -3.31 2.10
0 0 27 -1.96 1.97
0 0 28 2.61 1.76
0 0 28 3.26 1.61
0 0 29 -1.49 1.03
0 -1 0 0.40 0.55
0 -1 -1 92.17 4.08
0 1 1 89.41 3.84
0 -1 -1 97.41 4.64
0 1 1 90.14 4.11
0 1 2 406.45 9.42
0 -1 -2 412.61 11.99
0 1 3 2531.35 37.35
0 -1 -3 2479.90 28.88
0 -1 -3 2559.07 37.20
0 -1 -3 2434.00 29.30
0 -1 -4 2376.47 33.10
0 1 4 2398.17 41.39
0 1 -4 2425.25 23.61
0 -1 -4 2444.35 31.36
0 1 -5 3339.04 33.13
0 -1 -5 3343.03 42.76
0 -1 5 3443.13 37.50
0 -1 -5 3321.58 44.22
0 1 5 3510.88 43.39
0 -1 -5 3476.18 55.78
0 -1 -5 3494.78 41.71
0 -1 -6 87.07 9.58
0 -1 -6 91.53 6.87
0 1 -6 87.78 5.40
0 1 6 89.87 7.14
0 -1 -6 83.09 6.98
0 -1 6 85.14 5.82
0 1 7 3.02 2.39
0 -1 -7 4.69 2.18
0 -1 7 7.19 2.02
0 -1 7 1.49 2.67
0 1 -7 3.10 1.81
0 -1 -7 5.10 2.30
0 1 8 45.14 5.27
0 1 8 41.92 4.69
0 -1 8 46.03 7.11
0 -1 8 45.45 4.42
0 1 8 49.76 6.25
0 1 -8 44.26 4.76
0 -1 -8 33.86 7.41
0 1 8 42.91 5.32
0 -1 -8 45.40 5.80
0 -1 8 44.76 5.47
0 1 9 84.76 6.79
0 -1 9 75.20 5.64
0 -1 9 92.48 6.70
0 -1 9 78.78 6.38
0 1 9 76.66 7.13
0 -1 9 85.12 9.64
0 1 9 86.09 5.31
0 1 9 84.08 6.24
0 1 9 91.75 7.83
0 -1 9 83.17 7.48
0 1 -9 85.52 6.85
0 -1 -9 89.82 8.37
0 -1 10 221.01 10.16
0 1 10 210.22 10.44
0 -1 10 189.10 10.15
0 1 10 199.94 11.01
0 -1 -10 223.09 15.60
0 1 -10 215.49 12.91
0 1 10 212.78 11.95
0 1 10 200.18 8.46
0 1 10 227.79 12.81
0 -1 10 208.24 10.69
0 -1 10 200.08 15.28
0 -1 10 215.84 12.43
0 -1 11 162.02 11.52
0 1 11 162.35 9.79
0 -1 11 152.59 9.81
0 1 11 180.81 12.12
0 1 11 159.33 7.99
0 1 11 151.43 10.76
0 -1 11 163.96 9.34
0 -1 11 154.58 9.87
0 1 11 164.67 10.70
0 -1 11 165.20 8.02
0 -1 12 32.33 3.82
0 -1 12 19.98 4.97
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-10 2 22 -2.53 2.18
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-10 -2 20 4.46 3.07
-10 2 20 7.10 3.00
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-10 -2 19 128.23 11.72
-10 -2 19 117.72 9.89
-10 2 19 129.75 10.36
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-10 -2 18 30.62 7.21
-10 -2 18 18.53 4.91
-10 2 18 17.90 4.56
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-10 -2 17 69.77 8.17
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-10 2 16 27.18 5.43
-10 -2 16 28.59 5.43
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-10 -2 15 34.22 6.21
-10 2 15 38.54 5.80
-10 -2 15 36.49 6.76
-10 -2 15 45.18 6.65
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10 2 -15 35.09 4.34
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10 -2 -11 138.56 9.79
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10 -2 -5 156.87 9.85
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10 -2 -4 157.82 9.72
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10 2 -3 653.99 19.04
10 -2 -3 650.20 19.64
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10 2 -2 160.13 9.13
10 -2 -2 159.00 9.51
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10 -2 2 21.03 3.41
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10 -2 4 -0.58 1.43
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10 -2 5 107.63 13.18
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10 2 6 9.20 5.13
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10 -2 11 125.57 13.25
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10 -2 11 91.49 9.56
10 2 11 90.18 11.73
10 -2 11 92.16 7.85
10 -2 11 95.44 9.90
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10 -2 12 -0.46 3.35
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10 -2 13 43.79 5.64
10 -2 13 46.79 6.67
10 2 13 43.04 8.58
10 2 13 56.56 8.29
10 -2 13 48.18 6.96
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10 2 14 29.29 5.81
10 2 14 32.31 7.25
10 2 14 44.47 7.81
10 -2 14 36.08 4.94
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10 -2 15 24.55 5.22
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10 -2 16 5.46 3.85
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10 2 16 -1.46 2.33
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-10 -3 25 -0.04 1.37
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-10 3 23 -0.11 1.88
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10 3 3 9.34 4.20
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10 4 1 55.84 11.22
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10 4 2 161.64 14.64
10 4 2 144.29 17.07
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10 4 4 65.60 9.85
10 4 4 57.63 11.53
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10 -5 -13 61.50 6.46
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10 -5 -6 9.11 2.69
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10 -11 7 309.08 15.82
10 11 7 317.19 19.30
10 -11 7 348.86 22.21
-10 11 -7 362.04 13.07
10 -11 7 312.74 20.05
10 11 7 305.89 12.75
10 -11 7 317.02 17.77
10 -11 8 -0.76 4.64
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10 -11 8 -1.22 2.18
10 -11 8 0.25 2.89
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10 -11 8 -1.55 5.64
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10 -11 8 -2.89 5.06
10 11 8 -1.55 2.35
10 -11 8 -0.24 3.60
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10 -11 9 30.35 5.48
10 -11 9 26.13 4.16
10 11 9 24.38 6.74
10 -11 9 37.31 8.02
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10 11 9 24.45 3.80
10 -11 10 4.02 4.67
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10 -11 10 0.12 2.72
10 -11 10 10.84 2.94
10 11 10 10.69 5.17
10 -11 10 1.93 4.40
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10 11 10 6.79 2.62
10 -11 11 16.57 5.49
-10 11 -11 16.02 3.38
10 -11 11 16.54 3.72
10 -11 11 19.42 3.71
10 11 11 14.58 4.58
10 -11 11 25.79 7.09
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10 11 11 16.20 3.24
10 -11 12 15.14 4.94
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10 -11 12 19.43 4.33
10 -11 12 17.45 2.92
10 11 12 15.82 5.17
10 -11 12 9.45 5.06
-10 11 -12 17.91 2.82
10 11 12 17.98 3.24
10 -11 13 30.45 5.73
-10 11 -13 20.75 3.51
10 -11 13 21.06 3.56
10 -11 13 22.99 4.45
10 11 13 20.80 5.43
10 -11 13 23.92 3.28
10 -11 13 18.24 5.65
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10 11 13 28.76 3.85
10 -11 14 0.84 2.93
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10 -11 14 0.87 2.05
10 -11 14 2.80 2.74
10 -11 14 1.25 1.45
10 -11 14 2.04 4.09
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10 11 14 7.09 2.63
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10 -11 15 51.33 3.89
10 -11 15 49.61 4.54
10 -11 15 48.82 5.22
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10 -11 16 1.12 1.64
10 -11 16 2.10 2.06
10 -11 16 -2.04 1.34
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10 -12 -8 8.99 5.32
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10 -12 -7 13.97 5.11
10 -12 -6 48.15 5.32
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10 -12 -5 34.47 7.48
10 -12 -5 34.81 4.52
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10 -12 -5 32.09 6.70
10 -12 -4 180.00 16.85
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10 -12 -4 188.67 15.75
10 -12 -3 28.03 7.95
10 -12 -3 34.26 4.59
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10 -12 -2 3.02 5.45
10 -12 -2 1.60 1.99
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10 -12 -2 5.86 5.04
10 -12 -1 28.80 7.24
10 -12 -1 25.49 4.35
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10 -12 -1 17.94 6.05
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10 -12 0 5.75 5.26
10 -12 0 1.84 2.02
10 -12 1 13.10 6.37
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10 -12 1 12.88 5.20
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10 -12 2 -1.38 4.50
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10 -12 3 39.51 8.18
10 -12 3 30.64 7.58
10 -12 3 32.22 6.08
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10 -12 4 163.49 11.25
10 -12 4 154.32 9.71
10 -12 4 154.69 15.53
10 -12 4 139.17 13.81
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10 -12 4 140.60 11.87
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10 -12 5 20.24 6.73
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10 -12 6 2.67 2.55
10 -12 6 3.42 4.95
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10 -12 6 2.29 4.18
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10 -12 6 2.82 4.35
10 -12 6 5.79 3.73
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10 -12 7 28.64 5.24
10 -12 7 24.54 3.89
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10 -12 7 22.63 6.07
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10 -12 8 17.50 6.86
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10 -12 8 16.38 4.15
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10 -12 9 21.50 3.36
10 -12 9 29.29 7.11
10 -12 9 31.00 5.38
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10 12 9 18.49 4.92
10 -12 9 29.27 6.33
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10 -12 10 27.61 6.22
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10 -12 10 33.05 3.98
10 -12 10 28.33 4.70
10 12 10 27.98 5.34
10 -12 10 31.61 7.29
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10 12 10 28.37 3.77
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10 -12 11 22.28 4.04
10 -12 11 26.29 3.43
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10 -12 11 21.46 6.29
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10 -12 12 -0.54 2.92
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10 -13 -6 25.51 6.49
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10 -13 -2 24.83 8.22
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10 -15 2 35.05 6.80
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16 4 -3 7.06 1.89
16 -4 -3 6.10 1.85
-16 4 2 -0.71 2.19
16 -4 -2 -1.71 1.48
16 -4 -2 1.78 2.95
16 4 -2 0.10 1.30
16 -4 -2 -1.05 1.36
-16 4 1 50.15 5.34
16 -4 -1 49.95 4.10
16 -4 -1 41.97 5.53
16 4 -1 48.98 3.69
16 -4 -1 48.48 3.95
-16 4 0 37.90 4.73
16 -4 0 33.39 3.40
16 -4 0 36.59 5.45
16 4 0 36.20 3.16
16 -4 0 34.58 3.41
-16 4 -1 19.61 3.55
16 -4 1 15.38 2.38
16 -4 1 14.97 3.85
16 4 1 10.97 1.92
16 -4 1 13.59 2.33
-16 4 -2 21.93 3.69
16 -4 2 21.62 2.70
16 -4 2 16.84 4.00
16 4 2 21.44 2.38
16 -4 2 17.49 2.50
-16 4 -3 5.27 2.40
16 -4 3 7.95 1.75
16 -4 3 6.42 2.85
16 4 3 7.06 1.50
16 -4 3 4.94 1.62
-16 4 -4 3.73 2.32
16 -4 4 3.89 1.51
16 -4 4 7.84 3.14
16 -4 4 5.21 1.76
-16 4 -5 -0.45 1.92
16 -4 5 -1.77 1.41
16 -4 5 1.23 1.34
-16 4 -6 14.55 2.53
16 -4 6 12.63 1.77
16 -4 6 13.26 1.92
-16 4 -7 38.15 3.38
16 4 7 29.85 2.57
-16 5 13 14.24 2.05
-16 5 12 -0.05 1.51
-16 -5 12 0.26 1.56
-16 5 12 1.40 1.21
-16 5 11 39.12 3.60
-16 -5 11 31.58 3.89
-16 5 11 42.04 3.66
-16 5 10 7.79 2.07
-16 5 10 6.62 1.82
-16 -5 10 5.74 2.43
-16 5 9 3.19 1.87
-16 -5 9 7.67 2.66
16 -5 -9 7.87 1.51
-16 5 8 5.55 2.08
16 -5 -8 2.71 1.84
16 -5 -8 5.66 1.40
-16 5 7 -0.62 2.10
16 -5 -7 0.22 1.87
16 5 -7 0.84 1.02
16 -5 -7 0.67 1.13
-16 5 6 3.08 2.18
-16 5 6 0.94 1.15
16 -5 -6 -1.11 2.41
16 5 -6 0.79 1.02
16 -5 -6 -0.29 1.08
-16 5 5 43.81 4.68
16 -5 -5 40.53 4.89
16 5 -5 49.38 3.43
16 -5 -5 48.16 3.56
-16 5 4 5.56 2.47
16 5 -4 6.56 2.57
-16 5 4 3.75 1.43
16 -5 -4 3.66 3.02
16 5 -4 2.75 1.15
16 -5 -4 1.79 1.28
-16 5 3 63.12 5.56
16 -5 -3 68.18 4.61
16 5 -3 50.27 5.57
16 -5 -3 53.76 5.80
16 5 -3 62.50 3.72
16 -5 -3 57.60 4.01
-16 5 2 0.84 2.09
16 -5 -2 1.87 1.50
16 5 -2 -0.46 2.64
16 -5 -2 -0.81 2.47
16 -5 -2 0.23 1.31
-16 5 1 10.85 2.79
16 -5 -1 14.10 2.50
16 5 -1 10.68 3.44
16 -5 -1 9.13 3.30
16 -5 -1 9.63 1.99
-16 5 0 1.12 2.14
16 -5 0 -0.70 1.31
16 5 0 -3.72 2.64
16 -5 0 -3.46 3.04
16 -5 0 0.83 1.29
-16 5 -1 5.09 2.36
16 -5 1 6.08 1.82
16 5 1 7.34 3.26
16 -5 1 4.38 2.80
16 -5 1 3.15 1.44
-16 5 -2 1.80 1.95
16 -5 2 2.07 1.41
16 5 2 0.75 2.69
16 -5 2 1.56 2.84
16 -5 2 0.93 1.22
-16 5 -3 55.68 4.91
16 -5 3 55.72 3.92
16 5 3 39.06 4.97
16 5 3 33.14 2.92
16 -5 3 48.28 5.25
16 -5 3 50.84 3.63
-16 5 -4 7.34 2.25
16 -5 4 9.28 1.87
16 5 4 7.43 2.73
16 5 4 1.53 1.20
16 -5 4 5.34 2.31
16 -5 4 7.25 1.66
-16 5 -5 52.99 4.38
16 -5 5 53.62 3.47
16 -5 5 45.90 3.13
-16 5 -6 17.32 2.63
16 5 6 11.23 1.62
16 -5 6 18.61 2.02
-16 6 12 8.80 1.71
-16 6 11 4.48 1.62
-16 6 11 5.34 1.60
-16 6 10 0.04 1.35
-16 6 9 10.17 2.14
-16 6 9 17.09 2.70
-16 6 8 67.08 4.54
16 -6 -8 71.28 5.16
16 -6 -8 83.13 3.65
-16 6 7 1.57 1.66
-16 6 7 1.65 1.18
16 -6 -7 0.96 1.98
16 -6 -7 -1.37 1.12
-16 6 6 40.44 4.02
-16 6 6 35.13 3.09
16 -6 -6 36.41 4.36
16 -6 -6 46.67 3.04
-16 6 5 -1.42 1.88
16 6 -5 3.69 2.74
-16 6 5 2.29 1.21
16 -6 -5 0.06 2.11
16 -6 -5 -0.88 1.18
-16 6 4 5.24 2.31
16 6 -4 5.28 3.13
-16 6 4 3.74 1.49
16 -6 -4 7.82 3.09
16 -6 -4 6.89 1.46
-16 6 3 4.32 2.15
16 6 -3 2.46 2.64
-16 6 3 6.03 1.49
16 -6 -3 4.96 2.85
16 -6 -3 6.19 1.42
-16 6 2 14.22 3.00
16 -6 -2 15.47 2.42
16 6 -2 12.31 3.43
-16 6 2 11.74 1.84
16 -6 -2 13.49 3.38
16 -6 -2 11.86 1.81
-16 6 1 5.90 2.46
16 -6 -1 3.33 1.54
16 6 -1 9.68 3.36
16 -6 -1 6.32 3.00
16 -6 -1 5.14 1.45
-16 6 0 36.58 4.12
16 -6 0 36.32 3.38
16 6 0 22.57 4.11
16 -6 0 28.44 4.54
16 -6 0 26.54 2.59
-16 6 -1 21.38 3.42
16 -6 1 14.05 2.19
16 6 1 12.51 3.60
16 -6 1 16.70 3.45
16 -6 1 17.29 2.13
-16 6 -2 31.18 3.82
16 -6 2 34.08 3.13
16 6 2 19.37 3.92
16 -6 2 29.86 4.30
16 -6 2 29.07 2.59
-16 6 -3 -2.02 1.77
16 -6 3 3.15 1.48
16 6 3 1.93 2.52
16 -6 3 0.81 2.24
16 -6 3 -0.99 1.03
-16 6 -4 7.63 2.15
16 -6 4 4.90 1.39
16 6 4 5.07 2.66
16 -6 4 6.88 2.74
16 -6 4 4.77 1.23
-16 6 -5 5.16 1.86
16 -6 5 4.64 1.33
-16 6 -6 17.76 2.42
-16 7 10 6.55 1.59
-16 7 9 47.71 3.56
-16 7 8 6.66 1.81
16 -7 -8 3.95 1.58
-16 7 7 10.66 1.91
-16 7 7 11.80 2.20
-16 7 7 4.24 1.33
16 -7 -7 6.19 2.12
-16 7 6 3.94 1.67
16 7 -6 1.94 2.26
-16 7 6 5.33 1.37
16 -7 -6 6.68 2.77
-16 7 5 10.09 2.35
16 7 -5 6.93 2.82
-16 7 5 7.55 1.54
16 -7 -5 10.60 2.91
-16 7 4 28.74 3.34
16 7 -4 28.58 4.48
-16 7 4 21.97 2.40
16 -7 -4 29.53 4.04
-16 7 3 47.63 4.27
16 7 -3 42.82 4.90
-16 7 3 38.53 3.00
16 -7 -3 49.51 4.98
-16 7 2 0.23 1.65
16 7 -2 2.60 2.68
-16 7 2 -0.45 0.97
16 -7 -2 -1.00 2.22
-16 7 1 5.48 2.20
16 -7 -1 4.54 1.66
16 7 -1 -1.02 2.83
-16 7 1 1.17 1.02
16 -7 -1 -1.75 2.48
16 -7 -1 0.87 0.88
-16 7 0 8.50 2.24
16 -7 0 9.74 1.97
16 7 0 3.87 2.59
16 -7 0 9.74 2.88
-16 7 -1 1.81 1.81
16 -7 1 3.42 1.40
16 7 1 -1.28 2.48
16 -7 1 5.97 2.48
-16 7 -2 38.78 3.82
16 -7 2 37.35 3.06
16 7 2 27.17 4.15
16 -7 2 36.12 4.17
-16 7 -3 0.62 1.45
16 -7 3 -0.02 1.17
16 7 3 1.71 2.21
16 -7 3 0.02 1.96
16 -7 4 18.17 2.03
-16 7 -4 17.02 2.47
16 -8 -7 5.88 1.86
16 8 -6 20.36 3.49
-16 8 6 12.73 1.81
16 -8 -6 18.28 2.97
16 8 -5 23.48 3.69
-16 8 5 21.89 2.21
16 -8 -5 26.08 3.36
-16 8 4 -1.67 1.39
16 8 -4 -3.04 2.74
-16 8 4 -0.33 1.01
16 -8 -4 2.47 1.93
-16 8 3 16.23 2.32
16 8 -3 15.11 3.43
-16 8 3 16.02 1.94
16 -8 -3 18.85 3.25
-16 8 2 2.55 1.63
16 8 -2 -0.25 2.43
-16 8 2 1.03 1.05
16 -8 -2 0.31 1.88
-16 8 1 28.90 3.08
16 8 -1 18.98 3.48
16 -8 -1 27.99 3.74
-16 8 0 2.84 1.64
16 -8 0 1.16 1.30
16 8 0 3.61 2.48
16 -8 0 2.54 2.11
-16 8 -1 26.39 2.92
16 -8 1 31.42 2.65
16 -8 1 29.34 3.55
-16 8 -2 3.22 1.56
16 -8 2 6.48 1.49
16 -8 2 6.10 1.98
16 -9 -4 26.10 3.03
16 -9 -3 0.42 1.61
16 -9 -2 28.76 3.31
-17 0 8 8.02 1.93
17 0 -8 15.98 1.90
-17 0 7 -0.49 1.48
17 0 -7 0.80 1.17
-17 0 6 1.27 1.90
17 0 -6 -0.92 1.24
-17 0 5 -1.26 1.52
17 0 -5 1.07 1.18
-17 0 4 33.82 3.56
17 0 -4 52.20 3.48
-17 0 3 -0.32 1.49
17 0 -3 2.19 1.41
-17 0 2 13.50 2.43
17 0 -2 20.70 2.39
-17 0 1 -3.49 1.75
17 0 -1 0.54 1.19
-17 0 0 1.28 1.34
17 0 0 2.70 1.19
-17 0 -1 0.27 1.40
17 0 1 -1.05 1.12
17 0 2 2.51 1.21
17 0 3 0.37 0.92
-17 1 9 2.91 1.38
17 1 -8 47.24 3.00
17 -1 -8 46.43 2.95
-17 -1 7 51.41 4.04
-17 1 7 62.67 4.53
17 1 -7 81.08 3.96
17 -1 -7 79.44 3.97
-17 -1 6 14.10 2.38
-17 1 6 10.83 2.40
17 1 -6 16.16 2.09
17 -1 -6 17.54 2.06
-17 -1 5 6.80 2.21
-17 1 5 2.41 1.65
17 1 -5 6.78 1.46
17 -1 -5 8.19 1.66
-17 -1 4 3.50 1.79
-17 1 4 0.02 1.58
17 1 -4 0.49 1.14
17 -1 -4 1.72 1.17
-17 -1 3 4.69 1.87
-17 1 3 3.00 1.89
17 1 -3 3.47 1.30
17 -1 -3 2.80 1.31
-17 -1 2 6.38 1.77
-17 1 2 6.04 2.09
17 1 -2 8.77 1.82
17 -1 -2 6.92 1.62
-17 -1 1 24.55 2.72
-17 1 1 23.33 2.99
17 1 -1 32.01 2.74
17 -1 -1 34.93 2.92
-17 1 0 1.13 1.45
17 1 0 0.82 1.07
17 -1 0 0.54 1.10
-17 1 -1 7.94 1.95
17 1 1 12.65 1.81
17 -1 1 12.39 1.97
17 1 2 12.53 1.69
17 -1 2 13.77 1.86
17 -1 3 7.01 1.51
-17 2 9 12.20 2.09
-17 2 8 -0.16 1.46
17 -2 -8 0.40 1.02
-17 2 7 4.83 1.75
17 2 -7 5.75 1.26
17 -2 -7 4.19 1.27
-17 2 6 3.47 1.78
17 2 -6 6.08 1.34
-17 -2 5 8.61 1.92
-17 2 5 11.97 2.46
17 2 -5 14.27 1.86
17 -2 -5 14.99 1.98
-17 -2 4 27.46 2.96
-17 2 4 29.04 3.47
17 -2 -4 35.63 3.58
17 2 -4 41.47 3.01
17 -2 -4 34.10 2.75
-17 -2 3 27.33 2.85
-17 2 3 32.72 3.61
17 -2 -3 42.84 4.19
17 2 -3 45.25 3.13
17 -2 -3 40.90 3.06
-17 -2 2 3.69 1.49
-17 2 2 1.68 1.85
17 -2 -2 1.30 1.76
17 2 -2 0.77 1.10
17 -2 -2 1.62 1.15
-17 2 1 6.79 2.09
17 2 -1 10.94 1.76
17 -2 -1 8.01 1.65
-17 2 0 0.64 1.67
17 2 0 0.29 1.08
17 -2 0 0.21 1.00
-17 2 -1 0.67 1.34
17 2 1 -1.86 1.03
17 -2 1 0.60 1.10
-17 2 -2 -0.81 1.43
17 -2 2 -0.61 0.92
17 -2 3 11.35 1.63
-17 3 9 2.32 1.31
-17 3 8 18.68 2.48
-17 3 8 24.74 2.78
-17 3 7 -1.17 1.43
17 -3 -7 -1.01 0.95
17 3 -6 21.76 1.95
17 -3 -6 21.15 2.00
-17 3 5 -0.46 1.51
17 3 -5 0.29 0.86
17 -3 -5 2.49 1.21
-17 3 4 -1.03 1.60
17 -3 -4 3.48 1.71
17 3 -4 0.73 0.98
17 -3 -4 0.03 1.02
-17 3 3 -0.71 1.77
17 -3 -3 -0.02 1.79
17 3 -3 -0.70 0.98
17 -3 -3 0.78 1.08
-17 3 2 21.52 2.87
17 -3 -2 27.92 3.53
17 3 -2 29.64 2.33
17 -3 -2 28.63 2.53
-17 3 1 4.57 1.97
17 -3 -1 6.82 2.29
17 3 -1 8.07 1.40
17 -3 -1 8.17 1.55
17 -3 0 58.99 4.79
17 -3 0 61.41 3.48
-17 3 -1 -1.54 1.49
17 -3 1 0.71 1.11
-17 3 -2 2.72 1.37
17 -3 2 5.85 1.28
-17 4 8 0.17 1.07
-17 4 7 4.22 1.64
-17 4 6 1.09 1.35
17 -4 -6 3.95 1.02
-17 4 5 63.43 4.34
17 -4 -5 68.56 3.30
-17 4 4 3.48 1.79
17 -4 -4 4.18 1.80
17 -4 -4 3.61 1.07
-17 4 3 44.68 3.75
17 -4 -3 53.27 4.27
17 -4 -3 54.01 3.05
-17 4 2 16.24 2.64
17 -4 -2 19.15 2.90
17 -4 -2 16.84 1.79
-17 4 1 17.65 2.58
17 -4 -1 18.08 1.83
-17 4 0 7.32 1.94
17 -4 0 8.76 2.31
17 -4 0 10.95 1.55
-17 4 -1 3.34 1.44
-17 5 5 7.25 1.75
-17 5 4 9.24 1.93
-17 5 3 21.17 2.51
-17 5 2 16.17 2.42
17 -5 -2 16.89 2.54
-17 5 1 40.38 3.27
0 0 0 0.00 0.00
TITL 251amm18 in P2(1)/c
REM P2(1)/c (#14 in standard setting)
CELL 1.54184 13.894472 17.819329 23.524319 90.0000 96.4569 90.0000
ZERR 4.00 0.000187 0.000214 0.000352 0.0000 0.0013 0.0000
LATT 1
SYMM -x, y+1/2,-z+1/2
SFAC C H B F P Rh
UNIT 216.00 264.00 4.00 96.00 8.00 4.00
TREF
HKLF 4
END
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 33414
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.882
_oxdiff_exptl_absorpt_empirical_full_min 0.409
#===END
#-----------------------------------------------
#---------------COMPOUND 12---------------------
#-----------------------------------------------
data_12
_audit_creation_date 2019-02-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number '2018/1'
_audit_contact_author_address ?
_audit_contact_author_email ?
_audit_contact_author_name ''
_audit_contact_author_phone ?
_publ_contact_author_id_orcid ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
(2009), J. Appl. Cryst. 42, 339-341.
Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common ?
_chemical_name_systematic ?
_chemical_formula_moiety 'C22 H46 P2 Rh, C32 H12 B F24'
_chemical_formula_sum 'C54 H58 B F24 P2 Rh'
_chemical_formula_weight 1338.66
_chemical_melting_point ?
_chemical_oxdiff_formula 'C54 H66 Rh1 P2 F24 B1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'B' 'B' 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'P' 'P' 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Rh' 'Rh' 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system 'monoclinic'
_space_group_IT_number 13
_space_group_name_H-M_alt 'P 1 2/n 1'
_space_group_name_Hall '-P 2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'
_cell_length_a 17.59335(7)
_cell_length_b 18.77356(10)
_cell_length_c 35.33268(14)
_cell_angle_alpha 90
_cell_angle_beta 91.6093(4)
_cell_angle_gamma 90
_cell_volume 11665.42(9)
_cell_formula_units_Z 8
_cell_measurement_reflns_used 99388
_cell_measurement_temperature 150.02(18)
_cell_measurement_theta_max 76.1840
_cell_measurement_theta_min 3.5830
_shelx_estimated_absorpt_T_max 0.574
_shelx_estimated_absorpt_T_min 0.509
_exptl_absorpt_coefficient_mu 3.905
_exptl_absorpt_correction_T_max 1.00000
_exptl_absorpt_correction_T_min 0.76100
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details ?
_exptl_crystal_colour red
_exptl_crystal_colour_primary red
_exptl_crystal_density_diffrn 1.524
_exptl_crystal_density_meas ?
_exptl_crystal_density_method ?
_exptl_crystal_description plate
_exptl_crystal_F_000 5424
_exptl_crystal_preparation ?
_exptl_crystal_size_max 0.2
_exptl_crystal_size_mid 0.18
_exptl_crystal_size_min 0.16
_exptl_transmission_factor_max ?
_exptl_transmission_factor_min ?
_diffrn_reflns_av_R_equivalents 0.0482
_diffrn_reflns_av_unetI/netI 0.0175
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max 22
_diffrn_reflns_limit_h_min -22
_diffrn_reflns_limit_k_max 23
_diffrn_reflns_limit_k_min -21
_diffrn_reflns_limit_l_max 44
_diffrn_reflns_limit_l_min -44
_diffrn_reflns_number 301140
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full 67.684
_diffrn_reflns_theta_max 76.540
_diffrn_reflns_theta_min 3.444
_diffrn_ambient_environment N~2~
_diffrn_ambient_temperature 150.02(18)
_diffrn_detector 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):
# Type Start End Width t~exp~ \w \q \k \f Frames
--------------------------------------------------------------------------
1 \w -27.00 27.00 1.00 3.00 -- -42.66 38.00 90.00 54
2 \w -34.00 9.00 1.00 3.00 -- -42.66 38.00-120.00 43
3 \w -120.00 -20.00 1.00 3.00 -- -42.66 -19.00 -90.00 100
4 \w 81.00 128.00 1.00 3.00 -- 42.66 178.00 30.00 47
5 \w 37.00 105.00 1.00 9.00 -- 111.00 -95.00 30.00 68
6 \w 101.00 178.00 1.00 9.00 -- 111.00 30.00-150.00 77
7 \w 68.00 100.00 1.00 9.00 -- 111.00-125.00 150.00 32
8 \w 46.00 92.00 1.00 9.00 -- 111.00 -45.00 0.00 46
9 \w 43.00 107.00 1.00 9.00 -- 111.00-125.00 30.00 64
10 \w 68.00 126.00 1.00 9.00 -- 111.00 15.00 -30.00 58
11 \w 146.00 177.00 1.00 9.00 -- 111.00 15.00 -30.00 31
12 \w 40.00 80.00 1.00 9.00 -- 111.00 -45.00 90.00 40
13 \w 41.00 87.00 1.00 9.00 -- 111.00 -45.00 150.00 46
14 \w -74.00 -48.00 1.00 3.00 -- -42.66 -57.00 -30.00 26
15 \w -66.00 -17.00 1.00 3.00 -- -42.66 -57.00 -60.00 49
16 \w -71.00 -26.00 1.00 3.00 -- -42.66 -77.00 60.00 45
17 \w -71.00 -11.00 1.00 3.00 -- -42.66 -77.00-120.00 60
18 \w -76.00 -50.00 1.00 3.00 -- -42.66 -57.00-120.00 26
19 \w -82.00 -56.00 1.00 3.00 -- -42.66 -38.00 -30.00 26
20 \w 58.00 117.00 1.00 3.00 -- 42.66 178.00-120.00 59
21 \w 27.00 52.00 1.00 3.00 -- 42.66 38.00 -90.00 25
22 \w 15.00 43.00 1.00 3.00 -- 42.66 77.00 -30.00 28
23 \w 81.00 107.00 1.00 9.00 -- 111.00 71.00 4.02 26
24 \w 83.00 109.00 1.00 9.00 -- 111.00 61.00 -30.00 26
25 \w 150.00 176.00 1.00 9.00 -- 111.00 61.00 -90.00 26
26 \w 83.00 109.00 1.00 9.00 -- 111.00 61.00 -60.00 26
27 \w 83.00 109.00 1.00 9.00 -- 111.00 61.00 0.00 26
28 \w 83.00 108.00 1.00 9.00 -- 111.00 62.00 -15.89 25
29 \w 86.00 129.00 1.00 9.00 -- 111.00 52.00 44.16 43
30 \w 84.00 109.00 1.00 9.00 -- 111.00 61.00 -90.00 25
31 \w 80.00 106.00 1.00 9.00 -- 111.00 77.00 30.00 26
32 \w 148.00 176.00 1.00 9.00 -- 111.00 77.00-120.00 28
33 \w 141.00 170.00 1.00 9.00 -- 111.00 61.00 60.00 29
34 \w 81.00 106.00 1.00 9.00 -- 111.00 77.00 -30.00 25
35 \w 80.00 106.00 1.00 9.00 -- 111.00 77.00 -90.00 26
36 \w 85.00 111.00 1.00 9.00 -- 111.00 53.00 -64.20 26
37 \w 87.00 113.00 1.00 9.00 -- 111.00 45.00 -60.00 26
38 \w 84.00 109.00 1.00 9.00 -- 111.00 61.00 60.00 25
39 \w 81.00 106.00 1.00 9.00 -- 111.00 77.00 0.00 25
40 \w 87.00 139.00 1.00 9.00 -- 111.00 45.00 -30.00 52
41 \w 83.00 109.00 1.00 9.00 -- 111.00 61.00 30.00 26
42 \w 87.00 114.00 1.00 9.00 -- 111.00 45.00 0.00 27
43 \w 87.00 113.00 1.00 9.00 -- 111.00 45.00 60.00 26
44 \w 86.00 112.00 1.00 9.00 -- 111.00 50.00 -34.69 26
45 \w 88.00 115.00 1.00 9.00 -- 111.00 30.00 0.00 27
46 \w 88.00 125.00 1.00 9.00 -- 111.00 45.00 30.00 37
47 \w 148.00 174.00 1.00 9.00 -- 111.00 77.00 -60.00 26
48 \w 89.00 114.00 1.00 9.00 -- 111.00 30.00 30.00 25
49 \w 90.00 115.00 1.00 9.00 -- 111.00 45.00 -90.00 25
50 \w 80.00 107.00 1.00 9.00 -- 111.00 77.00 -60.00 27
51 \w 81.00 108.00 1.00 9.00 -- 111.00 77.00-120.00 27
52 \w 82.00 109.00 1.00 9.00 -- 111.00 67.00 36.14 27
53 \w 140.00 166.00 1.00 9.00 -- 111.00 52.00 44.16 26
54 \w 88.00 113.00 1.00 9.00 -- 111.00 46.00 -48.49 25
55 \w 80.00 106.00 1.00 9.00 -- 111.00 75.00 -6.57 26
56 \w -112.00 -83.00 1.00 3.00 -- -42.66 -38.00 30.00 29
57 \w 98.00 129.00 1.00 3.00 -- 42.66 178.00-180.00 31
58 \w 80.00 118.00 1.00 9.00 -- 111.00-125.00-180.00 38
59 \w 60.00 98.00 1.00 9.00 -- 111.00 -95.00 -90.00 38
60 \w 41.00 67.00 1.00 9.00 -- 111.00 -30.00 0.00 26
61 \w 105.00 131.00 1.00 9.00 -- 111.00 125.00 -60.00 26
62 \w 90.00 118.00 1.00 9.00 -- 111.00-125.00 0.00 28
63 \w 143.00 168.00 1.00 9.00 -- 111.00 125.00 -60.00 25
64 \w 52.00 78.00 1.00 9.00 -- 111.00 -45.00-180.00 26
65 \w 91.00 117.00 1.00 9.00 -- 111.00-125.00 60.00 26
66 \w 43.00 75.00 1.00 9.00 -- 111.00 -30.00 30.00 32
67 \w 68.00 110.00 1.00 9.00 -- 111.00 -95.00-150.00 42
68 \w 1.00 26.00 1.00 3.00 -- 38.00 92.00 65.18 25
69 \w -114.00 -21.00 1.00 3.00 -- -42.66 -38.00 120.00 93
70 \w -44.00 30.00 1.00 3.00 -- -42.66 38.00 -60.00 74
71 \w 16.00 42.00 1.00 3.00 -- 42.66 57.00 0.00 26
72 \w 13.00 45.00 1.00 3.00 -- 46.00 82.00-168.53 32
73 \w 17.00 42.00 1.00 3.00 -- 50.00 82.00 95.23 25
74 \w 17.00 42.00 1.00 3.00 -- 50.00 82.00 25.30 25
75 \w 18.00 43.00 1.00 3.00 -- 50.00 80.00-113.15 25
76 \w 31.00 57.00 1.00 3.00 -- 62.00 76.00 141.56 26
77 \w 31.00 71.00 1.00 3.00 -- 62.00 76.00 174.90 40
78 \w 106.00 133.00 1.00 3.00 -- 62.00 76.00 174.90 27
79 \w 31.00 57.00 1.00 3.00 -- 62.00 77.00 -79.50 26
80 \w 31.00 57.00 1.00 3.00 -- 62.00 76.00 88.24 26
81 \w 32.00 58.00 1.00 3.00 -- 62.00 76.00 -12.16 26
82 \w 35.00 61.00 1.00 3.00 -- 66.00 76.00 -51.92 26
83 \w 36.00 62.00 1.00 3.00 -- 66.00 77.00-109.28 26
84 \w 121.00 146.00 1.00 3.00 -- 74.00 76.00 93.10 25
85 \w 43.00 69.00 1.00 3.00 -- 74.00 76.00 93.10 26
86 \w 43.00 69.00 1.00 3.00 -- 74.00 77.00-140.41 26
87 \w 44.00 69.00 1.00 3.00 -- 74.00 75.00 14.24 25
88 \w 43.00 69.00 1.00 3.00 -- 74.00 77.00-171.61 26
89 \w 46.00 72.00 1.00 3.00 -- 74.00 72.00 67.56 26
90 \w 43.00 80.00 1.00 3.00 -- 74.00 76.00 158.61 37
91 \w 43.00 69.00 1.00 3.00 -- 74.00 74.00 123.31 26
92 \w 43.00 69.00 1.00 3.00 -- 74.00 77.00 26.84 26
93 \w 43.00 69.00 1.00 3.00 -- 74.00 76.00 -8.35 26
94 \w 49.00 76.00 1.00 9.00 -- 78.00 72.00 42.53 27
95 \w 51.00 80.00 1.00 9.00 -- 82.00 74.00 -61.67 29
96 \w 133.00 159.00 1.00 9.00 -- 86.00 76.00-124.13 26
97 \w 55.00 81.00 1.00 9.00 -- 86.00 76.00-124.13 26
98 \w 56.00 84.00 1.00 9.00 -- 86.00 70.00-170.27 28
99 \w 56.00 81.00 1.00 9.00 -- 86.00 70.00 -91.12 25
100 \w 58.00 84.00 1.00 9.00 -- 86.00 64.00-127.77 26
101 \w 61.00 87.00 1.00 9.00 -- 90.00 66.00 85.67 26
102 \w 113.00 164.00 1.00 9.00 -- 98.00 71.00 138.68 51
103 \w 68.00 95.00 1.00 9.00 -- 98.00 71.00 138.68 27
104 \w 129.00 155.00 1.00 9.00 -- 98.00 71.00 3.53 26
105 \w 68.00 94.00 1.00 9.00 -- 98.00 71.00 3.53 26
106 \w 134.00 160.00 1.00 9.00 -- 102.00 77.00 -22.14 26
107 \w 71.00 97.00 1.00 9.00 -- 102.00 77.00 -22.14 26
108 \w 131.00 164.00 1.00 9.00 -- 106.00 67.00-137.82 33
109 \w 77.00 114.00 1.00 9.00 -- 106.00 67.00-137.82 37
110 \w 129.00 155.00 1.00 9.00 -- 111.00 77.00-180.00 26
111 \w 80.00 106.00 1.00 9.00 -- 111.00 77.00-180.00 26
112 \w 128.00 154.00 1.00 9.00 -- 111.00 64.00 32.06 26
113 \w 83.00 167.00 1.00 9.00 -- 111.00 61.00 120.00 84
114 \w 83.00 109.00 1.00 9.00 -- 111.00 64.00 32.06 26
115 \w 48.00 91.00 1.00 9.00 -- 111.00 -45.00-120.00 43
116 \w 80.00 106.00 1.00 9.00 -- 111.00 77.00 90.00 26
117 \w 84.00 163.00 1.00 9.00 -- 111.00 61.00 90.00 79
118 \w 50.00 76.00 1.00 9.00 -- 111.00 -45.00-150.00 26
119 \w 135.00 177.00 1.00 9.00 -- 111.00 77.00 150.00 42
120 \w 80.00 124.00 1.00 9.00 -- 111.00 77.00 150.00 44
;
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11 0.0053689000
_diffrn_orient_matrix_UB_12 0.0177260000
_diffrn_orient_matrix_UB_13 -0.0423953000
_diffrn_orient_matrix_UB_21 -0.0870361000
_diffrn_orient_matrix_UB_22 -0.0067340000
_diffrn_orient_matrix_UB_23 -0.0047335000
_diffrn_orient_matrix_UB_31 -0.0085738000
_diffrn_orient_matrix_UB_32 0.0798408000
_diffrn_orient_matrix_UB_33 0.0090434000
_diffrn_radiation_monochromator mirror
_diffrn_radiation_probe x-ray
_diffrn_radiation_type CuK\a
_diffrn_radiation_wavelength 1.54184
_diffrn_source 'micro-focus sealed X-ray tube'
_diffrn_source_type 'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage 0.000
_reflns_Friedel_fraction_full .
_reflns_Friedel_fraction_max .
_reflns_number_gt 21819
_reflns_number_total 24335
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta 69.95
_reflns_special_details
;
Reflections were merged by SHELXL according to the crystal
class for the calculation of statistics and refinement.
_reflns_Friedel_fraction is defined as the number of unique
Friedel pairs measured divided by the number that would be
possible theoretically, ignoring centric projections and
systematic absences.
;
_reflns_threshold_expression 'I > 2\s(I)'
_computing_cell_refinement 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material 'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement 'ShelXL (Sheldrick, 2015)'
_computing_structure_solution 'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max 0.639
_refine_diff_density_min -0.745
_refine_diff_density_rms 0.054
_refine_ls_extinction_coef .
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.017
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 1827
_refine_ls_number_reflns 24335
_refine_ls_number_restraints 1473
_refine_ls_R_factor_all 0.0380
_refine_ls_R_factor_gt 0.0332
_refine_ls_restrained_S_all 1.185
_refine_ls_shift/su_max 0.006
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0434P)^2^+9.3655P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0839
_refine_ls_wR_factor_ref 0.0874
_refine_special_details ?
_olex2_refinement_description
;
1. Fixed Uiso
At 1.2 times of:
All C(H) groups, All C(H,H) groups
At 1.5 times of:
All C(H,H,H) groups
2. Restrained distances
F24-F23 \\sim F2AA-F1AA \\sim F3AA-F1AA \\sim F22-F23
with sigma of 0.04
C54-F24 \\sim C54-F2AA \\sim C54-F3AA \\sim C54-F22 \\sim C54-F1AA \\sim
C54-F23
with sigma of 0.02
F22A-F23A \\sim F22A-F24A \\sim F23A-F24A \\sim F22B-F23B \\sim F22B-F24B
\\sim F23B-F24B
with sigma of 0.04
C53A-F22A \\sim C53A-F23A \\sim C53A-F24A \\sim C53A-F22B \\sim C53A-F23B
\\sim C53A-F24B
with sigma of 0.02
F8B-F9B \\sim F8B-F7B \\sim F8A-F9A \\sim F8A-F7A \\sim F9B-F7B \\sim F9A-F7A
with sigma of 0.04
C37A-F8B \\sim C37A-F8A \\sim C37A-F9B \\sim C37A-F9A \\sim C37A-F7B \\sim
C37A-F7A
with sigma of 0.02
F16A-F17A \\sim F16A-F18A \\sim F17A-F18A \\sim F16B-F17B \\sim F16B-F18B
\\sim F17B-F18B
with sigma of 0.04
C46A-F16A \\sim C46A-F17A \\sim C46A-F18A \\sim C46A-F16B \\sim C46A-F17B
\\sim C46A-F18B
with sigma of 0.02
F20-F21 \\sim F20-F19 \\sim F4AA-F5AA \\sim F4AA-F0AA \\sim F21-F19 \\sim
F5AA-F0AA
with sigma of 0.04
C53-F20 \\sim C53-F4AA \\sim C53-F21 \\sim C53-F5AA \\sim C53-F19 \\sim
C53-F0AA
with sigma of 0.02
F7-F8 \\sim F7-F9 \\sim F6AA-F7AA \\sim F6AA-F8AA \\sim F8-F9 \\sim F7AA-F8AA
with sigma of 0.04
C37-F7 \\sim C37-F6AA \\sim C37-F8 \\sim C37-F7AA \\sim C37-F9 \\sim C37-F8AA
with sigma of 0.02
F18-F17 \\sim F18-F16 \\sim F1BA-F0BA \\sim F1BA-F9AA \\sim F0BA-F9AA \\sim
F17-F16
with sigma of 0.04
C46-F18 \\sim C46-F1BA \\sim C46-F0BA \\sim C46-F17 \\sim C46-F9AA \\sim
C46-F16
with sigma of 0.02
F4-F5 \\sim F4-F6 \\sim F5-F6 \\sim F5BA-F6BA \\sim F5BA-F4BA \\sim F6BA-F4BA
with sigma of 0.04
C30-F4 \\sim C30-F5 \\sim C30-F6 \\sim C30-F5BA \\sim C30-F6BA \\sim C30-F4BA
with sigma of 0.02
F13A-F14A \\sim F13A-F15A \\sim F14A-F15A \\sim F13B-F14B \\sim F13B-F15B
\\sim F14B-F15B
with sigma of 0.04
C45A-F13A \\sim C45A-F14A \\sim C45A-F15A \\sim C45A-F13B \\sim C45A-F14B
\\sim C45A-F15B
with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F22 \\sim F23 \\sim F24 \\sim C54 \\sim F3AA \\sim F1AA \\sim F2AA: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F22A \\sim F23A \\sim F24A \\sim C53A \\sim F22B \\sim F23B \\sim F24B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.01
F7A \\sim F8A \\sim F9A \\sim C37A \\sim F7B \\sim F8B \\sim F9B: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F16A \\sim F17A \\sim F18A \\sim C46A \\sim F16B \\sim F17B \\sim F18B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.01
F19 \\sim F20 \\sim F21 \\sim C53 \\sim F0AA \\sim F4AA \\sim F5AA: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F7 \\sim F8 \\sim F9 \\sim C37 \\sim F6AA \\sim F7AA \\sim F8AA: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
F16 \\sim F17 \\sim F18 \\sim C46 \\sim F9AA \\sim F0BA \\sim F1BA: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
F4 \\sim F5 \\sim F6 \\sim C30 \\sim F5BA \\sim F6BA \\sim F4BA: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
C1A \\sim C2A \\sim C3A \\sim C4A \\sim C4C \\sim C3C \\sim C2C \\sim C1C:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C1B \\sim C2B \\sim C3B \\sim C4B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.01
F13A \\sim F14A \\sim F15A \\sim C45A \\sim F13B \\sim F14B \\sim F15B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
F22, F23, F24, C54, F3AA, F1AA, F2AA
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F22A, F23A, F24A, C53A, F22B, F23B, F24B
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F7A, F8A, F9A, C37A, F7B, F8B, F9B
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F16A, F17A, F18A, C46A, F16B, F17B, F18B
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F19, F20, F21, C53, F0AA, F4AA, F5AA
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F7, F8, F9, C37, F6AA, F7AA, F8AA
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F16, F17, F18, C46, F9AA, F0BA, F1BA
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F4, F5, F6, C30, F5BA, F6BA, F4BA
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
C1A, C2A, C3A, C4A, C4C, C3C, C2C, C1C
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
C1, C2, C3, C4, C1B, C2B, C3B, C4B
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
F13A, F14A, F15A, C45A, F13B, F14B, F15B
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
Sof(F3AA)=Sof(F1AA)=Sof(F2AA)=1-FVAR(1)
Sof(F22)=Sof(F23)=Sof(F24)=FVAR(1)
Sof(F22B)=Sof(F23B)=Sof(F24B)=1-FVAR(2)
Sof(F22A)=Sof(F23A)=Sof(F24A)=FVAR(2)
Sof(F7B)=Sof(F8B)=Sof(F9B)=1-FVAR(3)
Sof(F7A)=Sof(F8A)=Sof(F9A)=FVAR(3)
Sof(F16B)=Sof(F17B)=Sof(F18B)=1-FVAR(4)
Sof(F16A)=Sof(F17A)=Sof(F18A)=FVAR(4)
Sof(C1B)=Sof(H1BA)=Sof(H1BB)=Sof(C2B)=Sof(H2B)=Sof(C3B)=Sof(H3B)=Sof(C4B)=
Sof(H4BA)=Sof(H4BB)=1-FVAR(5)
Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4A)=
Sof(H4B)=FVAR(5)
Sof(C4C)=Sof(H4CA)=Sof(H4CB)=Sof(C3C)=Sof(H3C)=Sof(C2C)=Sof(H2C)=Sof(C1C)=
Sof(H1CA)=Sof(H1CB)=1-FVAR(6)
Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3A)=Sof(C4A)=
Sof(H4AA)=Sof(H4AB)=FVAR(6)
Sof(F0AA)=Sof(F4AA)=Sof(F5AA)=1-FVAR(7)
Sof(F19)=Sof(F20)=Sof(F21)=FVAR(7)
Sof(F6AA)=Sof(F7AA)=Sof(F8AA)=1-FVAR(8)
Sof(F7)=Sof(F8)=Sof(F9)=FVAR(8)
Sof(F9AA)=Sof(F0BA)=Sof(F1BA)=1-FVAR(9)
Sof(F16)=Sof(F17)=Sof(F18)=FVAR(9)
Sof(F5BA)=Sof(F6BA)=Sof(F4BA)=1-FVAR(10)
Sof(F4)=Sof(F5)=Sof(F6)=FVAR(10)
Sof(F13B)=Sof(F14B)=Sof(F15B)=1-FVAR(11)
Sof(F13A)=Sof(F14A)=Sof(F15A)=FVAR(11)
6.a Ternary CH refined with riding coordinates:
C2(H2), C3(H3), C2A(H2A), C3A(H3A), C3C(H3C), C2C(H2C)
6.b Secondary CH2 refined with riding coordinates:
C5(H5A,H5B), C6(H6A,H6B), C5A(H5AA,H5AB), C6A(H6AA,H6AB)
6.c Aromatic/amide H refined with riding coordinates:
C24(H24), C26(H26), C28(H28), C32(H32), C34(H34), C36(H36), C40(H40),
C42(H42), C44(H44), C48(H48), C50(H50), C52(H52), C24A(H24A), C26A(H26A),
C28A(H28A), C32A(H32A), C34A(H34A), C36A(H36A), C40A(H40A), C42A(H42A),
C44A(H44A), C48A(H48A), C50A(H50A), C52A(H52A), C2B(H2B), C3B(H3B)
6.d X=CH2 refined with riding coordinates:
C1(H1A,H1B), C4(H4A,H4B), C1A(H1AA,H1AB), C4A(H4AA,H4AB), C1B(H1BA,H1BB),
C4B(H4BA,H4BB), C4C(H4CA,H4CB), C1C(H1CA,H1CB)
6.e Idealised Me refined as rotating group:
C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C),
C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,
H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,
H22B,H22C), C8A(H8AA,H8AB,H8AC), C9A(H9AA,H9AB,H9AC), C10A(H10D,H10E,H10F),
C12A(H12D,H12E,H12F), C13A(H13D,H13E,H13F), C14A(H14D,H14E,H14F), C16A(H16D,
H16E,H16F), C17A(H17D,H17E,H17F), C18A(H18D,H18E,H18F), C20A(H20D,H20E,H20F),
C21A(H21D,H21E,H21F), C22A(H22D,H22E,H22F)
;
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary dual
_atom_sites_solution_secondary ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.51179(2) 0.27151(2) 0.42171(2) 0.02840(4) Uani 1 1 d . . . . .
P1 P 0.55082(3) 0.30407(3) 0.36161(2) 0.02982(10) Uani 1 1 d . . . . .
P2 P 0.45280(3) 0.17392(3) 0.39301(2) 0.02601(10) Uani 1 1 d . . . . .
C1 C 0.5603(4) 0.3673(3) 0.45184(17) 0.0525(13) Uani 0.679(6) 1 d . U P A 1
H1A H 0.507468 0.376854 0.448728 0.063 Uiso 0.679(6) 1 calc R . P A 1
H1B H 0.596452 0.400889 0.443338 0.063 Uiso 0.679(6) 1 calc R . P A 1
C2 C 0.5847(3) 0.3043(3) 0.46884(11) 0.0515(10) Uani 0.679(6) 1 d . U P A 1
H2 H 0.639992 0.291895 0.468571 0.062 Uiso 0.679(6) 1 calc R . P A 1
C3 C 0.5321(3) 0.2523(2) 0.48204(11) 0.0475(10) Uani 0.679(6) 1 d . U P A 1
H3 H 0.551148 0.204734 0.490799 0.057 Uiso 0.679(6) 1 calc R . P A 1
C4 C 0.4546(3) 0.2637(3) 0.47764(11) 0.0458(11) Uani 0.679(6) 1 d . U P A 1
H4A H 0.436238 0.306090 0.465850 0.055 Uiso 0.679(6) 1 calc R . P A 1
H4B H 0.419721 0.229207 0.486414 0.055 Uiso 0.679(6) 1 calc R . P A 1
C5 C 0.50150(14) 0.24419(12) 0.32743(6) 0.0349(5) Uani 1 1 d . . . . .
H5A H 0.452953 0.266532 0.318982 0.042 Uiso 1 1 calc R . . . .
H5B H 0.533258 0.238568 0.304928 0.042 Uiso 1 1 calc R . . . .
C6 C 0.48488(12) 0.17041(11) 0.34378(6) 0.0329(4) Uani 1 1 d . . . . .
H6A H 0.531487 0.140985 0.342889 0.039 Uiso 1 1 calc R . . . .
H6B H 0.445174 0.146962 0.327755 0.039 Uiso 1 1 calc R . . . .
C7 C 0.51817(15) 0.39577(12) 0.34558(7) 0.0430(5) Uani 1 1 d . . . . .
C8 C 0.57150(18) 0.45450(14) 0.36077(9) 0.0567(7) Uani 1 1 d . . . . .
H8A H 0.578382 0.449383 0.388255 0.085 Uiso 1 1 calc GR . . . .
H8B H 0.549283 0.501233 0.354944 0.085 Uiso 1 1 calc GR . . . .
H8C H 0.620899 0.450387 0.348808 0.085 Uiso 1 1 calc GR . . . .
C9 C 0.5104(2) 0.40301(16) 0.30238(9) 0.0646(8) Uani 1 1 d . . . . .
H9A H 0.560214 0.396179 0.291203 0.097 Uiso 1 1 calc GR . . . .
H9B H 0.491084 0.450572 0.295914 0.097 Uiso 1 1 calc GR . . . .
H9C H 0.474887 0.366912 0.292441 0.097 Uiso 1 1 calc GR . . . .
C10 C 0.43968(16) 0.40782(14) 0.36234(9) 0.0543(7) Uani 1 1 d . . . . .
H10A H 0.403113 0.374224 0.350902 0.081 Uiso 1 1 calc GR . . . .
H10B H 0.422933 0.456684 0.357052 0.081 Uiso 1 1 calc GR . . . .
H10C H 0.442869 0.400231 0.389785 0.081 Uiso 1 1 calc GR . . . .
C11 C 0.65538(13) 0.29213(13) 0.35272(7) 0.0426(5) Uani 1 1 d . . . . .
C12 C 0.67841(18) 0.31922(16) 0.31368(9) 0.0598(8) Uani 1 1 d . . . . .
H12A H 0.644403 0.298796 0.294100 0.090 Uiso 1 1 calc GR . . . .
H12B H 0.730885 0.304868 0.309026 0.090 Uiso 1 1 calc GR . . . .
H12C H 0.674653 0.371289 0.312993 0.090 Uiso 1 1 calc GR . . . .
C13 C 0.67265(14) 0.21219(14) 0.35517(9) 0.0499(6) Uani 1 1 d . . . . .
H13A H 0.656904 0.193852 0.379710 0.075 Uiso 1 1 calc GR . . . .
H13B H 0.727342 0.204449 0.352577 0.075 Uiso 1 1 calc GR . . . .
H13C H 0.644733 0.187164 0.334794 0.075 Uiso 1 1 calc GR . . . .
C14 C 0.70406(15) 0.32850(17) 0.38377(9) 0.0591(7) Uani 1 1 d . . . . .
H14A H 0.693640 0.379784 0.383632 0.089 Uiso 1 1 calc GR . . . .
H14B H 0.757997 0.320406 0.379055 0.089 Uiso 1 1 calc GR . . . .
H14C H 0.691641 0.308567 0.408476 0.089 Uiso 1 1 calc GR . . . .
C15 C 0.34538(12) 0.17605(12) 0.38885(7) 0.0362(5) Uani 1 1 d . . . . .
C16 C 0.32353(14) 0.23523(14) 0.36078(9) 0.0501(6) Uani 1 1 d . . . . .
H16A H 0.348261 0.279789 0.368693 0.075 Uiso 1 1 calc GR . . . .
H16B H 0.268226 0.241652 0.360230 0.075 Uiso 1 1 calc GR . . . .
H16C H 0.340100 0.222134 0.335465 0.075 Uiso 1 1 calc GR . . . .
C17 C 0.30978(14) 0.10668(14) 0.37419(9) 0.0502(6) Uani 1 1 d . . . . .
H17A H 0.334330 0.092317 0.350835 0.075 Uiso 1 1 calc GR . . . .
H17B H 0.255311 0.113962 0.369025 0.075 Uiso 1 1 calc GR . . . .
H17C H 0.316868 0.069294 0.393326 0.075 Uiso 1 1 calc GR . . . .
C18 C 0.31173(14) 0.19563(16) 0.42694(8) 0.0517(6) Uani 1 1 d . . . . .
H18A H 0.325554 0.159149 0.445736 0.077 Uiso 1 1 calc GR . . . .
H18B H 0.256231 0.198433 0.424146 0.077 Uiso 1 1 calc GR . . . .
H18C H 0.331848 0.241862 0.435325 0.077 Uiso 1 1 calc GR . . . .
C19 C 0.48668(13) 0.08544(12) 0.41287(7) 0.0366(5) Uani 1 1 d . . . . .
C20 C 0.47332(15) 0.02252(12) 0.38595(8) 0.0475(6) Uani 1 1 d . . . . .
H20A H 0.418583 0.014031 0.382624 0.071 Uiso 1 1 calc GR . . . .
H20B H 0.497819 -0.020136 0.396636 0.071 Uiso 1 1 calc GR . . . .
H20C H 0.495020 0.033382 0.361370 0.071 Uiso 1 1 calc GR . . . .
C21 C 0.57303(13) 0.09211(13) 0.42057(8) 0.0435(5) Uani 1 1 d . . . . .
H21A H 0.599054 0.095038 0.396458 0.065 Uiso 1 1 calc GR . . . .
H21B H 0.591338 0.050311 0.434716 0.065 Uiso 1 1 calc GR . . . .
H21C H 0.583611 0.135232 0.435438 0.065 Uiso 1 1 calc GR . . . .
C22 C 0.44920(17) 0.06926(15) 0.45058(8) 0.0547(7) Uani 1 1 d . . . . .
H22A H 0.459309 0.108429 0.468354 0.082 Uiso 1 1 calc GR . . . .
H22B H 0.470144 0.024928 0.461161 0.082 Uiso 1 1 calc GR . . . .
H22C H 0.394189 0.064080 0.446334 0.082 Uiso 1 1 calc GR . . . .
Rh1A Rh 0.07718(2) 0.24616(2) 0.62752(2) 0.03265(4) Uani 1 1 d . . . . .
P1A P -0.04218(3) 0.28364(3) 0.60546(2) 0.03454(11) Uani 1 1 d . . . . .
P2A P 0.01649(3) 0.14938(3) 0.65450(2) 0.02686(10) Uani 1 1 d . . . . .
C1A C 0.1422(5) 0.3420(5) 0.6111(3) 0.0575(17) Uani 0.580(6) 1 d . U P B 1
H1AA H 0.135096 0.346977 0.637551 0.069 Uiso 0.580(6) 1 calc R . P B 1
H1AB H 0.126657 0.379013 0.594290 0.069 Uiso 0.580(6) 1 calc R . P B 1
C2A C 0.1740(3) 0.2830(3) 0.59767(18) 0.0580(12) Uani 0.580(6) 1 d . U P B 1
H2A H 0.174819 0.276073 0.569625 0.070 Uiso 0.580(6) 1 calc R . P B 1
C3A C 0.1987(3) 0.2250(3) 0.62210(19) 0.0497(13) Uani 0.580(6) 1 d . U P B 1
H3A H 0.215737 0.179141 0.610733 0.060 Uiso 0.580(6) 1 calc R . P B 1
C4A C 0.1895(3) 0.2297(3) 0.66043(19) 0.0511(13) Uani 0.580(6) 1 d . U P B 1
H4AA H 0.167001 0.270939 0.670934 0.061 Uiso 0.580(6) 1 calc R . P B 1
H4AB H 0.205679 0.191688 0.676476 0.061 Uiso 0.580(6) 1 calc R . P B 1
C5A C -0.08287(12) 0.15069(12) 0.63656(7) 0.0359(5) Uani 1 1 d . . . . .
H5AA H -0.086841 0.121896 0.613112 0.043 Uiso 1 1 calc R . . . .
H5AB H -0.115536 0.128167 0.655533 0.043 Uiso 1 1 calc R . . . .
C6A C -0.11254(12) 0.22584(12) 0.62811(7) 0.0373(5) Uani 1 1 d . . . . .
H6AA H -0.127864 0.248222 0.652095 0.045 Uiso 1 1 calc R . . . .
H6AB H -0.158380 0.222371 0.611309 0.045 Uiso 1 1 calc R . . . .
C7A C -0.0617(2) 0.27349(18) 0.55306(8) 0.0645(8) Uani 1 1 d . . . . .
C8A C 0.0015(3) 0.3092(3) 0.53053(11) 0.1132(19) Uani 1 1 d . . . . .
H8AA H -0.000051 0.360824 0.534455 0.170 Uiso 1 1 calc GR . . . .
H8AB H -0.006188 0.298668 0.503523 0.170 Uiso 1 1 calc GR . . . .
H8AC H 0.051121 0.290756 0.539255 0.170 Uiso 1 1 calc GR . . . .
C9A C -0.0609(3) 0.1933(2) 0.54495(9) 0.1053(18) Uani 1 1 d . . . . .
H9AA H -0.012790 0.172802 0.554485 0.158 Uiso 1 1 calc GR . . . .
H9AB H -0.065941 0.185293 0.517582 0.158 Uiso 1 1 calc GR . . . .
H9AC H -0.103328 0.170420 0.557590 0.158 Uiso 1 1 calc GR . . . .
C10A C -0.1392(2) 0.30265(19) 0.53969(10) 0.0779(11) Uani 1 1 d . . . . .
H10D H -0.178850 0.283774 0.555851 0.117 Uiso 1 1 calc GR . . . .
H10E H -0.149620 0.288058 0.513427 0.117 Uiso 1 1 calc GR . . . .
H10F H -0.138725 0.354765 0.541252 0.117 Uiso 1 1 calc GR . . . .
C11A C -0.07126(15) 0.37601(13) 0.62143(8) 0.0483(6) Uani 1 1 d . . . . .
C12A C -0.0382(2) 0.43420(16) 0.59644(11) 0.0714(9) Uani 1 1 d . . . . .
H12D H 0.017147 0.428603 0.595691 0.107 Uiso 1 1 calc GR . . . .
H12E H -0.050302 0.481067 0.606885 0.107 Uiso 1 1 calc GR . . . .
H12F H -0.060165 0.430197 0.570736 0.107 Uiso 1 1 calc GR . . . .
C13A C -0.03860(18) 0.38554(15) 0.66184(9) 0.0584(7) Uani 1 1 d . . . . .
H13D H -0.062219 0.351006 0.678672 0.088 Uiso 1 1 calc GR . . . .
H13E H -0.049213 0.433946 0.670636 0.088 Uiso 1 1 calc GR . . . .
H13F H 0.016490 0.377756 0.662033 0.088 Uiso 1 1 calc GR . . . .
C14A C -0.15771(18) 0.38618(17) 0.62271(11) 0.0690(9) Uani 1 1 d . . . . .
H14D H -0.179781 0.383467 0.596971 0.104 Uiso 1 1 calc GR . . . .
H14E H -0.168915 0.432869 0.633636 0.104 Uiso 1 1 calc GR . . . .
H14F H -0.179637 0.348711 0.638330 0.104 Uiso 1 1 calc GR . . . .
C15A C 0.00988(15) 0.14957(14) 0.70779(6) 0.0421(5) Uani 1 1 d . . . . .
C16A C 0.08834(19) 0.16448(17) 0.72614(8) 0.0605(8) Uani 1 1 d . . . . .
H16D H 0.123094 0.125476 0.720258 0.091 Uiso 1 1 calc GR . . . .
H16E H 0.083711 0.168202 0.753647 0.091 Uiso 1 1 calc GR . . . .
H16F H 0.108329 0.209284 0.716244 0.091 Uiso 1 1 calc GR . . . .
C17A C -0.02304(18) 0.08096(16) 0.72388(7) 0.0545(7) Uani 1 1 d . . . . .
H17D H -0.070934 0.069530 0.710401 0.082 Uiso 1 1 calc GR . . . .
H17E H -0.032466 0.087456 0.750866 0.082 Uiso 1 1 calc GR . . . .
H17F H 0.013184 0.041905 0.720691 0.082 Uiso 1 1 calc GR . . . .
C18A C -0.0423(2) 0.21150(16) 0.71794(7) 0.0582(8) Uani 1 1 d . . . . .
H18D H -0.023527 0.255521 0.706581 0.087 Uiso 1 1 calc GR . . . .
H18E H -0.042820 0.216858 0.745519 0.087 Uiso 1 1 calc GR . . . .
H18F H -0.093984 0.201797 0.708212 0.087 Uiso 1 1 calc GR . . . .
C19A C 0.05205(14) 0.05977(12) 0.63789(6) 0.0375(5) Uani 1 1 d . . . . .
C20A C 0.06906(16) 0.06810(13) 0.59567(7) 0.0467(6) Uani 1 1 d . . . . .
H20D H 0.021162 0.072458 0.581010 0.070 Uiso 1 1 calc GR . . . .
H20E H 0.096968 0.026235 0.587034 0.070 Uiso 1 1 calc GR . . . .
H20F H 0.099877 0.110919 0.592052 0.070 Uiso 1 1 calc GR . . . .
C21A C 0.12624(16) 0.03912(15) 0.65871(8) 0.0524(6) Uani 1 1 d . . . . .
H21D H 0.163344 0.077698 0.656365 0.079 Uiso 1 1 calc GR . . . .
H21E H 0.146480 -0.004506 0.647571 0.079 Uiso 1 1 calc GR . . . .
H21F H 0.116428 0.030950 0.685528 0.079 Uiso 1 1 calc GR . . . .
C22A C -0.00599(17) -0.00075(13) 0.64181(7) 0.0478(6) Uani 1 1 d . . . . .
H22D H -0.016303 -0.008137 0.668636 0.072 Uiso 1 1 calc GR . . . .
H22E H 0.014628 -0.044654 0.631148 0.072 Uiso 1 1 calc GR . . . .
H22F H -0.053303 0.011933 0.628136 0.072 Uiso 1 1 calc GR . . . .
F1 F 0.27277(13) 0.47659(11) 0.32677(7) 0.0912(7) Uani 1 1 d . . . . .
F2 F 0.27255(13) 0.37599(11) 0.30138(5) 0.0799(6) Uani 1 1 d . . . . .
F3 F 0.17776(12) 0.44306(17) 0.29256(7) 0.1244(12) Uani 1 1 d . . . . .
F4 F 0.1817(4) 0.3579(4) 0.48467(10) 0.0809(16) Uani 0.671(12) 1 d D U P C 1
F5 F 0.2135(3) 0.4602(2) 0.46472(16) 0.0699(11) Uani 0.671(12) 1 d D U P C 1
F6 F 0.2935(3) 0.3758(4) 0.4593(3) 0.0684(14) Uani 0.671(12) 1 d D U P C 1
F7 F 0.16627(11) 0.09335(15) 0.45956(9) 0.0754(9) Uani 0.829(3) 1 d D U P D 1
F8 F 0.09166(17) 0.00229(12) 0.45627(10) 0.0841(9) Uani 0.829(3) 1 d D U P D 1
F9 F 0.09039(14) 0.06906(16) 0.50318(6) 0.0791(8) Uani 0.829(3) 1 d D U P D 1
F10 F -0.21126(8) 0.09348(9) 0.41180(4) 0.0516(4) Uani 1 1 d . . . . .
F11 F -0.21839(8) 0.18022(8) 0.45059(5) 0.0540(4) Uani 1 1 d . . . . .
F12 F -0.18794(8) 0.07631(8) 0.47099(4) 0.0518(4) Uani 1 1 d . . . . .
F13 F -0.16070(10) 0.51760(7) 0.44683(4) 0.0537(4) Uani 1 1 d . . . . .
F14 F -0.08627(11) 0.44175(10) 0.47351(4) 0.0676(5) Uani 1 1 d . . . . .
F15 F -0.20093(11) 0.41392(10) 0.46021(5) 0.0685(5) Uani 1 1 d . . . . .
F16 F -0.08729(15) 0.4945(2) 0.28791(10) 0.0569(8) Uani 0.785(9) 1 d D U P E 1
F17 F -0.1777(3) 0.4212(2) 0.28044(13) 0.0689(11) Uani 0.785(9) 1 d D U P E 1
F18 F -0.1963(3) 0.5182(3) 0.30991(10) 0.0781(11) Uani 0.785(9) 1 d D U P E 1
F19 F 0.1635(3) 0.1841(3) 0.24270(15) 0.0730(13) Uani 0.625(8) 1 d D U P F 1
F20 F 0.1239(2) 0.0795(3) 0.23737(15) 0.0795(14) Uani 0.625(8) 1 d D U P F 1
F21 F 0.1923(4) 0.1093(4) 0.2864(2) 0.0643(15) Uani 0.625(8) 1 d D U P F 1
F22 F -0.1547(3) 0.1580(3) 0.23491(11) 0.0750(13) Uani 0.573(4) 1 d D U P G 1
F23 F -0.15032(17) 0.06410(16) 0.26583(10) 0.0643(9) Uani 0.573(4) 1 d D U P G 1
F24 F -0.19975(19) 0.1513(3) 0.29209(12) 0.0738(13) Uani 0.573(4) 1 d D U P G 1
C23 C 0.09397(10) 0.31327(10) 0.37765(5) 0.0239(4) Uani 1 1 d . . . . .
C24 C 0.12875(11) 0.34637(11) 0.34725(6) 0.0285(4) Uani 1 1 d . . . . .
H24 H 0.108883 0.338258 0.322339 0.034 Uiso 1 1 calc R . . . .
C25 C 0.19148(12) 0.39078(11) 0.35222(7) 0.0345(5) Uani 1 1 d . . . . .
C26 C 0.22198(12) 0.40438(12) 0.38789(7) 0.0389(5) Uani 1 1 d . . . . .
H26 H 0.264919 0.434620 0.391319 0.047 Uiso 1 1 calc R . . . .
C27 C 0.18816(12) 0.37262(12) 0.41856(7) 0.0363(5) Uani 1 1 d . . . . .
C28 C 0.12563(11) 0.32807(11) 0.41351(6) 0.0293(4) Uani 1 1 d . . . . .
H28 H 0.103739 0.307018 0.435090 0.035 Uiso 1 1 calc R . . . .
C29 C 0.22713(15) 0.42204(15) 0.31799(9) 0.0517(7) Uani 1 1 d . . . . .
C30 C 0.21934(16) 0.38798(17) 0.45747(8) 0.0580(7) Uani 1 1 d D U . . .
C31 C -0.00336(10) 0.21156(9) 0.40414(5) 0.0211(3) Uani 1 1 d . . . . .
C32 C 0.05325(11) 0.16971(10) 0.42167(5) 0.0263(4) Uani 1 1 d . . . . .
H32 H 0.105013 0.178852 0.416431 0.032 Uiso 1 1 calc R . . . .
C33 C 0.03577(12) 0.11510(11) 0.44656(6) 0.0308(4) Uani 1 1 d . . . . .
C34 C -0.03887(12) 0.09878(11) 0.45442(5) 0.0300(4) Uani 1 1 d . . . . .
H34 H -0.050653 0.061206 0.471281 0.036 Uiso 1 1 calc R . . . .
C35 C -0.09572(11) 0.13877(10) 0.43700(5) 0.0255(4) Uani 1 1 d . . . . .
C36 C -0.07814(10) 0.19412(10) 0.41261(5) 0.0234(3) Uani 1 1 d . . . . .
H36 H -0.118458 0.221048 0.401298 0.028 Uiso 1 1 calc R . . . .
C37 C 0.09790(15) 0.07151(15) 0.46494(8) 0.0523(6) Uani 1 1 d D U . . .
C38 C -0.17761(13) 0.12200(12) 0.44290(6) 0.0354(5) Uani 1 1 d . . . . .
C39 C -0.04889(10) 0.33505(10) 0.37242(5) 0.0237(4) Uani 1 1 d . . . . .
C40 C -0.07137(10) 0.36358(10) 0.40699(5) 0.0255(4) Uani 1 1 d . . . . .
H40 H -0.053908 0.341489 0.429811 0.031 Uiso 1 1 calc R . . . .
C41 C -0.11804(11) 0.42268(10) 0.40920(6) 0.0280(4) Uani 1 1 d . . . . .
C42 C -0.14526(11) 0.45642(11) 0.37647(6) 0.0309(4) Uani 1 1 d . . . . .
H42 H -0.178005 0.496530 0.377782 0.037 Uiso 1 1 calc R . . . .
C43 C -0.12326(11) 0.42985(11) 0.34205(6) 0.0304(4) Uani 1 1 d . . . . .
C44 C -0.07594(11) 0.37029(11) 0.33994(5) 0.0273(4) Uani 1 1 d . . . . .
H44 H -0.061814 0.353339 0.315797 0.033 Uiso 1 1 calc R . . . .
C45 C -0.14109(14) 0.44911(12) 0.44712(7) 0.0382(5) Uani 1 1 d . . . . .
C46 C -0.14752(14) 0.46621(13) 0.30589(7) 0.0438(5) Uani 1 1 d D U . . .
C47 C 0.00915(10) 0.22454(10) 0.33233(5) 0.0231(3) Uani 1 1 d . . . . .
C48 C 0.07278(10) 0.19647(11) 0.31485(5) 0.0264(4) Uani 1 1 d . . . . .
H48 H 0.121973 0.207843 0.324853 0.032 Uiso 1 1 calc R . . . .
C49 C 0.06643(11) 0.15242(11) 0.28328(6) 0.0302(4) Uani 1 1 d . . . . .
C50 C -0.00395(12) 0.13323(11) 0.26813(5) 0.0310(4) Uani 1 1 d . . . . .
H50 H -0.008351 0.103014 0.246608 0.037 Uiso 1 1 calc R . . . .
C51 C -0.06770(11) 0.15953(12) 0.28538(5) 0.0301(4) Uani 1 1 d . . . . .
C52 C -0.06118(11) 0.20426(11) 0.31654(5) 0.0268(4) Uani 1 1 d . . . . .
H52 H -0.106183 0.221720 0.327536 0.032 Uiso 1 1 calc R . . . .
C53 C 0.13650(14) 0.12752(15) 0.26447(7) 0.0470(6) Uani 1 1 d D U . . .
C54 C -0.14475(13) 0.14060(16) 0.26976(7) 0.0472(6) Uani 1 1 d D U . . .
B1 B 0.01385(11) 0.27078(11) 0.37159(6) 0.0216(4) Uani 1 1 d . . . . .
F1A F 0.65893(9) 0.46126(10) 0.58065(4) 0.0610(5) Uani 1 1 d . . . . .
F2A F 0.66956(9) 0.39297(9) 0.53373(5) 0.0625(5) Uani 1 1 d . . . . .
F3A F 0.60546(9) 0.48804(10) 0.52747(6) 0.0755(6) Uani 1 1 d . . . . .
F4A F 0.33591(8) 0.47928(9) 0.54351(5) 0.0623(5) Uani 1 1 d . . . . .
F5A F 0.29056(8) 0.37384(8) 0.54663(4) 0.0485(3) Uani 1 1 d . . . . .
F6A F 0.30658(8) 0.43432(9) 0.59678(4) 0.0509(4) Uani 1 1 d . . . . .
F7A F 0.3345(3) 0.0503(3) 0.52467(11) 0.0851(14) Uani 0.577(6) 1 d D U P H 1
F8A F 0.3031(3) 0.1565(2) 0.52443(11) 0.0752(14) Uani 0.577(6) 1 d D U P H 1
F9A F 0.2316(2) 0.0792(3) 0.54871(12) 0.0717(13) Uani 0.577(6) 1 d D U P H 1
F10A F 0.30917(10) -0.03215(8) 0.67034(4) 0.0585(4) Uani 1 1 d . . . . .
F11A F 0.30203(11) 0.05874(9) 0.70563(4) 0.0631(4) Uani 1 1 d . . . . .
F12A F 0.40868(9) 0.00791(10) 0.69950(5) 0.0672(5) Uani 1 1 d . . . . .
F13A F 0.6951(8) 0.3806(9) 0.7082(4) 0.052(2) Uani 0.452(15) 1 d D U P I 1
F14A F 0.6247(4) 0.4624(3) 0.7305(3) 0.0637(16) Uani 0.452(15) 1 d D U P I 1
F15A F 0.6513(5) 0.3716(7) 0.76363(17) 0.0720(18) Uani 0.452(15) 1 d D U P I 1
F16A F 0.3199(3) 0.4056(3) 0.72329(14) 0.0744(12) Uani 0.509(6) 1 d D U P J 1
F17A F 0.30522(16) 0.2925(2) 0.72884(11) 0.0568(12) Uani 0.509(6) 1 d D U P J 1
F18A F 0.3663(4) 0.3529(6) 0.77023(19) 0.0478(13) Uani 0.509(6) 1 d D U P J 1
F19A F 0.77673(9) 0.03300(9) 0.67641(5) 0.0639(4) Uani 1 1 d . . . . .
F20A F 0.76183(11) 0.13181(10) 0.70348(5) 0.0668(5) Uani 1 1 d . . . . .
F21A F 0.67670(10) 0.05209(14) 0.70796(6) 0.1000(9) Uani 1 1 d . . . . .
F22A F 0.7214(3) 0.16538(16) 0.52656(10) 0.0808(13) Uani 0.671(6) 1 d D U P K 1
F23A F 0.7458(3) 0.0563(3) 0.54188(18) 0.0880(16) Uani 0.671(6) 1 d D U P K 1
F24A F 0.6375(2) 0.0886(2) 0.52040(9) 0.0698(9) Uani 0.671(6) 1 d D U P K 1
C23A C 0.49655(10) 0.29651(10) 0.59725(5) 0.0220(3) Uani 1 1 d . . . . .
C24A C 0.55885(10) 0.33324(10) 0.58324(5) 0.0247(4) Uani 1 1 d . . . . .
H24A H 0.608488 0.314717 0.587876 0.030 Uiso 1 1 calc R . . . .
C25A C 0.55043(11) 0.39611(10) 0.56270(5) 0.0265(4) Uani 1 1 d . . . . .
C26A C 0.47934(11) 0.42487(10) 0.55495(5) 0.0277(4) Uani 1 1 d . . . . .
H26A H 0.473642 0.467359 0.540549 0.033 Uiso 1 1 calc R . . . .
C27A C 0.41649(11) 0.38974(10) 0.56887(5) 0.0250(4) Uani 1 1 d . . . . .
C28A C 0.42526(10) 0.32731(10) 0.58947(5) 0.0234(3) Uani 1 1 d . . . . .
H28A H 0.381242 0.304515 0.598671 0.028 Uiso 1 1 calc R . . . .
C29A C 0.62026(12) 0.43481(12) 0.55108(6) 0.0347(4) Uani 1 1 d . . . . .
C30A C 0.33824(12) 0.41951(11) 0.56356(6) 0.0313(4) Uani 1 1 d . . . . .
C31A C 0.43535(10) 0.17335(9) 0.62267(5) 0.0209(3) Uani 1 1 d . . . . .
C32A C 0.39707(10) 0.16146(10) 0.58799(5) 0.0230(3) Uani 1 1 d . . . . .
H32A H 0.409221 0.190235 0.566890 0.028 Uiso 1 1 calc R . . . .
C33A C 0.34189(10) 0.10897(10) 0.58339(5) 0.0241(4) Uani 1 1 d . . . . .
C34A C 0.32358(10) 0.06443(10) 0.61322(5) 0.0246(4) Uani 1 1 d . . . . .
H34A H 0.286032 0.028369 0.610133 0.030 Uiso 1 1 calc R . . . .
C35A C 0.36196(11) 0.07442(10) 0.64761(5) 0.0251(4) Uani 1 1 d . . . . .
C36A C 0.41590(10) 0.12805(10) 0.65223(5) 0.0231(3) Uani 1 1 d . . . . .
H36A H 0.440392 0.134097 0.676324 0.028 Uiso 1 1 calc R . . . .
C37A C 0.30138(13) 0.10074(12) 0.54587(6) 0.0367(5) Uani 1 1 d D U . . .
C38A C 0.34540(12) 0.02698(12) 0.68050(6) 0.0350(5) Uani 1 1 d . . . . .
C39A C 0.50221(10) 0.27478(10) 0.66761(5) 0.0225(3) Uani 1 1 d . . . . .
C40A C 0.56698(11) 0.30813(11) 0.68293(5) 0.0265(4) Uani 1 1 d . . . . .
H40A H 0.614969 0.297948 0.672509 0.032 Uiso 1 1 calc R . . . .
C41A C 0.56345(11) 0.35578(11) 0.71295(5) 0.0293(4) Uani 1 1 d . . . . .
C42A C 0.49509(12) 0.37251(12) 0.72865(6) 0.0348(5) Uani 1 1 d . . . . .
H42A H 0.492486 0.405679 0.748877 0.042 Uiso 1 1 calc R . . . .
C43A C 0.43028(12) 0.33968(13) 0.71416(6) 0.0383(5) Uani 1 1 d . . . . .
C44A C 0.43374(11) 0.29164(11) 0.68436(5) 0.0286(4) Uani 1 1 d . . . . .
H44A H 0.388210 0.269693 0.675147 0.034 Uiso 1 1 calc R . . . .
C45A C 0.63503(14) 0.38793(15) 0.72932(7) 0.0486(6) Uani 1 1 d D U . . .
C46A C 0.35600(15) 0.35691(19) 0.73092(9) 0.0695(8) Uani 1 1 d D U . . .
C47A C 0.58191(10) 0.18458(10) 0.62321(5) 0.0232(3) Uani 1 1 d . . . . .
C48A C 0.60887(11) 0.16707(10) 0.58755(5) 0.0270(4) Uani 1 1 d . . . . .
H48A H 0.583490 0.185820 0.565653 0.032 Uiso 1 1 calc R . . . .
C49A C 0.67145(12) 0.12322(11) 0.58305(6) 0.0312(4) Uani 1 1 d . . . . .
C50A C 0.71023(11) 0.09462(11) 0.61419(6) 0.0328(4) Uani 1 1 d . . . . .
H50A H 0.753511 0.065119 0.611165 0.039 Uiso 1 1 calc R . . . .
C51A C 0.68415(11) 0.11024(11) 0.64967(6) 0.0304(4) Uani 1 1 d . . . . .
C52A C 0.62139(10) 0.15431(10) 0.65412(5) 0.0264(4) Uani 1 1 d . . . . .
H52A H 0.604861 0.164132 0.678947 0.032 Uiso 1 1 calc R . . . .
C53A C 0.69839(16) 0.10808(14) 0.54421(7) 0.0488(6) Uani 1 1 d D U . . .
C54A C 0.72381(13) 0.08123(14) 0.68442(7) 0.0439(6) Uani 1 1 d . . . . .
B1A B 0.50443(11) 0.23094(11) 0.62762(6) 0.0211(4) Uani 1 1 d . . . . .
F3AA F -0.18646(18) 0.2081(2) 0.26359(12) 0.0557(11) Uani 0.427(4) 1 d D U P G 2
F1AA F -0.1479(3) 0.1187(4) 0.23656(17) 0.0833(17) Uani 0.427(4) 1 d D U P G 2
F2AA F -0.1870(3) 0.1114(4) 0.29146(19) 0.0825(17) Uani 0.427(4) 1 d D U P G 2
F22B F 0.6573(5) 0.1252(6) 0.51715(19) 0.0769(19) Uani 0.329(6) 1 d D U P K 2
F23B F 0.7693(4) 0.1388(5) 0.5408(2) 0.0763(19) Uani 0.329(6) 1 d D U P K 2
F24B F 0.7194(6) 0.0412(4) 0.5402(3) 0.0628(19) Uani 0.329(6) 1 d D U P K 2
F7B F 0.3461(3) 0.0989(5) 0.51819(11) 0.0756(16) Uani 0.423(6) 1 d D U P H 2
F8B F 0.2559(4) 0.1578(3) 0.53941(17) 0.0806(17) Uani 0.423(6) 1 d D U P H 2
F9B F 0.2575(4) 0.0470(3) 0.54284(16) 0.0660(16) Uani 0.423(6) 1 d D U P H 2
F16B F 0.3478(2) 0.4395(2) 0.72318(11) 0.0533(10) Uani 0.491(6) 1 d D U P J 2
F17B F 0.29807(17) 0.3413(3) 0.70827(15) 0.0779(16) Uani 0.491(6) 1 d D U P J 2
F18B F 0.3470(5) 0.3559(7) 0.7659(2) 0.0608(17) Uani 0.491(6) 1 d D U P J 2
C1B C 0.4895(8) 0.2416(7) 0.4822(3) 0.048(2) Uani 0.321(6) 1 d . U P A 2
H1BA H 0.540667 0.228676 0.477687 0.058 Uiso 0.321(6) 1 calc R . P A 2
H1BB H 0.455192 0.207262 0.491634 0.058 Uiso 0.321(6) 1 calc R . P A 2
C2B C 0.4659(6) 0.3082(6) 0.4754(2) 0.0488(17) Uani 0.321(6) 1 d . U P A 2
H2B H 0.414576 0.320414 0.480073 0.059 Uiso 0.321(6) 1 calc R . P A 2
C3B C 0.5163(7) 0.3622(5) 0.4611(3) 0.0539(19) Uani 0.321(6) 1 d . U P A 2
H3B H 0.498174 0.409110 0.456437 0.065 Uiso 0.321(6) 1 calc R . P A 2
C4B C 0.5892(7) 0.3453(8) 0.4544(4) 0.052(2) Uani 0.321(6) 1 d . U P A 2
H4BA H 0.607165 0.298294 0.459035 0.063 Uiso 0.321(6) 1 calc R . P A 2
H4BB H 0.622683 0.380435 0.444959 0.063 Uiso 0.321(6) 1 calc R . P A 2
C4C C 0.1416(4) 0.3149(5) 0.5848(3) 0.0583(17) Uani 0.420(6) 1 d . U P B 2
H4CA H 0.150226 0.267121 0.577152 0.070 Uiso 0.420(6) 1 calc R . P B 2
H4CB H 0.123223 0.348913 0.566802 0.070 Uiso 0.420(6) 1 calc R . P B 2
C3C C 0.1560(7) 0.3354(8) 0.6227(4) 0.057(2) Uani 0.420(6) 1 d . U P B 2
H3C H 0.140568 0.383859 0.631342 0.068 Uiso 0.420(6) 1 calc R . P B 2
C2C C 0.1840(3) 0.2838(4) 0.6501(2) 0.0518(14) Uani 0.420(6) 1 d . U P B 2
H2C H 0.187944 0.297774 0.677382 0.062 Uiso 0.420(6) 1 calc R . P B 2
C1C C 0.1975(4) 0.2150(5) 0.6405(3) 0.0480(18) Uani 0.420(6) 1 d . U P B 2
H1CA H 0.188640 0.199601 0.615129 0.058 Uiso 0.420(6) 1 calc R . P B 2
H1CB H 0.215882 0.182308 0.659105 0.058 Uiso 0.420(6) 1 calc R . P B 2
F0AA F 0.1505(4) 0.1517(6) 0.23360(16) 0.0708(18) Uani 0.375(8) 1 d D U P F 2
F4AA F 0.1323(3) 0.0537(3) 0.2598(3) 0.0711(18) Uani 0.375(8) 1 d D U P F 2
F5AA F 0.1973(6) 0.1316(6) 0.2875(4) 0.0543(19) Uani 0.375(8) 1 d D U P F 2
F6AA F 0.1476(6) 0.0517(7) 0.4357(3) 0.076(2) Uani 0.171(3) 1 d D U P D 2
F7AA F 0.0849(7) 0.0153(7) 0.4791(4) 0.075(2) Uani 0.171(3) 1 d D U P D 2
F8AA F 0.1396(8) 0.1126(7) 0.4859(4) 0.090(3) Uani 0.171(3) 1 d D U P D 2
F9AA F -0.1073(8) 0.5204(7) 0.3005(4) 0.068(2) Uani 0.215(9) 1 d D U P E 2
F0BA F -0.1523(8) 0.4234(8) 0.2770(4) 0.053(2) Uani 0.215(9) 1 d D U P E 2
F1BA F -0.2201(6) 0.4892(8) 0.3110(4) 0.066(2) Uani 0.215(9) 1 d D U P E 2
F5BA F 0.1938(7) 0.4415(7) 0.4743(3) 0.085(2) Uani 0.329(12) 1 d D U P C 2
F6BA F 0.2949(6) 0.3932(7) 0.4621(5) 0.063(2) Uani 0.329(12) 1 d D U P C 2
F4BA F 0.2116(7) 0.3268(5) 0.4803(2) 0.0684(19) Uani 0.329(12) 1 d D U P C 2
F13B F 0.6898(7) 0.3909(7) 0.7047(4) 0.0544(19) Uani 0.548(15) 1 d D U P I 2
F14B F 0.6277(4) 0.4466(5) 0.7469(3) 0.0817(17) Uani 0.548(15) 1 d D U P I 2
F15B F 0.6638(4) 0.3395(5) 0.75697(19) 0.0666(15) Uani 0.548(15) 1 d D U P I 2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Rh1 0.03279(8) 0.02663(8) 0.02587(7) -0.00587(5) 0.00235(5) -0.00227(6)
P1 0.0335(3) 0.0254(2) 0.0308(2) -0.00294(19) 0.00574(19) -0.00505(19)
P2 0.0265(2) 0.0225(2) 0.0292(2) -0.00276(18) 0.00384(18) -0.00183(18)
C1 0.070(4) 0.043(3) 0.045(2) -0.019(2) -0.003(3) -0.013(2)
C2 0.062(2) 0.059(3) 0.0329(18) -0.0154(17) -0.0098(16) -0.0067(19)
C3 0.064(3) 0.056(2) 0.0226(16) -0.0053(14) -0.0060(18) 0.000(2)
C4 0.057(3) 0.055(3) 0.0252(17) -0.0040(18) 0.0094(17) -0.001(2)
C5 0.0451(12) 0.0338(11) 0.0259(10) -0.0028(8) 0.0015(8) -0.0073(9)
C6 0.0381(11) 0.0297(11) 0.0311(10) -0.0075(8) 0.0047(8) -0.0057(8)
C7 0.0524(14) 0.0285(11) 0.0484(13) 0.0038(10) 0.0050(11) -0.0043(10)
C8 0.0665(18) 0.0281(12) 0.0762(19) -0.0023(12) 0.0120(15) -0.0095(12)
C9 0.093(2) 0.0464(16) 0.0548(17) 0.0184(13) -0.0010(15) -0.0050(15)
C10 0.0506(15) 0.0337(13) 0.0788(19) 0.0068(12) 0.0049(13) 0.0069(11)
C11 0.0356(11) 0.0399(13) 0.0532(14) -0.0039(10) 0.0155(10) -0.0082(9)
C12 0.0621(17) 0.0501(16) 0.0691(18) 0.0004(13) 0.0352(15) -0.0105(13)
C13 0.0363(12) 0.0448(14) 0.0693(17) -0.0014(12) 0.0171(11) 0.0002(10)
C14 0.0355(13) 0.0583(17) 0.084(2) -0.0094(15) 0.0051(13) -0.0154(12)
C15 0.0271(10) 0.0313(11) 0.0502(13) -0.0002(9) 0.0021(9) -0.0022(8)
C16 0.0328(12) 0.0440(14) 0.0730(18) 0.0100(12) -0.0060(11) 0.0015(10)
C17 0.0351(12) 0.0392(13) 0.0760(18) -0.0034(12) -0.0024(12) -0.0101(10)
C18 0.0349(12) 0.0545(16) 0.0666(17) -0.0065(13) 0.0188(11) -0.0014(11)
C19 0.0385(11) 0.0263(10) 0.0453(12) 0.0052(9) 0.0069(9) 0.0025(8)
C20 0.0457(13) 0.0239(11) 0.0736(17) -0.0037(11) 0.0110(12) -0.0016(9)
C21 0.0397(12) 0.0344(12) 0.0562(14) 0.0044(10) -0.0019(10) 0.0081(10)
C22 0.0636(17) 0.0462(15) 0.0549(15) 0.0198(12) 0.0140(13) 0.0045(13)
Rh1A 0.02959(8) 0.02586(8) 0.04287(9) -0.00043(6) 0.00781(6) -0.00365(6)
P1A 0.0393(3) 0.0291(3) 0.0351(3) 0.0040(2) -0.0008(2) -0.0007(2)
P2A 0.0305(2) 0.0254(2) 0.0248(2) -0.00066(18) 0.00390(18) -0.00167(18)
C1A 0.048(4) 0.044(3) 0.081(5) 0.012(3) 0.011(3) -0.021(2)
C2A 0.042(2) 0.059(3) 0.074(3) 0.011(2) 0.021(2) -0.015(2)
C3A 0.028(2) 0.052(3) 0.070(3) -0.002(2) 0.016(3) -0.0070(18)
C4A 0.027(2) 0.058(3) 0.068(3) -0.004(3) 0.002(2) -0.0042(19)
C5A 0.0320(10) 0.0343(11) 0.0413(11) 0.0020(9) 0.0000(9) -0.0081(9)
C6A 0.0288(10) 0.0369(12) 0.0459(12) 0.0019(9) -0.0034(9) -0.0029(9)
C7A 0.097(2) 0.0603(18) 0.0357(13) 0.0097(12) -0.0062(14) 0.0178(17)
C8A 0.132(4) 0.156(5) 0.054(2) 0.050(3) 0.031(2) 0.047(3)
C9A 0.204(5) 0.076(2) 0.0339(15) -0.0169(15) -0.032(2) 0.052(3)
C10A 0.111(3) 0.063(2) 0.0576(18) 0.0108(15) -0.0354(19) 0.0061(19)
C11A 0.0502(14) 0.0300(12) 0.0643(16) 0.0021(11) -0.0073(12) 0.0049(10)
C12A 0.080(2) 0.0373(15) 0.096(3) 0.0192(15) -0.0176(19) -0.0066(14)
C13A 0.0705(19) 0.0367(14) 0.0676(18) -0.0141(12) -0.0067(14) 0.0088(13)
C14A 0.0567(17) 0.0493(17) 0.101(3) -0.0043(16) -0.0052(17) 0.0193(14)
C15A 0.0548(14) 0.0458(13) 0.0259(10) 0.0013(9) 0.0031(9) 0.0083(11)
C16A 0.080(2) 0.0634(18) 0.0365(13) -0.0042(12) -0.0175(13) 0.0043(15)
C17A 0.0728(18) 0.0570(17) 0.0343(12) 0.0123(11) 0.0152(12) 0.0074(14)
C18A 0.088(2) 0.0578(17) 0.0295(12) -0.0044(11) 0.0133(12) 0.0213(15)
C19A 0.0474(12) 0.0268(11) 0.0386(11) -0.0022(8) 0.0082(9) 0.0011(9)
C20A 0.0657(16) 0.0304(12) 0.0448(13) -0.0078(10) 0.0183(12) -0.0008(11)
C21A 0.0534(15) 0.0416(14) 0.0624(16) -0.0005(12) 0.0047(12) 0.0144(12)
C22A 0.0676(17) 0.0275(11) 0.0486(14) 0.0007(10) 0.0067(12) -0.0065(11)
F1 0.0937(15) 0.0667(12) 0.1148(17) 0.0208(12) 0.0318(13) -0.0425(11)
F2 0.0953(14) 0.0821(14) 0.0644(11) 0.0170(10) 0.0397(10) 0.0006(11)
F3 0.0603(12) 0.189(3) 0.1234(19) 0.128(2) -0.0049(12) -0.0128(14)
F4 0.082(3) 0.124(4) 0.0368(14) -0.0063(19) -0.0094(15) -0.058(3)
F5 0.068(2) 0.073(2) 0.069(3) -0.0381(17) 0.0077(16) -0.0194(15)
F6 0.0552(18) 0.072(3) 0.076(2) -0.030(2) -0.0310(16) -0.0017(19)
F7 0.0316(9) 0.0861(17) 0.108(2) 0.0632(16) -0.0061(11) 0.0030(10)
F8 0.0931(18) 0.0441(12) 0.112(2) -0.0001(13) -0.0495(17) 0.0247(11)
F9 0.0802(15) 0.109(2) 0.0464(11) 0.0316(12) -0.0187(10) 0.0192(14)
F10 0.0353(7) 0.0659(10) 0.0537(8) -0.0088(7) 0.0027(6) -0.0195(7)
F11 0.0416(8) 0.0423(8) 0.0798(11) 0.0007(7) 0.0300(7) 0.0045(6)
F12 0.0514(8) 0.0501(9) 0.0550(8) 0.0172(7) 0.0223(7) -0.0094(7)
F13 0.0767(10) 0.0310(7) 0.0541(8) -0.0041(6) 0.0122(7) 0.0185(7)
F14 0.0788(11) 0.0808(12) 0.0423(8) -0.0211(8) -0.0122(8) 0.0397(10)
F15 0.0849(12) 0.0588(10) 0.0639(10) -0.0053(8) 0.0420(9) -0.0108(9)
F16 0.0529(12) 0.0631(17) 0.0552(15) 0.0351(13) 0.0082(10) -0.0013(11)
F17 0.077(2) 0.0753(17) 0.0525(17) 0.0290(12) -0.0311(17) -0.0211(18)
F18 0.091(2) 0.078(2) 0.0664(14) 0.0420(16) 0.0155(15) 0.0527(18)
F19 0.069(2) 0.083(3) 0.070(2) 0.0142(19) 0.048(2) 0.0214(19)
F20 0.0605(18) 0.105(3) 0.073(3) -0.052(2) 0.0083(17) 0.0221(18)
F21 0.049(2) 0.087(4) 0.057(2) 0.010(3) 0.0068(16) 0.043(2)
F22 0.063(2) 0.099(3) 0.0612(19) 0.040(2) -0.0386(16) -0.031(2)
F23 0.0510(16) 0.0558(17) 0.085(2) -0.0147(15) -0.0176(14) -0.0185(13)
F24 0.0272(14) 0.116(3) 0.078(2) -0.063(2) 0.0034(14) -0.0077(19)
C23 0.0210(8) 0.0217(9) 0.0288(9) 0.0015(7) 0.0000(7) 0.0005(7)
C24 0.0249(9) 0.0268(10) 0.0339(10) 0.0077(8) 0.0007(7) -0.0001(7)
C25 0.0290(10) 0.0244(10) 0.0503(12) 0.0099(9) 0.0055(9) 0.0003(8)
C26 0.0283(10) 0.0273(11) 0.0610(14) -0.0010(10) 0.0004(9) -0.0088(8)
C27 0.0328(11) 0.0331(11) 0.0427(12) -0.0071(9) -0.0036(9) -0.0073(9)
C28 0.0281(9) 0.0287(10) 0.0309(10) -0.0011(8) 0.0004(7) -0.0043(8)
C29 0.0409(13) 0.0462(15) 0.0684(17) 0.0263(13) 0.0069(12) -0.0101(11)
C30 0.0500(14) 0.0711(17) 0.0525(14) -0.0181(13) -0.0059(11) -0.0239(13)
C31 0.0244(8) 0.0190(8) 0.0198(8) -0.0014(6) -0.0006(6) -0.0003(7)
C32 0.0246(9) 0.0266(10) 0.0274(9) 0.0027(7) -0.0025(7) -0.0029(7)
C33 0.0339(10) 0.0275(10) 0.0306(10) 0.0066(8) -0.0058(8) -0.0017(8)
C34 0.0415(11) 0.0253(10) 0.0233(9) 0.0034(7) 0.0023(8) -0.0061(8)
C35 0.0307(9) 0.0235(9) 0.0225(8) -0.0039(7) 0.0057(7) -0.0041(7)
C36 0.0253(9) 0.0230(9) 0.0220(8) -0.0016(7) 0.0014(7) 0.0001(7)
C37 0.0442(13) 0.0484(14) 0.0634(15) 0.0279(12) -0.0143(11) -0.0026(11)
C38 0.0365(11) 0.0325(11) 0.0379(11) 0.0009(9) 0.0130(9) -0.0042(9)
C39 0.0210(8) 0.0227(9) 0.0275(9) 0.0040(7) 0.0003(7) -0.0029(7)
C40 0.0261(9) 0.0224(9) 0.0279(9) 0.0036(7) -0.0006(7) -0.0006(7)
C41 0.0279(9) 0.0213(9) 0.0349(10) 0.0015(7) 0.0024(8) -0.0010(7)
C42 0.0268(9) 0.0214(9) 0.0445(11) 0.0062(8) 0.0007(8) 0.0018(7)
C43 0.0265(9) 0.0276(10) 0.0369(11) 0.0115(8) -0.0026(8) -0.0016(8)
C44 0.0258(9) 0.0281(10) 0.0281(9) 0.0063(7) 0.0007(7) -0.0011(7)
C45 0.0456(12) 0.0282(11) 0.0410(12) 0.0009(9) 0.0059(9) 0.0088(9)
C46 0.0431(12) 0.0425(12) 0.0455(12) 0.0190(10) -0.0056(10) 0.0031(10)
C47 0.0230(8) 0.0250(9) 0.0213(8) 0.0040(7) 0.0006(7) -0.0005(7)
C48 0.0209(8) 0.0296(10) 0.0286(9) 0.0029(7) -0.0008(7) 0.0015(7)
C49 0.0289(10) 0.0344(11) 0.0275(9) 0.0003(8) 0.0045(8) 0.0048(8)
C50 0.0361(10) 0.0342(11) 0.0228(9) -0.0032(8) 0.0006(8) 0.0012(8)
C51 0.0261(9) 0.0403(11) 0.0238(9) -0.0018(8) -0.0029(7) -0.0019(8)
C52 0.0222(9) 0.0343(10) 0.0238(9) -0.0008(7) 0.0019(7) 0.0013(7)
C53 0.0363(11) 0.0623(15) 0.0426(12) -0.0128(11) 0.0076(9) 0.0113(11)
C54 0.0326(11) 0.0718(16) 0.0367(11) -0.0124(11) -0.0070(9) -0.0068(11)
B1 0.0199(9) 0.0237(10) 0.0212(9) 0.0023(7) -0.0001(7) -0.0008(7)
F1A 0.0600(9) 0.0739(11) 0.0493(8) -0.0118(8) 0.0029(7) -0.0451(8)
F2A 0.0458(8) 0.0672(11) 0.0761(11) -0.0165(9) 0.0313(8) -0.0224(7)
F3A 0.0508(9) 0.0783(12) 0.0974(13) 0.0572(11) 0.0013(9) -0.0228(9)
F4A 0.0414(8) 0.0487(9) 0.0970(13) 0.0426(9) 0.0068(8) 0.0098(7)
F5A 0.0369(7) 0.0483(8) 0.0591(9) -0.0061(7) -0.0181(6) -0.0005(6)
F6A 0.0370(7) 0.0681(10) 0.0479(8) -0.0082(7) 0.0036(6) 0.0159(7)
F7A 0.115(3) 0.097(3) 0.0417(18) -0.0374(19) -0.0220(18) 0.033(2)
F8A 0.116(3) 0.0593(19) 0.0475(19) 0.0286(16) -0.049(2) -0.046(2)
F9A 0.0408(17) 0.135(4) 0.0390(16) 0.003(2) -0.0100(13) -0.034(2)
F10A 0.0848(11) 0.0418(8) 0.0484(8) 0.0166(6) -0.0063(8) -0.0321(8)
F11A 0.0863(12) 0.0660(11) 0.0385(8) 0.0099(7) 0.0288(8) -0.0086(9)
F12A 0.0521(9) 0.0823(12) 0.0661(10) 0.0519(9) -0.0163(8) -0.0164(8)
F13A 0.031(2) 0.069(5) 0.054(3) -0.009(3) -0.006(2) -0.017(3)
F14A 0.062(2) 0.054(2) 0.075(4) -0.030(2) 0.004(3) -0.0258(19)
F15A 0.061(3) 0.116(5) 0.038(2) 0.000(3) -0.0192(19) -0.045(3)
F16A 0.050(2) 0.088(3) 0.085(2) 0.001(2) 0.009(2) 0.026(2)
F17A 0.0228(13) 0.083(3) 0.065(2) -0.0400(19) 0.0108(13) -0.0043(14)
F18A 0.026(3) 0.060(2) 0.058(2) -0.0255(17) 0.0182(17) -0.003(3)
F19A 0.0558(9) 0.0569(10) 0.0782(11) 0.0151(8) -0.0141(8) 0.0225(8)
F20A 0.0759(11) 0.0722(12) 0.0507(9) 0.0014(8) -0.0259(8) 0.0096(9)
F21A 0.0460(9) 0.155(2) 0.0991(15) 0.0988(16) 0.0068(9) 0.0047(11)
F22A 0.128(3) 0.0571(17) 0.0606(18) -0.0004(13) 0.061(2) -0.0147(18)
F23A 0.094(3) 0.103(3) 0.069(2) 0.002(3) 0.030(2) 0.065(3)
F24A 0.094(2) 0.077(2) 0.0390(14) -0.0170(15) 0.0135(13) 0.0024(18)
C23A 0.0259(9) 0.0217(9) 0.0185(8) -0.0020(6) 0.0018(6) -0.0033(7)
C24A 0.0238(9) 0.0275(10) 0.0227(8) -0.0018(7) 0.0016(7) -0.0044(7)
C25A 0.0299(9) 0.0254(9) 0.0242(9) -0.0017(7) 0.0025(7) -0.0088(7)
C26A 0.0349(10) 0.0217(9) 0.0265(9) 0.0020(7) 0.0015(7) -0.0051(7)
C27A 0.0285(9) 0.0222(9) 0.0243(9) -0.0002(7) -0.0003(7) -0.0029(7)
C28A 0.0244(9) 0.0224(9) 0.0235(8) 0.0009(7) 0.0029(7) -0.0044(7)
C29A 0.0357(11) 0.0349(11) 0.0338(10) 0.0026(8) 0.0044(8) -0.0116(9)
C30A 0.0327(10) 0.0267(10) 0.0344(10) 0.0048(8) -0.0007(8) -0.0008(8)
C31A 0.0205(8) 0.0210(8) 0.0213(8) -0.0009(6) 0.0028(6) 0.0007(6)
C32A 0.0265(9) 0.0224(9) 0.0202(8) 0.0006(7) 0.0043(7) -0.0012(7)
C33A 0.0256(9) 0.0236(9) 0.0231(8) -0.0023(7) 0.0003(7) -0.0012(7)
C34A 0.0240(8) 0.0221(9) 0.0279(9) -0.0001(7) 0.0025(7) -0.0033(7)
C35A 0.0263(9) 0.0232(9) 0.0259(9) 0.0035(7) 0.0039(7) -0.0011(7)
C36A 0.0244(8) 0.0241(9) 0.0208(8) 0.0010(7) 0.0005(7) -0.0004(7)
C37A 0.0420(11) 0.0419(12) 0.0259(9) -0.0001(8) -0.0041(8) -0.0133(9)
C38A 0.0377(11) 0.0360(11) 0.0311(10) 0.0093(8) 0.0001(8) -0.0106(9)
C39A 0.0235(8) 0.0236(9) 0.0206(8) 0.0012(7) 0.0006(7) -0.0015(7)
C40A 0.0253(9) 0.0308(10) 0.0237(9) 0.0008(7) 0.0024(7) -0.0046(7)
C41A 0.0318(10) 0.0298(10) 0.0260(9) 0.0004(7) -0.0040(7) -0.0085(8)
C42A 0.0372(11) 0.0358(11) 0.0312(10) -0.0124(8) -0.0040(8) 0.0016(9)
C43A 0.0278(10) 0.0506(14) 0.0364(11) -0.0190(10) -0.0005(8) 0.0057(9)
C44A 0.0225(9) 0.0348(11) 0.0283(9) -0.0089(8) -0.0017(7) 0.0010(8)
C45A 0.0437(12) 0.0634(15) 0.0387(12) -0.0096(11) -0.0001(9) -0.0248(11)
C46A 0.0345(13) 0.099(2) 0.0742(17) -0.0554(16) -0.0028(12) 0.0159(13)
C47A 0.0217(8) 0.0229(9) 0.0250(9) 0.0006(7) 0.0023(7) -0.0044(7)
C48A 0.0285(9) 0.0271(10) 0.0257(9) 0.0000(7) 0.0038(7) -0.0003(7)
C49A 0.0314(10) 0.0270(10) 0.0359(10) -0.0012(8) 0.0111(8) -0.0005(8)
C50A 0.0238(9) 0.0259(10) 0.0492(12) 0.0042(9) 0.0074(8) 0.0008(7)
C51A 0.0244(9) 0.0264(10) 0.0404(11) 0.0088(8) -0.0005(8) -0.0030(7)
C52A 0.0239(9) 0.0283(10) 0.0271(9) 0.0038(7) 0.0016(7) -0.0031(7)
C53A 0.0591(14) 0.0430(13) 0.0455(13) -0.0017(10) 0.0235(11) 0.0093(11)
C54A 0.0316(11) 0.0474(14) 0.0527(14) 0.0189(11) -0.0021(10) 0.0029(10)
B1A 0.0208(9) 0.0230(10) 0.0196(9) 0.0003(7) 0.0019(7) -0.0015(7)
F3AA 0.0320(17) 0.051(2) 0.082(3) -0.0082(18) -0.0298(16) 0.0051(14)
F1AA 0.060(2) 0.117(4) 0.071(3) -0.063(3) -0.028(2) 0.011(3)
F2AA 0.044(3) 0.098(4) 0.104(3) 0.042(3) -0.022(2) -0.037(3)
F22B 0.093(4) 0.098(5) 0.041(3) 0.000(3) 0.012(3) 0.047(4)
F23B 0.076(3) 0.096(4) 0.060(3) -0.025(3) 0.045(3) -0.038(3)
F24B 0.092(5) 0.041(2) 0.058(3) -0.026(2) 0.029(4) -0.001(3)
F7B 0.071(3) 0.133(4) 0.0231(17) -0.014(3) 0.0073(16) -0.032(3)
F8B 0.106(4) 0.075(3) 0.058(3) -0.011(2) -0.055(3) 0.030(3)
F9B 0.096(4) 0.057(3) 0.044(2) 0.005(2) -0.028(3) -0.050(2)
F16B 0.040(2) 0.065(2) 0.0547(18) -0.0162(18) -0.0013(15) 0.0221(17)
F17B 0.0244(14) 0.119(4) 0.091(3) -0.072(3) 0.0066(16) -0.0025(18)
F18B 0.028(4) 0.072(3) 0.083(3) -0.024(3) 0.029(2) -0.004(3)
C1B 0.061(5) 0.061(4) 0.023(3) 0.000(3) 0.001(4) -0.003(4)
C2B 0.065(4) 0.057(4) 0.025(3) -0.018(3) 0.001(3) -0.003(3)
C3B 0.072(4) 0.053(4) 0.037(3) -0.023(3) -0.004(3) -0.007(3)
C4B 0.064(5) 0.052(5) 0.041(4) -0.018(4) -0.008(4) -0.020(4)
C4C 0.047(3) 0.054(4) 0.074(4) 0.019(3) 0.017(3) -0.016(3)
C3C 0.042(4) 0.048(4) 0.081(5) 0.005(3) 0.011(4) -0.021(3)
C2C 0.029(2) 0.056(3) 0.071(3) -0.006(3) 0.007(2) -0.015(2)
C1C 0.029(3) 0.054(3) 0.062(5) -0.003(4) 0.013(4) 0.001(2)
F0AA 0.056(3) 0.127(5) 0.030(2) 0.011(3) 0.018(2) 0.038(4)
F4AA 0.054(3) 0.062(3) 0.098(4) -0.038(3) 0.017(3) 0.012(2)
F5AA 0.028(2) 0.082(5) 0.053(3) -0.017(3) 0.0055(19) 0.015(3)
F6AA 0.048(4) 0.080(5) 0.098(5) 0.036(4) -0.014(4) 0.038(4)
F7AA 0.072(4) 0.066(4) 0.086(5) 0.054(4) -0.011(5) 0.000(4)
F8AA 0.067(5) 0.105(5) 0.096(5) 0.018(4) -0.045(4) 0.001(4)
F9AA 0.083(5) 0.058(4) 0.064(5) 0.038(3) -0.014(4) -0.018(4)
F0BA 0.065(5) 0.056(4) 0.038(3) 0.013(3) -0.004(4) 0.018(4)
F1BA 0.064(4) 0.066(5) 0.066(4) 0.038(4) -0.015(3) 0.028(4)
F5BA 0.087(5) 0.104(4) 0.062(4) -0.044(4) 0.002(3) -0.004(4)
F6BA 0.059(3) 0.067(5) 0.062(4) -0.013(4) -0.020(3) -0.038(3)
F4BA 0.076(4) 0.093(4) 0.035(3) -0.009(3) -0.014(3) -0.036(3)
F13B 0.045(3) 0.062(3) 0.056(3) 0.003(2) 0.005(3) -0.030(2)
F14B 0.081(2) 0.084(3) 0.080(4) -0.050(3) -0.008(3) -0.033(2)
F15B 0.054(2) 0.094(4) 0.050(2) 0.014(2) -0.0277(18) -0.035(2)
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P1 2.3316(5) . ?
Rh1 P2 2.3244(5) . ?
Rh1 C1 2.246(5) . ?
Rh1 C2 2.163(4) . ?
Rh1 C3 2.181(4) . ?
Rh1 C4 2.248(4) . ?
Rh1 C1B 2.256(10) . ?
Rh1 C2B 2.194(8) . ?
Rh1 C3B 2.198(8) . ?
Rh1 C4B 2.240(11) . ?
P1 C5 1.849(2) . ?
P1 C7 1.896(2) . ?
P1 C11 1.888(2) . ?
P2 C6 1.845(2) . ?
P2 C15 1.892(2) . ?
P2 C19 1.893(2) . ?
C1 H1A 0.9500 . ?
C1 H1B 0.9500 . ?
C1 C2 1.390(8) . ?
C2 H2 1.0000 . ?
C2 C3 1.433(7) . ?
C3 H3 1.0000 . ?
C3 C4 1.385(7) . ?
C4 H4A 0.9500 . ?
C4 H4B 0.9500 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.532(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.535(4) . ?
C7 C9 1.535(4) . ?
C7 C10 1.535(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.535(4) . ?
C11 C13 1.533(4) . ?
C11 C14 1.533(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.531(3) . ?
C15 C17 1.529(3) . ?
C15 C18 1.530(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.530(3) . ?
C19 C21 1.541(3) . ?
C19 C22 1.534(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Rh1A P1A 2.3282(6) . ?
Rh1A P2A 2.3254(5) . ?
Rh1A C1A 2.218(9) . ?
Rh1A C2A 2.143(4) . ?
Rh1A C3A 2.188(6) . ?
Rh1A C4A 2.286(5) . ?
Rh1A C4C 2.309(7) . ?
Rh1A C3C 2.185(14) . ?
Rh1A C2C 2.140(6) . ?
Rh1A C1C 2.231(8) . ?
P1A C6A 1.846(2) . ?
P1A C7A 1.883(3) . ?
P1A C11A 1.898(3) . ?
P2A C5A 1.843(2) . ?
P2A C15A 1.890(2) . ?
P2A C19A 1.894(2) . ?
C1A H1AA 0.9500 . ?
C1A H1AB 0.9500 . ?
C1A C2A 1.334(12) . ?
C2A H2A 1.0000 . ?
C2A C3A 1.449(9) . ?
C3A H3A 1.0000 . ?
C3A C4A 1.371(9) . ?
C4A H4AA 0.9500 . ?
C4A H4AB 0.9500 . ?
C5A H5AA 0.9900 . ?
C5A H5AB 0.9900 . ?
C5A C6A 1.531(3) . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C7A C8A 1.539(6) . ?
C7A C9A 1.533(5) . ?
C7A C10A 1.532(5) . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C11A C12A 1.530(4) . ?
C11A C13A 1.535(4) . ?
C11A C14A 1.535(4) . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A C16A 1.534(4) . ?
C15A C17A 1.529(4) . ?
C15A C18A 1.530(4) . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A C20A 1.538(3) . ?
C19A C21A 1.530(4) . ?
C19A C22A 1.536(3) . ?
C20A H20D 0.9800 . ?
C20A H20E 0.9800 . ?
C20A H20F 0.9800 . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C22A H22D 0.9800 . ?
C22A H22E 0.9800 . ?
C22A H22F 0.9800 . ?
F1 C29 1.333(3) . ?
F2 C29 1.325(4) . ?
F3 C29 1.294(3) . ?
F4 C30 1.310(5) . ?
F5 C30 1.384(5) . ?
F6 C30 1.324(6) . ?
F7 C37 1.290(3) . ?
F8 C37 1.339(4) . ?
F9 C37 1.362(4) . ?
F10 C38 1.345(3) . ?
F11 C38 1.339(3) . ?
F12 C38 1.328(3) . ?
F13 C45 1.331(3) . ?
F14 C45 1.330(3) . ?
F15 C45 1.336(3) . ?
F16 C46 1.359(3) . ?
F17 C46 1.333(4) . ?
F18 C46 1.310(4) . ?
F19 C53 1.402(5) . ?
F20 C53 1.330(4) . ?
F21 C53 1.280(6) . ?
F22 C54 1.281(4) . ?
F23 C54 1.446(4) . ?
F24 C54 1.281(4) . ?
C23 C24 1.397(3) . ?
C23 C28 1.398(3) . ?
C23 B1 1.628(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.390(3) . ?
C25 C26 1.380(3) . ?
C25 C29 1.498(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(3) . ?
C27 C28 1.389(3) . ?
C27 C30 1.494(3) . ?
C28 H28 0.9500 . ?
C30 F5BA 1.257(9) . ?
C30 F6BA 1.339(10) . ?
C30 F4BA 1.412(8) . ?
C31 C32 1.399(3) . ?
C31 C36 1.396(3) . ?
C31 B1 1.634(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.391(3) . ?
C33 C34 1.384(3) . ?
C33 C37 1.499(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.381(3) . ?
C35 C36 1.390(3) . ?
C35 C38 1.495(3) . ?
C36 H36 0.9500 . ?
C37 F6AA 1.423(10) . ?
C37 F7AA 1.192(9) . ?
C37 F8AA 1.284(10) . ?
C39 C40 1.401(3) . ?
C39 C44 1.397(3) . ?
C39 B1 1.636(3) . ?
C40 H40 0.9500 . ?
C40 C41 1.384(3) . ?
C41 C42 1.392(3) . ?
C41 C45 1.495(3) . ?
C42 H42 0.9500 . ?
C42 C43 1.380(3) . ?
C43 C44 1.397(3) . ?
C43 C46 1.500(3) . ?
C44 H44 0.9500 . ?
C46 F9AA 1.258(8) . ?
C46 F0BA 1.300(11) . ?
C46 F1BA 1.365(9) . ?
C47 C48 1.397(3) . ?
C47 C52 1.396(3) . ?
C47 B1 1.637(3) . ?
C48 H48 0.9500 . ?
C48 C49 1.391(3) . ?
C49 C50 1.383(3) . ?
C49 C53 1.492(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.383(3) . ?
C51 C52 1.387(3) . ?
C51 C54 1.492(3) . ?
C52 H52 0.9500 . ?
C53 F0AA 1.213(7) . ?
C53 F4AA 1.397(6) . ?
C53 F5AA 1.328(9) . ?
C54 F3AA 1.477(4) . ?
C54 F1AA 1.243(5) . ?
C54 F2AA 1.214(6) . ?
F1A C29A 1.327(3) . ?
F2A C29A 1.332(3) . ?
F3A C29A 1.323(3) . ?
F4A C30A 1.327(2) . ?
F5A C30A 1.330(2) . ?
F6A C30A 1.343(3) . ?
F7A C37A 1.350(4) . ?
F8A C37A 1.293(4) . ?
F9A C37A 1.298(4) . ?
F10A C38A 1.325(3) . ?
F11A C38A 1.328(3) . ?
F12A C38A 1.333(3) . ?
F13A C45A 1.318(9) . ?
F14A C45A 1.411(7) . ?
F15A C45A 1.275(6) . ?
F16A C46A 1.141(5) . ?
F17A C46A 1.504(5) . ?
F18A C46A 1.398(7) . ?
F19A C54A 1.335(3) . ?
F20A C54A 1.333(3) . ?
F21A C54A 1.310(3) . ?
F22A C53A 1.313(4) . ?
F23A C53A 1.285(5) . ?
F24A C53A 1.392(4) . ?
C23A C24A 1.397(2) . ?
C23A C28A 1.401(3) . ?
C23A B1A 1.636(3) . ?
C24A H24A 0.9500 . ?
C24A C25A 1.391(3) . ?
C25A C26A 1.382(3) . ?
C25A C29A 1.495(3) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.389(3) . ?
C27A C28A 1.386(3) . ?
C27A C30A 1.493(3) . ?
C28A H28A 0.9500 . ?
C31A C32A 1.399(2) . ?
C31A C36A 1.397(2) . ?
C31A B1A 1.632(3) . ?
C32A H32A 0.9500 . ?
C32A C33A 1.390(3) . ?
C33A C34A 1.390(3) . ?
C33A C37A 1.495(3) . ?
C34A H34A 0.9500 . ?
C34A C35A 1.386(3) . ?
C35A C36A 1.390(3) . ?
C35A C38A 1.499(3) . ?
C36A H36A 0.9500 . ?
C37A F7B 1.273(5) . ?
C37A F8B 1.353(5) . ?
C37A F9B 1.273(5) . ?
C39A C40A 1.396(3) . ?
C39A C44A 1.393(3) . ?
C39A B1A 1.637(3) . ?
C40A H40A 0.9500 . ?
C40A C41A 1.390(3) . ?
C41A C42A 1.375(3) . ?
C41A C45A 1.498(3) . ?
C42A H42A 0.9500 . ?
C42A C43A 1.382(3) . ?
C43A C44A 1.389(3) . ?
C43A C46A 1.485(3) . ?
C44A H44A 0.9500 . ?
C45A F13B 1.319(8) . ?
C45A F14B 1.274(6) . ?
C45A F15B 1.418(6) . ?
C46A F16B 1.580(6) . ?
C46A F17B 1.311(4) . ?
C46A F18B 1.251(9) . ?
C47A C48A 1.398(3) . ?
C47A C52A 1.399(3) . ?
C47A B1A 1.628(3) . ?
C48A H48A 0.9500 . ?
C48A C49A 1.387(3) . ?
C49A C50A 1.386(3) . ?
C49A C53A 1.492(3) . ?
C50A H50A 0.9500 . ?
C50A C51A 1.379(3) . ?
C51A C52A 1.392(3) . ?
C51A C54A 1.497(3) . ?
C52A H52A 0.9500 . ?
C53A F22B 1.225(7) . ?
C53A F23B 1.383(6) . ?
C53A F24B 1.318(8) . ?
C1B H1BA 0.9500 . ?
C1B H1BB 0.9500 . ?
C1B C2B 1.337(16) . ?
C2B H2B 0.9500 . ?
C2B C3B 1.447(16) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.349(17) . ?
C4B H4BA 0.9500 . ?
C4B H4BB 0.9500 . ?
C4C H4CA 0.9500 . ?
C4C H4CB 0.9500 . ?
C4C C3C 1.411(17) . ?
C3C H3C 1.0000 . ?
C3C C2C 1.446(14) . ?
C2C H2C 1.0000 . ?
C2C C1C 1.358(12) . ?
C1C H1CA 0.9500 . ?
C1C H1CB 0.9500 . ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Rh1 P1 87.057(18) . . ?
C1 Rh1 P1 95.96(17) . . ?
C1 Rh1 P2 175.51(18) . . ?
C1 Rh1 C4 79.0(2) . . ?
C2 Rh1 P1 116.30(13) . . ?
C2 Rh1 P2 143.91(14) . . ?
C2 Rh1 C1 36.7(2) . . ?
C2 Rh1 C3 38.5(2) . . ?
C2 Rh1 C4 67.19(18) . . ?
C3 Rh1 P1 152.76(15) . . ?
C3 Rh1 P2 110.78(13) . . ?
C3 Rh1 C1 67.7(2) . . ?
C3 Rh1 C4 36.40(19) . . ?
C4 Rh1 P1 165.56(15) . . ?
C4 Rh1 P2 97.29(14) . . ?
C1B Rh1 P1 172.8(4) . . ?
C1B Rh1 P2 97.5(3) . . ?
C2B Rh1 P1 146.1(3) . . ?
C2B Rh1 P2 117.0(3) . . ?
C2B Rh1 C1B 34.9(4) . . ?
C2B Rh1 C3B 38.5(4) . . ?
C2B Rh1 C4B 66.0(4) . . ?
C3B Rh1 P1 111.5(3) . . ?
C3B Rh1 P2 153.4(3) . . ?
C3B Rh1 C1B 66.2(4) . . ?
C3B Rh1 C4B 35.4(4) . . ?
C4B Rh1 P1 96.7(4) . . ?
C4B Rh1 P2 165.9(4) . . ?
C4B Rh1 C1B 77.6(5) . . ?
C5 P1 Rh1 106.91(7) . . ?
C5 P1 C7 102.95(11) . . ?
C5 P1 C11 105.11(11) . . ?
C7 P1 Rh1 114.56(8) . . ?
C11 P1 Rh1 115.70(8) . . ?
C11 P1 C7 110.27(11) . . ?
C6 P2 Rh1 107.15(7) . . ?
C6 P2 C15 105.00(10) . . ?
C6 P2 C19 102.51(10) . . ?
C15 P2 Rh1 116.75(7) . . ?
C15 P2 C19 110.54(10) . . ?
C19 P2 Rh1 113.45(8) . . ?
Rh1 C1 H1A 74.8 . . ?
Rh1 C1 H1B 129.1 . . ?
H1A C1 H1B 120.0 . . ?
C2 C1 Rh1 68.4(3) . . ?
C2 C1 H1A 120.0 . . ?
C2 C1 H1B 120.0 . . ?
Rh1 C2 H2 118.9 . . ?
C1 C2 Rh1 74.9(3) . . ?
C1 C2 H2 118.9 . . ?
C1 C2 C3 121.7(5) . . ?
C3 C2 Rh1 71.4(2) . . ?
C3 C2 H2 118.9 . . ?
Rh1 C3 H3 119.6 . . ?
C2 C3 Rh1 70.0(2) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 Rh1 74.4(2) . . ?
C4 C3 C2 120.1(4) . . ?
C4 C3 H3 119.6 . . ?
Rh1 C4 H4A 73.4 . . ?
Rh1 C4 H4B 129.8 . . ?
C3 C4 Rh1 69.2(2) . . ?
C3 C4 H4A 120.0 . . ?
C3 C4 H4B 120.0 . . ?
H4A C4 H4B 120.0 . . ?
P1 C5 H5A 108.9 . . ?
P1 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C6 C5 P1 113.23(14) . . ?
C6 C5 H5A 108.9 . . ?
C6 C5 H5B 108.9 . . ?
P2 C6 H6A 109.0 . . ?
P2 C6 H6B 109.0 . . ?
C5 C6 P2 112.95(14) . . ?
C5 C6 H6A 109.0 . . ?
C5 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C8 C7 P1 111.75(19) . . ?
C9 C7 P1 113.30(19) . . ?
C9 C7 C8 108.7(2) . . ?
C10 C7 P1 106.66(16) . . ?
C10 C7 C8 107.9(2) . . ?
C10 C7 C9 108.3(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P1 113.2(2) . . ?
C13 C11 P1 107.41(15) . . ?
C13 C11 C12 108.6(2) . . ?
C14 C11 P1 110.81(17) . . ?
C14 C11 C12 109.8(2) . . ?
C14 C11 C13 106.8(2) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 P2 107.33(15) . . ?
C17 C15 P2 114.03(16) . . ?
C17 C15 C16 107.8(2) . . ?
C17 C15 C18 109.7(2) . . ?
C18 C15 P2 110.30(17) . . ?
C18 C15 C16 107.4(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 P2 113.94(17) . . ?
C20 C19 C21 107.81(19) . . ?
C20 C19 C22 108.9(2) . . ?
C21 C19 P2 107.02(15) . . ?
C22 C19 P2 110.93(16) . . ?
C22 C19 C21 108.0(2) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P2A Rh1A P1A 87.315(19) . . ?
C1A Rh1A P1A 97.7(2) . . ?
C1A Rh1A P2A 170.8(2) . . ?
C1A Rh1A C4A 78.3(3) . . ?
C2A Rh1A P1A 117.35(18) . . ?
C2A Rh1A P2A 146.56(17) . . ?
C2A Rh1A C1A 35.6(3) . . ?
C2A Rh1A C3A 39.1(2) . . ?
C2A Rh1A C4A 66.8(2) . . ?
C3A Rh1A P1A 154.13(18) . . ?
C3A Rh1A P2A 110.80(16) . . ?
C3A Rh1A C1A 67.2(3) . . ?
C3A Rh1A C4A 35.6(2) . . ?
C4A Rh1A P1A 165.94(17) . . ?
C4A Rh1A P2A 94.95(15) . . ?
C4C Rh1A P1A 93.8(2) . . ?
C4C Rh1A P2A 160.8(2) . . ?
C3C Rh1A P1A 108.1(3) . . ?
C3C Rh1A P2A 158.6(3) . . ?
C3C Rh1A C4C 36.5(4) . . ?
C3C Rh1A C1C 67.4(4) . . ?
C2C Rh1A P1A 143.0(2) . . ?
C2C Rh1A P2A 120.9(2) . . ?
C2C Rh1A C4C 67.5(3) . . ?
C2C Rh1A C3C 39.1(4) . . ?
C2C Rh1A C1C 36.1(3) . . ?
C1C Rh1A P1A 171.7(3) . . ?
C1C Rh1A P2A 98.9(2) . . ?
C1C Rh1A C4C 78.5(3) . . ?
C6A P1A Rh1A 106.67(7) . . ?
C6A P1A C7A 105.12(14) . . ?
C6A P1A C11A 102.62(12) . . ?
C7A P1A Rh1A 115.87(11) . . ?
C7A P1A C11A 109.97(13) . . ?
C11A P1A Rh1A 115.13(8) . . ?
C5A P2A Rh1A 106.90(7) . . ?
C5A P2A C15A 104.97(11) . . ?
C5A P2A C19A 102.93(11) . . ?
C15A P2A Rh1A 116.66(8) . . ?
C15A P2A C19A 109.91(11) . . ?
C19A P2A Rh1A 114.06(7) . . ?
Rh1A C1A H1AA 74.9 . . ?
Rh1A C1A H1AB 128.0 . . ?
H1AA C1A H1AB 120.0 . . ?
C2A C1A Rh1A 69.2(4) . . ?
C2A C1A H1AA 120.0 . . ?
C2A C1A H1AB 120.0 . . ?
Rh1A C2A H2A 118.7 . . ?
C1A C2A Rh1A 75.3(5) . . ?
C1A C2A H2A 118.7 . . ?
C1A C2A C3A 122.2(7) . . ?
C3A C2A Rh1A 72.1(3) . . ?
C3A C2A H2A 118.7 . . ?
Rh1A C3A H3A 119.8 . . ?
C2A C3A Rh1A 68.8(3) . . ?
C2A C3A H3A 119.8 . . ?
C4A C3A Rh1A 76.1(3) . . ?
C4A C3A C2A 119.9(6) . . ?
C4A C3A H3A 119.8 . . ?
Rh1A C4A H4AA 74.0 . . ?
Rh1A C4A H4AB 130.2 . . ?
C3A C4A Rh1A 68.3(4) . . ?
C3A C4A H4AA 120.0 . . ?
C3A C4A H4AB 120.0 . . ?
H4AA C4A H4AB 120.0 . . ?
P2A C5A H5AA 108.9 . . ?
P2A C5A H5AB 108.9 . . ?
H5AA C5A H5AB 107.7 . . ?
C6A C5A P2A 113.22(15) . . ?
C6A C5A H5AA 108.9 . . ?
C6A C5A H5AB 108.9 . . ?
P1A C6A H6AA 108.9 . . ?
P1A C6A H6AB 108.9 . . ?
C5A C6A P1A 113.41(15) . . ?
C5A C6A H6AA 108.9 . . ?
C5A C6A H6AB 108.9 . . ?
H6AA C6A H6AB 107.7 . . ?
C8A C7A P1A 110.5(3) . . ?
C9A C7A P1A 106.31(19) . . ?
C9A C7A C8A 108.7(4) . . ?
C10A C7A P1A 113.8(2) . . ?
C10A C7A C8A 109.6(3) . . ?
C10A C7A C9A 107.8(3) . . ?
C7A C8A H8AA 109.5 . . ?
C7A C8A H8AB 109.5 . . ?
C7A C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C7A C9A H9AA 109.5 . . ?
C7A C9A H9AB 109.5 . . ?
C7A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7A C10A H10D 109.5 . . ?
C7A C10A H10E 109.5 . . ?
C7A C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C12A C11A P1A 111.8(2) . . ?
C12A C11A C13A 108.4(2) . . ?
C12A C11A C14A 108.8(2) . . ?
C13A C11A P1A 106.62(17) . . ?
C13A C11A C14A 107.7(3) . . ?
C14A C11A P1A 113.5(2) . . ?
C11A C12A H12D 109.5 . . ?
C11A C12A H12E 109.5 . . ?
C11A C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C11A C13A H13D 109.5 . . ?
C11A C13A H13E 109.5 . . ?
C11A C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C11A C14A H14D 109.5 . . ?
C11A C14A H14E 109.5 . . ?
C11A C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C16A C15A P2A 109.98(18) . . ?
C17A C15A P2A 113.80(18) . . ?
C17A C15A C16A 110.0(2) . . ?
C17A C15A C18A 108.5(2) . . ?
C18A C15A P2A 106.80(16) . . ?
C18A C15A C16A 107.5(2) . . ?
C15A C16A H16D 109.5 . . ?
C15A C16A H16E 109.5 . . ?
C15A C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C15A C17A H17D 109.5 . . ?
C15A C17A H17E 109.5 . . ?
C15A C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C15A C18A H18D 109.5 . . ?
C15A C18A H18E 109.5 . . ?
C15A C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C20A C19A P2A 106.57(15) . . ?
C21A C19A P2A 111.16(17) . . ?
C21A C19A C20A 107.8(2) . . ?
C21A C19A C22A 109.2(2) . . ?
C22A C19A P2A 113.76(17) . . ?
C22A C19A C20A 108.1(2) . . ?
C19A C20A H20D 109.5 . . ?
C19A C20A H20E 109.5 . . ?
C19A C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C19A C21A H21D 109.5 . . ?
C19A C21A H21E 109.5 . . ?
C19A C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C19A C22A H22D 109.5 . . ?
C19A C22A H22E 109.5 . . ?
C19A C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
C24 C23 C28 115.89(17) . . ?
C24 C23 B1 120.86(16) . . ?
C28 C23 B1 122.56(16) . . ?
C23 C24 H24 118.9 . . ?
C25 C24 C23 122.19(19) . . ?
C25 C24 H24 118.9 . . ?
C24 C25 C29 118.8(2) . . ?
C26 C25 C24 120.9(2) . . ?
C26 C25 C29 120.3(2) . . ?
C25 C26 H26 121.0 . . ?
C25 C26 C27 118.04(19) . . ?
C27 C26 H26 121.0 . . ?
C26 C27 C28 121.0(2) . . ?
C26 C27 C30 118.8(2) . . ?
C28 C27 C30 120.2(2) . . ?
C23 C28 H28 119.0 . . ?
C27 C28 C23 122.01(19) . . ?
C27 C28 H28 119.0 . . ?
F1 C29 C25 112.1(3) . . ?
F2 C29 F1 103.7(2) . . ?
F2 C29 C25 111.9(2) . . ?
F3 C29 F1 108.4(2) . . ?
F3 C29 F2 107.0(3) . . ?
F3 C29 C25 113.1(2) . . ?
F4 C30 F5 104.1(4) . . ?
F4 C30 F6 114.0(5) . . ?
F4 C30 C27 114.3(2) . . ?
F5 C30 C27 109.4(3) . . ?
F6 C30 F5 103.8(4) . . ?
F6 C30 C27 110.3(4) . . ?
F5BA C30 C27 117.5(6) . . ?
F5BA C30 F6BA 104.5(7) . . ?
F5BA C30 F4BA 109.9(6) . . ?
F6BA C30 C27 117.7(8) . . ?
F6BA C30 F4BA 95.8(8) . . ?
F4BA C30 C27 109.2(4) . . ?
C32 C31 B1 123.35(16) . . ?
C36 C31 C32 115.90(17) . . ?
C36 C31 B1 120.31(15) . . ?
C31 C32 H32 119.1 . . ?
C33 C32 C31 121.76(18) . . ?
C33 C32 H32 119.1 . . ?
C32 C33 C37 120.33(19) . . ?
C34 C33 C32 121.19(18) . . ?
C34 C33 C37 118.47(19) . . ?
C33 C34 H34 121.0 . . ?
C35 C34 C33 118.00(18) . . ?
C35 C34 H34 121.0 . . ?
C34 C35 C36 120.77(18) . . ?
C34 C35 C38 120.78(18) . . ?
C36 C35 C38 118.42(18) . . ?
C31 C36 H36 118.8 . . ?
C35 C36 C31 122.37(17) . . ?
C35 C36 H36 118.8 . . ?
F7 C37 F8 110.2(3) . . ?
F7 C37 F9 105.9(3) . . ?
F7 C37 C33 115.7(2) . . ?
F8 C37 F9 100.6(3) . . ?
F8 C37 C33 112.1(2) . . ?
F9 C37 C33 111.0(2) . . ?
F6AA C37 C33 106.5(4) . . ?
F7AA C37 C33 121.2(7) . . ?
F7AA C37 F6AA 101.6(9) . . ?
F7AA C37 F8AA 113.8(9) . . ?
F8AA C37 C33 108.7(6) . . ?
F8AA C37 F6AA 102.8(9) . . ?
F10 C38 C35 111.94(17) . . ?
F11 C38 F10 105.34(19) . . ?
F11 C38 C35 112.35(18) . . ?
F12 C38 F10 106.69(18) . . ?
F12 C38 F11 106.87(17) . . ?
F12 C38 C35 113.14(19) . . ?
C40 C39 B1 120.32(16) . . ?
C44 C39 C40 115.93(17) . . ?
C44 C39 B1 123.30(17) . . ?
C39 C40 H40 118.7 . . ?
C41 C40 C39 122.56(18) . . ?
C41 C40 H40 118.7 . . ?
C40 C41 C42 120.60(19) . . ?
C40 C41 C45 119.52(18) . . ?
C42 C41 C45 119.86(18) . . ?
C41 C42 H42 121.0 . . ?
C43 C42 C41 117.99(18) . . ?
C43 C42 H42 121.0 . . ?
C42 C43 C44 121.24(18) . . ?
C42 C43 C46 120.40(19) . . ?
C44 C43 C46 118.3(2) . . ?
C39 C44 C43 121.66(19) . . ?
C39 C44 H44 119.2 . . ?
C43 C44 H44 119.2 . . ?
F13 C45 F15 105.88(19) . . ?
F13 C45 C41 112.98(19) . . ?
F14 C45 F13 106.8(2) . . ?
F14 C45 F15 105.6(2) . . ?
F14 C45 C41 112.58(18) . . ?
F15 C45 C41 112.46(19) . . ?
F16 C46 C43 111.7(2) . . ?
F17 C46 F16 103.5(3) . . ?
F17 C46 C43 112.6(3) . . ?
F18 C46 F16 106.3(2) . . ?
F18 C46 F17 107.2(3) . . ?
F18 C46 C43 114.7(2) . . ?
F9AA C46 C43 110.4(5) . . ?
F9AA C46 F0BA 114.0(9) . . ?
F9AA C46 F1BA 107.2(7) . . ?
F0BA C46 C43 113.5(8) . . ?
F0BA C46 F1BA 105.0(8) . . ?
F1BA C46 C43 106.1(5) . . ?
C48 C47 B1 123.56(16) . . ?
C52 C47 C48 115.66(17) . . ?
C52 C47 B1 120.43(16) . . ?
C47 C48 H48 118.9 . . ?
C49 C48 C47 122.12(17) . . ?
C49 C48 H48 118.9 . . ?
C48 C49 C53 119.67(19) . . ?
C50 C49 C48 121.09(18) . . ?
C50 C49 C53 119.21(19) . . ?
C49 C50 H50 121.2 . . ?
C51 C50 C49 117.70(18) . . ?
C51 C50 H50 121.2 . . ?
C50 C51 C52 121.08(18) . . ?
C50 C51 C54 119.45(19) . . ?
C52 C51 C54 119.46(19) . . ?
C47 C52 H52 118.8 . . ?
C51 C52 C47 122.34(18) . . ?
C51 C52 H52 118.8 . . ?
F19 C53 C49 107.7(3) . . ?
F20 C53 F19 99.9(3) . . ?
F20 C53 C49 114.2(2) . . ?
F21 C53 F19 105.6(5) . . ?
F21 C53 F20 111.4(4) . . ?
F21 C53 C49 116.3(5) . . ?
F0AA C53 C49 118.3(4) . . ?
F0AA C53 F4AA 106.1(5) . . ?
F0AA C53 F5AA 110.5(7) . . ?
F4AA C53 C49 108.8(3) . . ?
F5AA C53 C49 111.7(6) . . ?
F5AA C53 F4AA 99.7(5) . . ?
F22 C54 F23 98.9(3) . . ?
F22 C54 F24 117.9(4) . . ?
F22 C54 C51 113.1(3) . . ?
F23 C54 C51 109.3(2) . . ?
F24 C54 F23 99.4(3) . . ?
F24 C54 C51 115.4(2) . . ?
F3AA C54 C51 107.0(2) . . ?
F1AA C54 C51 116.3(3) . . ?
F1AA C54 F3AA 97.8(4) . . ?
F2AA C54 C51 116.1(3) . . ?
F2AA C54 F3AA 99.8(4) . . ?
F2AA C54 F1AA 115.8(5) . . ?
C23 B1 C31 114.68(15) . . ?
C23 B1 C39 102.61(15) . . ?
C23 B1 C47 113.23(15) . . ?
C31 B1 C39 110.52(14) . . ?
C31 B1 C47 103.28(14) . . ?
C39 B1 C47 112.86(15) . . ?
C24A C23A C28A 115.69(17) . . ?
C24A C23A B1A 123.43(16) . . ?
C28A C23A B1A 119.86(15) . . ?
C23A C24A H24A 119.0 . . ?
C25A C24A C23A 122.03(18) . . ?
C25A C24A H24A 119.0 . . ?
C24A C25A C29A 118.64(18) . . ?
C26A C25A C24A 121.14(17) . . ?
C26A C25A C29A 120.12(18) . . ?
C25A C26A H26A 121.0 . . ?
C25A C26A C27A 117.98(18) . . ?
C27A C26A H26A 121.0 . . ?
C26A C27A C30A 121.20(17) . . ?
C28A C27A C26A 120.62(18) . . ?
C28A C27A C30A 118.12(17) . . ?
C23A C28A H28A 118.7 . . ?
C27A C28A C23A 122.53(17) . . ?
C27A C28A H28A 118.7 . . ?
F1A C29A F2A 104.89(19) . . ?
F1A C29A C25A 111.88(17) . . ?
F2A C29A C25A 113.00(18) . . ?
F3A C29A F1A 107.5(2) . . ?
F3A C29A F2A 105.93(19) . . ?
F3A C29A C25A 113.05(19) . . ?
F4A C30A F5A 107.20(18) . . ?
F4A C30A F6A 106.52(18) . . ?
F4A C30A C27A 113.47(17) . . ?
F5A C30A F6A 104.76(17) . . ?
F5A C30A C27A 112.52(17) . . ?
F6A C30A C27A 111.80(17) . . ?
C32A C31A B1A 122.54(15) . . ?
C36A C31A C32A 115.83(16) . . ?
C36A C31A B1A 121.36(15) . . ?
C31A C32A H32A 118.9 . . ?
C33A C32A C31A 122.21(17) . . ?
C33A C32A H32A 118.9 . . ?
C32A C33A C34A 120.91(17) . . ?
C32A C33A C37A 119.41(17) . . ?
C34A C33A C37A 119.67(17) . . ?
C33A C34A H34A 121.1 . . ?
C35A C34A C33A 117.75(17) . . ?
C35A C34A H34A 121.1 . . ?
C34A C35A C36A 121.00(17) . . ?
C34A C35A C38A 119.91(17) . . ?
C36A C35A C38A 119.09(17) . . ?
C31A C36A H36A 118.9 . . ?
C35A C36A C31A 122.27(17) . . ?
C35A C36A H36A 118.9 . . ?
F7A C37A C33A 111.2(2) . . ?
F8A C37A F7A 103.0(3) . . ?
F8A C37A F9A 109.6(3) . . ?
F8A C37A C33A 114.7(2) . . ?
F9A C37A F7A 104.3(3) . . ?
F9A C37A C33A 113.1(2) . . ?
F7B C37A C33A 113.2(3) . . ?
F7B C37A F8B 105.5(4) . . ?
F7B C37A F9B 107.5(4) . . ?
F8B C37A C33A 109.5(3) . . ?
F9B C37A C33A 115.4(3) . . ?
F9B C37A F8B 105.0(4) . . ?
F10A C38A F11A 106.03(18) . . ?
F10A C38A F12A 107.5(2) . . ?
F10A C38A C35A 112.97(17) . . ?
F11A C38A F12A 105.74(19) . . ?
F11A C38A C35A 112.29(19) . . ?
F12A C38A C35A 111.86(17) . . ?
C40A C39A B1A 121.41(16) . . ?
C44A C39A C40A 116.08(17) . . ?
C44A C39A B1A 121.52(16) . . ?
C39A C40A H40A 119.0 . . ?
C41A C40A C39A 122.07(18) . . ?
C41A C40A H40A 119.0 . . ?
C40A C41A C45A 119.9(2) . . ?
C42A C41A C40A 120.87(18) . . ?
C42A C41A C45A 119.18(19) . . ?
C41A C42A H42A 121.0 . . ?
C41A C42A C43A 118.08(19) . . ?
C43A C42A H42A 121.0 . . ?
C42A C43A C44A 121.15(19) . . ?
C42A C43A C46A 118.8(2) . . ?
C44A C43A C46A 120.1(2) . . ?
C39A C44A H44A 119.1 . . ?
C43A C44A C39A 121.75(18) . . ?
C43A C44A H44A 119.1 . . ?
F13A C45A F14A 103.0(8) . . ?
F13A C45A C41A 114.7(8) . . ?
F14A C45A C41A 107.7(4) . . ?
F15A C45A F13A 110.6(8) . . ?
F15A C45A F14A 103.6(4) . . ?
F15A C45A C41A 115.7(4) . . ?
F13B C45A C41A 112.6(7) . . ?
F13B C45A F15B 103.3(7) . . ?
F14B C45A C41A 116.2(4) . . ?
F14B C45A F13B 111.8(7) . . ?
F14B C45A F15B 104.9(4) . . ?
F15B C45A C41A 106.7(3) . . ?
F16A C46A F17A 107.8(4) . . ?
F16A C46A F18A 109.5(5) . . ?
F16A C46A C43A 124.8(4) . . ?
F18A C46A F17A 93.7(5) . . ?
F18A C46A C43A 107.1(4) . . ?
C43A C46A F17A 109.5(2) . . ?
C43A C46A F16B 102.8(3) . . ?
F17B C46A C43A 112.7(2) . . ?
F17B C46A F16B 92.7(4) . . ?
F18B C46A C43A 121.9(5) . . ?
F18B C46A F16B 99.9(6) . . ?
F18B C46A F17B 118.8(5) . . ?
C48A C47A C52A 115.76(17) . . ?
C48A C47A B1A 121.21(16) . . ?
C52A C47A B1A 122.76(16) . . ?
C47A C48A H48A 118.9 . . ?
C49A C48A C47A 122.22(18) . . ?
C49A C48A H48A 118.9 . . ?
C48A C49A C53A 119.5(2) . . ?
C50A C49A C48A 120.89(19) . . ?
C50A C49A C53A 119.6(2) . . ?
C49A C50A H50A 121.0 . . ?
C51A C50A C49A 118.05(18) . . ?
C51A C50A H50A 121.0 . . ?
C50A C51A C52A 120.96(19) . . ?
C50A C51A C54A 120.59(19) . . ?
C52A C51A C54A 118.4(2) . . ?
C47A C52A H52A 118.9 . . ?
C51A C52A C47A 122.10(18) . . ?
C51A C52A H52A 118.9 . . ?
F22A C53A F24A 99.8(3) . . ?
F22A C53A C49A 113.0(2) . . ?
F23A C53A F22A 112.4(4) . . ?
F23A C53A F24A 104.6(4) . . ?
F23A C53A C49A 115.2(4) . . ?
F24A C53A C49A 110.3(2) . . ?
F22B C53A C49A 118.2(4) . . ?
F22B C53A F23B 109.6(6) . . ?
F22B C53A F24B 109.1(7) . . ?
F23B C53A C49A 108.2(3) . . ?
F24B C53A C49A 112.2(5) . . ?
F24B C53A F23B 97.6(5) . . ?
F19A C54A C51A 112.6(2) . . ?
F20A C54A F19A 104.31(19) . . ?
F20A C54A C51A 111.8(2) . . ?
F21A C54A F19A 108.0(2) . . ?
F21A C54A F20A 107.1(2) . . ?
F21A C54A C51A 112.58(19) . . ?
C23A B1A C39A 100.61(14) . . ?
C31A B1A C23A 112.27(15) . . ?
C31A B1A C39A 112.94(14) . . ?
C47A B1A C23A 113.27(14) . . ?
C47A B1A C31A 104.98(15) . . ?
C47A B1A C39A 113.07(15) . . ?
Rh1 C1B H1BA 73.3 . . ?
Rh1 C1B H1BB 129.0 . . ?
H1BA C1B H1BB 120.0 . . ?
C2B C1B Rh1 70.0(5) . . ?
C2B C1B H1BA 120.0 . . ?
C2B C1B H1BB 120.0 . . ?
Rh1 C2B H2B 126.9 . . ?
C1B C2B Rh1 75.1(5) . . ?
C1B C2B H2B 119.1 . . ?
C1B C2B C3B 121.8(10) . . ?
C3B C2B Rh1 70.9(5) . . ?
C3B C2B H2B 119.1 . . ?
Rh1 C3B H3B 127.1 . . ?
C2B C3B Rh1 70.6(5) . . ?
C2B C3B H3B 120.2 . . ?
C4B C3B Rh1 74.0(6) . . ?
C4B C3B C2B 119.5(11) . . ?
C4B C3B H3B 120.2 . . ?
Rh1 C4B H4BA 73.1 . . ?
Rh1 C4B H4BB 128.5 . . ?
C3B C4B Rh1 70.6(6) . . ?
C3B C4B H4BA 120.0 . . ?
C3B C4B H4BB 120.0 . . ?
H4BA C4B H4BB 120.0 . . ?
Rh1A C4C H4CA 75.1 . . ?
Rh1A C4C H4CB 130.4 . . ?
H4CA C4C H4CB 120.0 . . ?
C3C C4C Rh1A 67.0(6) . . ?
C3C C4C H4CA 120.0 . . ?
C3C C4C H4CB 120.0 . . ?
Rh1A C3C H3C 119.7 . . ?
C4C C3C Rh1A 76.6(7) . . ?
C4C C3C H3C 119.7 . . ?
C4C C3C C2C 120.2(12) . . ?
C2C C3C Rh1A 68.8(6) . . ?
C2C C3C H3C 119.7 . . ?
Rh1A C2C H2C 118.9 . . ?
C3C C2C Rh1A 72.1(6) . . ?
C3C C2C H2C 118.9 . . ?
C1C C2C Rh1A 75.6(4) . . ?
C1C C2C C3C 121.9(9) . . ?
C1C C2C H2C 118.9 . . ?
Rh1A C1C H1CA 75.9 . . ?
Rh1A C1C H1CB 127.9 . . ?
C2C C1C Rh1A 68.3(4) . . ?
C2C C1C H1CA 120.0 . . ?
C2C C1C H1CB 120.0 . . ?
H1CA C1C H1CB 120.0 . . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C5 C6 -30.25(18) . . . . ?
Rh1 P1 C7 C8 83.79(19) . . . . ?
Rh1 P1 C7 C9 -153.00(18) . . . . ?
Rh1 P1 C7 C10 -33.9(2) . . . . ?
Rh1 P1 C11 C12 -176.07(16) . . . . ?
Rh1 P1 C11 C13 64.15(19) . . . . ?
Rh1 P1 C11 C14 -52.2(2) . . . . ?
Rh1 P2 C6 C5 -31.45(17) . . . . ?
Rh1 P2 C15 C16 67.76(18) . . . . ?
Rh1 P2 C15 C17 -172.91(16) . . . . ?
Rh1 P2 C15 C18 -48.93(19) . . . . ?
Rh1 P2 C19 C20 -157.89(14) . . . . ?
Rh1 P2 C19 C21 -38.81(17) . . . . ?
Rh1 P2 C19 C22 78.73(19) . . . . ?
Rh1 C1 C2 C3 -56.4(3) . . . . ?
Rh1 C2 C3 C4 -57.2(4) . . . . ?
Rh1 C1B C2B C3B -55.7(7) . . . . ?
Rh1 C2B C3B C4B -57.7(8) . . . . ?
P1 C5 C6 P2 40.7(2) . . . . ?
C1 C2 C3 Rh1 58.0(4) . . . . ?
C1 C2 C3 C4 0.8(6) . . . . ?
C2 C3 C4 Rh1 55.1(3) . . . . ?
C5 P1 C7 C8 -160.54(19) . . . . ?
C5 P1 C7 C9 -37.3(2) . . . . ?
C5 P1 C7 C10 81.8(2) . . . . ?
C5 P1 C11 C12 66.3(2) . . . . ?
C5 P1 C11 C13 -53.5(2) . . . . ?
C5 P1 C11 C14 -169.87(19) . . . . ?
C6 P2 C15 C16 -50.72(19) . . . . ?
C6 P2 C15 C17 68.6(2) . . . . ?
C6 P2 C15 C18 -167.41(17) . . . . ?
C6 P2 C19 C20 -42.71(18) . . . . ?
C6 P2 C19 C21 76.36(17) . . . . ?
C6 P2 C19 C22 -166.10(18) . . . . ?
C7 P1 C5 C6 -151.30(17) . . . . ?
C7 P1 C11 C12 -44.0(2) . . . . ?
C7 P1 C11 C13 -163.83(18) . . . . ?
C7 P1 C11 C14 79.8(2) . . . . ?
C11 P1 C5 C6 93.22(18) . . . . ?
C11 P1 C7 C8 -48.8(2) . . . . ?
C11 P1 C7 C9 74.4(2) . . . . ?
C11 P1 C7 C10 -166.50(18) . . . . ?
C15 P2 C6 C5 93.32(17) . . . . ?
C15 P2 C19 C20 68.76(19) . . . . ?
C15 P2 C19 C21 -172.16(16) . . . . ?
C15 P2 C19 C22 -54.6(2) . . . . ?
C19 P2 C6 C5 -151.12(16) . . . . ?
C19 P2 C15 C16 -160.58(17) . . . . ?
C19 P2 C15 C17 -41.3(2) . . . . ?
C19 P2 C15 C18 82.73(19) . . . . ?
Rh1A P1A C6A C5A -30.54(18) . . . . ?
Rh1A P1A C7A C8A -53.1(3) . . . . ?
Rh1A P1A C7A C9A 64.6(3) . . . . ?
Rh1A P1A C7A C10A -176.8(2) . . . . ?
Rh1A P1A C11A C12A 83.0(2) . . . . ?
Rh1A P1A C11A C13A -35.3(2) . . . . ?
Rh1A P1A C11A C14A -153.6(2) . . . . ?
Rh1A P2A C5A C6A -30.62(18) . . . . ?
Rh1A P2A C15A C16A -49.9(2) . . . . ?
Rh1A P2A C15A C17A -173.88(16) . . . . ?
Rh1A P2A C15A C18A 66.4(2) . . . . ?
Rh1A P2A C19A C20A -37.16(19) . . . . ?
Rh1A P2A C19A C21A 80.03(18) . . . . ?
Rh1A P2A C19A C22A -156.17(15) . . . . ?
Rh1A C1A C2A C3A -57.3(5) . . . . ?
Rh1A C2A C3A C4A -58.6(5) . . . . ?
Rh1A C4C C3C C2C 55.4(9) . . . . ?
Rh1A C3C C2C C1C 59.5(7) . . . . ?
P2A C5A C6A P1A 40.5(2) . . . . ?
C1A C2A C3A Rh1A 58.7(6) . . . . ?
C1A C2A C3A C4A 0.1(9) . . . . ?
C2A C3A C4A Rh1A 55.1(5) . . . . ?
C5A P2A C15A C16A -168.03(18) . . . . ?
C5A P2A C15A C17A 68.0(2) . . . . ?
C5A P2A C15A C18A -51.7(2) . . . . ?
C5A P2A C19A C20A 78.25(18) . . . . ?
C5A P2A C19A C21A -164.56(17) . . . . ?
C5A P2A C19A C22A -40.76(19) . . . . ?
C6A P1A C7A C8A -170.6(3) . . . . ?
C6A P1A C7A C9A -52.8(3) . . . . ?
C6A P1A C7A C10A 65.7(3) . . . . ?
C6A P1A C11A C12A -161.6(2) . . . . ?
C6A P1A C11A C13A 80.2(2) . . . . ?
C6A P1A C11A C14A -38.2(2) . . . . ?
C7A P1A C6A C5A 93.01(19) . . . . ?
C7A P1A C11A C12A -50.1(3) . . . . ?
C7A P1A C11A C13A -168.3(2) . . . . ?
C7A P1A C11A C14A 73.3(3) . . . . ?
C11A P1A C6A C5A -151.97(17) . . . . ?
C11A P1A C7A C8A 79.6(3) . . . . ?
C11A P1A C7A C9A -162.7(3) . . . . ?
C11A P1A C7A C10A -44.1(3) . . . . ?
C15A P2A C5A C6A 93.90(18) . . . . ?
C15A P2A C19A C20A -170.34(17) . . . . ?
C15A P2A C19A C21A -53.2(2) . . . . ?
C15A P2A C19A C22A 70.6(2) . . . . ?
C19A P2A C5A C6A -151.07(17) . . . . ?
C19A P2A C15A C16A 81.9(2) . . . . ?
C19A P2A C15A C17A -42.0(2) . . . . ?
C19A P2A C15A C18A -161.72(19) . . . . ?
C23 C24 C25 C26 -0.3(3) . . . . ?
C23 C24 C25 C29 177.8(2) . . . . ?
C24 C23 C28 C27 -0.4(3) . . . . ?
C24 C23 B1 C31 158.07(17) . . . . ?
C24 C23 B1 C39 -82.1(2) . . . . ?
C24 C23 B1 C47 39.9(2) . . . . ?
C24 C25 C26 C27 -0.2(3) . . . . ?
C24 C25 C29 F1 163.9(2) . . . . ?
C24 C25 C29 F2 -80.0(3) . . . . ?
C24 C25 C29 F3 40.9(4) . . . . ?
C25 C26 C27 C28 0.4(3) . . . . ?
C25 C26 C27 C30 -178.7(2) . . . . ?
C26 C25 C29 F1 -18.0(3) . . . . ?
C26 C25 C29 F2 98.1(3) . . . . ?
C26 C25 C29 F3 -140.9(3) . . . . ?
C26 C27 C28 C23 -0.1(3) . . . . ?
C26 C27 C30 F4 177.3(5) . . . . ?
C26 C27 C30 F5 61.0(4) . . . . ?
C26 C27 C30 F6 -52.6(5) . . . . ?
C26 C27 C30 F5BA 87.8(9) . . . . ?
C26 C27 C30 F6BA -38.5(8) . . . . ?
C26 C27 C30 F4BA -146.3(6) . . . . ?
C28 C23 C24 C25 0.6(3) . . . . ?
C28 C23 B1 C31 -31.9(3) . . . . ?
C28 C23 B1 C39 88.0(2) . . . . ?
C28 C23 B1 C47 -150.04(18) . . . . ?
C28 C27 C30 F4 -1.8(6) . . . . ?
C28 C27 C30 F5 -118.1(3) . . . . ?
C28 C27 C30 F6 128.3(4) . . . . ?
C28 C27 C30 F5BA -91.3(9) . . . . ?
C28 C27 C30 F6BA 142.4(7) . . . . ?
C28 C27 C30 F4BA 34.7(7) . . . . ?
C29 C25 C26 C27 -178.3(2) . . . . ?
C30 C27 C28 C23 178.9(2) . . . . ?
C31 C32 C33 C34 1.4(3) . . . . ?
C31 C32 C33 C37 -179.8(2) . . . . ?
C32 C31 C36 C35 0.1(3) . . . . ?
C32 C31 B1 C23 -35.8(2) . . . . ?
C32 C31 B1 C39 -151.19(17) . . . . ?
C32 C31 B1 C47 87.8(2) . . . . ?
C32 C33 C34 C35 -0.5(3) . . . . ?
C32 C33 C37 F7 7.7(4) . . . . ?
C32 C33 C37 F8 -119.9(3) . . . . ?
C32 C33 C37 F9 128.4(2) . . . . ?
C32 C33 C37 F6AA -47.3(7) . . . . ?
C32 C33 C37 F7AA -162.5(10) . . . . ?
C32 C33 C37 F8AA 62.8(9) . . . . ?
C33 C34 C35 C36 -0.6(3) . . . . ?
C33 C34 C35 C38 177.33(19) . . . . ?
C34 C33 C37 F7 -173.5(3) . . . . ?
C34 C33 C37 F8 58.9(4) . . . . ?
C34 C33 C37 F9 -52.8(3) . . . . ?
C34 C33 C37 F6AA 131.5(7) . . . . ?
C34 C33 C37 F7AA 16.4(11) . . . . ?
C34 C33 C37 F8AA -118.3(9) . . . . ?
C34 C35 C36 C31 0.8(3) . . . . ?
C34 C35 C38 F10 -108.5(2) . . . . ?
C34 C35 C38 F11 133.2(2) . . . . ?
C34 C35 C38 F12 12.1(3) . . . . ?
C36 C31 C32 C33 -1.2(3) . . . . ?
C36 C31 B1 C23 152.09(16) . . . . ?
C36 C31 B1 C39 36.7(2) . . . . ?
C36 C31 B1 C47 -84.24(19) . . . . ?
C36 C35 C38 F10 69.5(2) . . . . ?
C36 C35 C38 F11 -48.8(3) . . . . ?
C36 C35 C38 F12 -169.96(17) . . . . ?
C37 C33 C34 C35 -179.3(2) . . . . ?
C38 C35 C36 C31 -177.21(17) . . . . ?
C39 C40 C41 C42 0.4(3) . . . . ?
C39 C40 C41 C45 178.62(19) . . . . ?
C40 C39 C44 C43 -0.7(3) . . . . ?
C40 C39 B1 C23 -79.91(19) . . . . ?
C40 C39 B1 C31 42.8(2) . . . . ?
C40 C39 B1 C47 157.90(16) . . . . ?
C40 C41 C42 C43 -1.1(3) . . . . ?
C40 C41 C45 F13 156.68(19) . . . . ?
C40 C41 C45 F14 35.6(3) . . . . ?
C40 C41 C45 F15 -83.5(2) . . . . ?
C41 C42 C43 C44 0.9(3) . . . . ?
C41 C42 C43 C46 -176.86(19) . . . . ?
C42 C41 C45 F13 -25.1(3) . . . . ?
C42 C41 C45 F14 -146.1(2) . . . . ?
C42 C41 C45 F15 94.7(2) . . . . ?
C42 C43 C44 C39 0.0(3) . . . . ?
C42 C43 C46 F16 114.0(3) . . . . ?
C42 C43 C46 F17 -130.1(3) . . . . ?
C42 C43 C46 F18 -7.1(4) . . . . ?
C42 C43 C46 F9AA 78.4(10) . . . . ?
C42 C43 C46 F0BA -152.3(8) . . . . ?
C42 C43 C46 F1BA -37.5(7) . . . . ?
C44 C39 C40 C41 0.5(3) . . . . ?
C44 C39 B1 C23 92.1(2) . . . . ?
C44 C39 B1 C31 -145.18(17) . . . . ?
C44 C39 B1 C47 -30.1(2) . . . . ?
C44 C43 C46 F16 -63.8(3) . . . . ?
C44 C43 C46 F17 52.1(4) . . . . ?
C44 C43 C46 F18 175.1(4) . . . . ?
C44 C43 C46 F9AA -99.4(10) . . . . ?
C44 C43 C46 F0BA 29.9(8) . . . . ?
C44 C43 C46 F1BA 144.7(7) . . . . ?
C45 C41 C42 C43 -179.30(19) . . . . ?
C46 C43 C44 C39 177.81(19) . . . . ?
C47 C48 C49 C50 -1.3(3) . . . . ?
C47 C48 C49 C53 176.4(2) . . . . ?
C48 C47 C52 C51 -0.4(3) . . . . ?
C48 C47 B1 C23 27.9(2) . . . . ?
C48 C47 B1 C31 -96.7(2) . . . . ?
C48 C47 B1 C39 143.96(18) . . . . ?
C48 C49 C50 C51 0.2(3) . . . . ?
C48 C49 C53 F19 -77.3(4) . . . . ?
C48 C49 C53 F20 172.8(4) . . . . ?
C48 C49 C53 F21 40.9(5) . . . . ?
C48 C49 C53 F0AA -109.1(6) . . . . ?
C48 C49 C53 F4AA 129.9(5) . . . . ?
C48 C49 C53 F5AA 20.8(6) . . . . ?
C49 C50 C51 C52 0.7(3) . . . . ?
C49 C50 C51 C54 179.5(2) . . . . ?
C50 C49 C53 F19 100.4(4) . . . . ?
C50 C49 C53 F20 -9.5(5) . . . . ?
C50 C49 C53 F21 -141.4(4) . . . . ?
C50 C49 C53 F0AA 68.6(7) . . . . ?
C50 C49 C53 F4AA -52.4(5) . . . . ?
C50 C49 C53 F5AA -161.5(6) . . . . ?
C50 C51 C52 C47 -0.6(3) . . . . ?
C50 C51 C54 F22 -57.1(4) . . . . ?
C50 C51 C54 F23 52.0(3) . . . . ?
C50 C51 C54 F24 163.0(4) . . . . ?
C50 C51 C54 F3AA -127.2(3) . . . . ?
C50 C51 C54 F1AA -19.1(5) . . . . ?
C50 C51 C54 F2AA 122.4(5) . . . . ?
C52 C47 C48 C49 1.3(3) . . . . ?
C52 C47 B1 C23 -159.20(17) . . . . ?
C52 C47 B1 C31 76.2(2) . . . . ?
C52 C47 B1 C39 -43.2(2) . . . . ?
C52 C51 C54 F22 121.8(4) . . . . ?
C52 C51 C54 F23 -129.2(3) . . . . ?
C52 C51 C54 F24 -18.2(5) . . . . ?
C52 C51 C54 F3AA 51.7(3) . . . . ?
C52 C51 C54 F1AA 159.7(5) . . . . ?
C52 C51 C54 F2AA -58.7(5) . . . . ?
C53 C49 C50 C51 -177.5(2) . . . . ?
C54 C51 C52 C47 -179.4(2) . . . . ?
B1 C23 C24 C25 171.31(18) . . . . ?
B1 C23 C28 C27 -170.91(19) . . . . ?
B1 C31 C32 C33 -173.64(18) . . . . ?
B1 C31 C36 C35 172.80(17) . . . . ?
B1 C39 C40 C41 173.10(17) . . . . ?
B1 C39 C44 C43 -173.06(17) . . . . ?
B1 C47 C48 C49 174.49(18) . . . . ?
B1 C47 C52 C51 -173.80(18) . . . . ?
C23A C24A C25A C26A -0.5(3) . . . . ?
C23A C24A C25A C29A 175.73(17) . . . . ?
C24A C23A C28A C27A 0.7(3) . . . . ?
C24A C23A B1A C31A -150.05(17) . . . . ?
C24A C23A B1A C39A 89.61(19) . . . . ?
C24A C23A B1A C47A -31.4(2) . . . . ?
C24A C25A C26A C27A 1.1(3) . . . . ?
C24A C25A C29A F1A -67.1(3) . . . . ?
C24A C25A C29A F2A 51.0(3) . . . . ?
C24A C25A C29A F3A 171.3(2) . . . . ?
C25A C26A C27A C28A -0.8(3) . . . . ?
C25A C26A C27A C30A 176.58(18) . . . . ?
C26A C25A C29A F1A 109.2(2) . . . . ?
C26A C25A C29A F2A -132.7(2) . . . . ?
C26A C25A C29A F3A -12.4(3) . . . . ?
C26A C27A C28A C23A -0.1(3) . . . . ?
C26A C27A C30A F4A 2.5(3) . . . . ?
C26A C27A C30A F5A 124.4(2) . . . . ?
C26A C27A C30A F6A -118.0(2) . . . . ?
C28A C23A C24A C25A -0.4(3) . . . . ?
C28A C23A B1A C31A 42.0(2) . . . . ?
C28A C23A B1A C39A -78.31(19) . . . . ?
C28A C23A B1A C47A 160.73(16) . . . . ?
C28A C27A C30A F4A 179.93(18) . . . . ?
C28A C27A C30A F5A -58.1(2) . . . . ?
C28A C27A C30A F6A 59.4(2) . . . . ?
C29A C25A C26A C27A -175.11(18) . . . . ?
C30A C27A C28A C23A -177.56(17) . . . . ?
C31A C32A C33A C34A -1.6(3) . . . . ?
C31A C32A C33A C37A 177.98(18) . . . . ?
C32A C31A C36A C35A 0.0(3) . . . . ?
C32A C31A B1A C23A 28.2(2) . . . . ?
C32A C31A B1A C39A 141.07(17) . . . . ?
C32A C31A B1A C47A -95.31(19) . . . . ?
C32A C33A C34A C35A 0.3(3) . . . . ?
C32A C33A C37A F7A 95.2(4) . . . . ?
C32A C33A C37A F8A -21.1(4) . . . . ?
C32A C33A C37A F9A -147.8(4) . . . . ?
C32A C33A C37A F7B 48.6(5) . . . . ?
C32A C33A C37A F8B -68.8(5) . . . . ?
C32A C33A C37A F9B 173.1(5) . . . . ?
C33A C34A C35A C36A 1.2(3) . . . . ?
C33A C34A C35A C38A -178.88(18) . . . . ?
C34A C33A C37A F7A -85.2(4) . . . . ?
C34A C33A C37A F8A 158.5(4) . . . . ?
C34A C33A C37A F9A 31.8(4) . . . . ?
C34A C33A C37A F7B -131.9(5) . . . . ?
C34A C33A C37A F8B 110.8(5) . . . . ?
C34A C33A C37A F9B -7.4(5) . . . . ?
C34A C35A C36A C31A -1.3(3) . . . . ?
C34A C35A C38A F10A 16.7(3) . . . . ?
C34A C35A C38A F11A -103.2(2) . . . . ?
C34A C35A C38A F12A 138.1(2) . . . . ?
C36A C31A C32A C33A 1.4(3) . . . . ?
C36A C31A B1A C23A -158.08(16) . . . . ?
C36A C31A B1A C39A -45.2(2) . . . . ?
C36A C31A B1A C47A 78.5(2) . . . . ?
C36A C35A C38A F10A -163.34(19) . . . . ?
C36A C35A C38A F11A 76.8(2) . . . . ?
C36A C35A C38A F12A -41.9(3) . . . . ?
C37A C33A C34A C35A -179.31(18) . . . . ?
C38A C35A C36A C31A 178.72(18) . . . . ?
C39A C40A C41A C42A -0.6(3) . . . . ?
C39A C40A C41A C45A 177.6(2) . . . . ?
C40A C39A C44A C43A 0.9(3) . . . . ?
C40A C39A B1A C23A -81.4(2) . . . . ?
C40A C39A B1A C31A 158.78(17) . . . . ?
C40A C39A B1A C47A 39.7(2) . . . . ?
C40A C41A C42A C43A 1.1(3) . . . . ?
C40A C41A C45A F13A 14.8(9) . . . . ?
C40A C41A C45A F14A 128.8(5) . . . . ?
C40A C41A C45A F15A -115.8(7) . . . . ?
C40A C41A C45A F13B 26.3(7) . . . . ?
C40A C41A C45A F14B 157.1(6) . . . . ?
C40A C41A C45A F15B -86.4(5) . . . . ?
C41A C42A C43A C44A -0.6(4) . . . . ?
C41A C42A C43A C46A 179.7(3) . . . . ?
C42A C41A C45A F13A -167.0(8) . . . . ?
C42A C41A C45A F14A -52.9(5) . . . . ?
C42A C41A C45A F15A 62.4(7) . . . . ?
C42A C41A C45A F13B -155.5(7) . . . . ?
C42A C41A C45A F14B -24.7(7) . . . . ?
C42A C41A C45A F15B 91.9(5) . . . . ?
C42A C43A C44A C39A -0.5(4) . . . . ?
C42A C43A C46A F16A 82.4(5) . . . . ?
C42A C43A C46A F17A -147.8(3) . . . . ?
C42A C43A C46A F18A -47.3(6) . . . . ?
C42A C43A C46A F16B 61.4(3) . . . . ?
C42A C43A C46A F17B 159.9(4) . . . . ?
C42A C43A C46A F18B -49.1(9) . . . . ?
C44A C39A C40A C41A -0.4(3) . . . . ?
C44A C39A B1A C23A 86.8(2) . . . . ?
C44A C39A B1A C31A -33.1(2) . . . . ?
C44A C39A B1A C47A -152.12(18) . . . . ?
C44A C43A C46A F16A -97.3(5) . . . . ?
C44A C43A C46A F17A 32.5(4) . . . . ?
C44A C43A C46A F18A 133.0(5) . . . . ?
C44A C43A C46A F16B -118.3(3) . . . . ?
C44A C43A C46A F17B -19.8(5) . . . . ?
C44A C43A C46A F18B 131.2(8) . . . . ?
C45A C41A C42A C43A -177.1(2) . . . . ?
C46A C43A C44A C39A 179.2(3) . . . . ?
C47A C48A C49A C50A 0.0(3) . . . . ?
C47A C48A C49A C53A -178.5(2) . . . . ?
C48A C47A C52A C51A 0.8(3) . . . . ?
C48A C47A B1A C23A -40.9(2) . . . . ?
C48A C47A B1A C31A 81.9(2) . . . . ?
C48A C47A B1A C39A -154.52(17) . . . . ?
C48A C49A C50A C51A 0.9(3) . . . . ?
C48A C49A C53A F22A 62.6(4) . . . . ?
C48A C49A C53A F23A -166.2(4) . . . . ?
C48A C49A C53A F24A -48.1(3) . . . . ?
C48A C49A C53A F22B -11.8(7) . . . . ?
C48A C49A C53A F23B 113.5(5) . . . . ?
C48A C49A C53A F24B -140.0(5) . . . . ?
C49A C50A C51A C52A -0.9(3) . . . . ?
C49A C50A C51A C54A -179.7(2) . . . . ?
C50A C49A C53A F22A -115.9(4) . . . . ?
C50A C49A C53A F23A 15.2(5) . . . . ?
C50A C49A C53A F24A 133.3(3) . . . . ?
C50A C49A C53A F22B 169.7(7) . . . . ?
C50A C49A C53A F23B -65.1(5) . . . . ?
C50A C49A C53A F24B 41.4(6) . . . . ?
C50A C51A C52A C47A 0.1(3) . . . . ?
C50A C51A C54A F19A -9.0(3) . . . . ?
C50A C51A C54A F20A 108.0(2) . . . . ?
C50A C51A C54A F21A -131.4(3) . . . . ?
C52A C47A C48A C49A -0.8(3) . . . . ?
C52A C47A B1A C23A 145.30(17) . . . . ?
C52A C47A B1A C31A -91.9(2) . . . . ?
C52A C47A B1A C39A 31.7(2) . . . . ?
C52A C51A C54A F19A 172.17(19) . . . . ?
C52A C51A C54A F20A -70.8(3) . . . . ?
C52A C51A C54A F21A 49.8(3) . . . . ?
C53A C49A C50A C51A 179.4(2) . . . . ?
C54A C51A C52A C47A 178.90(19) . . . . ?
B1A C23A C24A C25A -168.74(17) . . . . ?
B1A C23A C28A C27A 169.51(17) . . . . ?
B1A C31A C32A C33A 175.50(17) . . . . ?
B1A C31A C36A C35A -174.14(17) . . . . ?
B1A C39A C40A C41A 168.31(18) . . . . ?
B1A C39A C44A C43A -167.8(2) . . . . ?
B1A C47A C48A C49A -175.07(18) . . . . ?
B1A C47A C52A C51A 174.90(17) . . . . ?
C1B C2B C3B Rh1 57.7(8) . . . . ?
C1B C2B C3B C4B 0.0(13) . . . . ?
C2B C3B C4B Rh1 56.0(7) . . . . ?
C4C C3C C2C Rh1A -59.1(10) . . . . ?
C4C C3C C2C C1C 0.4(15) . . . . ?
C3C C2C C1C Rh1A -57.8(8) . . . . ?
_shelx_res_file
;
TITL 271amm19.res in P2/n
271amm19.res
created by SHELXL-2018/1 at 15:20:32 on 18-Feb-2019
CELL 1.54184 17.593351 18.773562 35.332684 90 91.6093 90
ZERR 8 0.000072 0.0001 0.000138 0 0.0004 0
LATT 1
SYMM 0.5-X,+Y,0.5-Z
SFAC C H B F P Rh
UNIT 432 464 8 192 16 8
SADI 0.04 F24 F23 F2AA F1AA F3AA F1AA F22 F23
SADI C54 F24 C54 F2AA C54 F3AA C54 F22 C54 F1AA C54 F23
SADI 0.04 F22A F23A F22A F24A F23A F24A F22B F23B F22B F24B F23B F24B
SADI C53A F22A C53A F23A C53A F24A C53A F22B C53A F23B C53A F24B
SADI 0.04 F8B F9B F8B F7B F8A F9A F8A F7A F9B F7B F9A F7A
SADI C37A F8B C37A F8A C37A F9B C37A F9A C37A F7B C37A F7A
SADI 0.04 F16A F17A F16A F18A F17A F18A F16B F17B F16B F18B F17B F18B
SADI C46A F16A C46A F17A C46A F18A C46A F16B C46A F17B C46A F18B
SADI 0.04 F20 F21 F20 F19 F4AA F5AA F4AA F0AA F21 F19 F5AA F0AA
SADI C53 F20 C53 F4AA C53 F21 C53 F5AA C53 F19 C53 F0AA
SADI 0.04 F7 F8 F7 F9 F6AA F7AA F6AA F8AA F8 F9 F7AA F8AA
SADI C37 F7 C37 F6AA C37 F8 C37 F7AA C37 F9 C37 F8AA
SADI 0.04 F18 F17 F18 F16 F1BA F0BA F1BA F9AA F0BA F9AA F17 F16
SADI C46 F18 C46 F1BA C46 F0BA C46 F17 C46 F9AA C46 F16
SADI 0.04 F4 F5 F4 F6 F5 F6 F5BA F6BA F5BA F4BA F6BA F4BA
SADI C30 F4 C30 F5 C30 F6 C30 F5BA C30 F6BA C30 F4BA
SADI 0.04 F13A F14A F13A F15A F14A F15A F13B F14B F13B F15B F14B F15B
SADI C45A F13A C45A F14A C45A F15A C45A F13B C45A F14B C45A F15B
SIMU 0.01 0.01 2 F22 F23 F24 C54 F3AA F1AA F2AA
SIMU 0.01 0.01 2 F22A F23A F24A C53A F22B F23B F24B
SIMU 0.01 0.01 2 F7A F8A F9A C37A F7B F8B F9B
SIMU 0.01 0.01 2 F16A F17A F18A C46A F16B F17B F18B
SIMU 0.01 0.01 2 F19 F20 F21 C53 F0AA F4AA F5AA
SIMU 0.01 0.01 2 F7 F8 F9 C37 F6AA F7AA F8AA
SIMU 0.01 0.01 2 F16 F17 F18 C46 F9AA F0BA F1BA
SIMU 0.01 0.01 2 F4 F5 F6 C30 F5BA F6BA F4BA
SIMU 0.01 0.01 2 C1A C2A C3A C4A C4C C3C C2C C1C
SIMU 0.01 0.01 2 C1 C2 C3 C4 C1B C2B C3B C4B
SIMU 0.01 0.01 2 F13A F14A F15A C45A F13B F14B F15B
RIGU F22 F23 F24 C54 F3AA F1AA F2AA
RIGU F22A F23A F24A C53A F22B F23B F24B
RIGU F7A F8A F9A C37A F7B F8B F9B
RIGU F16A F17A F18A C46A F16B F17B F18B
RIGU F19 F20 F21 C53 F0AA F4AA F5AA
RIGU F7 F8 F9 C37 F6AA F7AA F8AA
RIGU F16 F17 F18 C46 F9AA F0BA F1BA
RIGU F4 F5 F6 C30 F5BA F6BA F4BA
RIGU C1A C2A C3A C4A C4C C3C C2C C1C
RIGU C1 C2 C3 C4 C1B C2B C3B C4B
RIGU F13A F14A F15A C45A F13B F14B F15B
L.S. 20 0 0
PLAN 20
SIZE 0.2 0.18 0.16
TEMP -123
conf
BOND $H
list 4
fmap 2 53
acta
REM
REM
REM
WGHT 0.043400 9.365500
FVAR 1.34040 0.57349 0.67073 0.57720 0.50912 0.67938 0.58004
FVAR 0.62530 0.82949 0.78509 0.67061 0.45217
RH1 6 0.511790 0.271507 0.421713 11.00000 0.03279 0.02663 =
0.02587 -0.00587 0.00235 -0.00227
P1 5 0.550818 0.304074 0.361615 11.00000 0.03353 0.02543 =
0.03077 -0.00294 0.00574 -0.00505
P2 5 0.452796 0.173922 0.393012 11.00000 0.02652 0.02249 =
0.02919 -0.00276 0.00384 -0.00183
PART 1
C1 1 0.560306 0.367324 0.451841 61.00000 0.07011 0.04270 =
0.04451 -0.01932 -0.00264 -0.01303
AFIX 93
H1A 2 0.507468 0.376854 0.448728 61.00000 -1.20000
H1B 2 0.596452 0.400889 0.443338 61.00000 -1.20000
AFIX 0
C2 1 0.584726 0.304274 0.468837 61.00000 0.06240 0.05855 =
0.03293 -0.01540 -0.00976 -0.00672
AFIX 13
H2 2 0.639992 0.291895 0.468571 61.00000 -1.20000
AFIX 0
C3 1 0.532058 0.252296 0.482042 61.00000 0.06373 0.05585 =
0.02265 -0.00530 -0.00598 -0.00035
AFIX 13
H3 2 0.551148 0.204734 0.490799 61.00000 -1.20000
AFIX 0
C4 1 0.454565 0.263727 0.477642 61.00000 0.05729 0.05540 =
0.02521 -0.00396 0.00938 -0.00139
AFIX 93
H4A 2 0.436238 0.306090 0.465850 61.00000 -1.20000
H4B 2 0.419721 0.229207 0.486414 61.00000 -1.20000
AFIX 0
PART 0
C5 1 0.501501 0.244192 0.327425 11.00000 0.04513 0.03378 =
0.02595 -0.00283 0.00150 -0.00734
AFIX 23
H5A 2 0.452953 0.266532 0.318982 11.00000 -1.20000
H5B 2 0.533258 0.238568 0.304928 11.00000 -1.20000
AFIX 0
C6 1 0.484877 0.170414 0.343779 11.00000 0.03808 0.02968 =
0.03109 -0.00747 0.00474 -0.00573
AFIX 23
H6A 2 0.531487 0.140985 0.342889 11.00000 -1.20000
H6B 2 0.445174 0.146962 0.327755 11.00000 -1.20000
AFIX 0
C7 1 0.518173 0.395765 0.345579 11.00000 0.05239 0.02855 =
0.04840 0.00382 0.00500 -0.00431
C8 1 0.571505 0.454501 0.360769 11.00000 0.06649 0.02808 =
0.07615 -0.00228 0.01196 -0.00955
AFIX 137
H8A 2 0.578382 0.449383 0.388255 11.00000 -1.50000
H8B 2 0.549283 0.501233 0.354944 11.00000 -1.50000
H8C 2 0.620899 0.450387 0.348808 11.00000 -1.50000
AFIX 0
C9 1 0.510386 0.403012 0.302381 11.00000 0.09258 0.04639 =
0.05480 0.01838 -0.00103 -0.00501
AFIX 137
H9A 2 0.560214 0.396179 0.291203 11.00000 -1.50000
H9B 2 0.491084 0.450572 0.295914 11.00000 -1.50000
H9C 2 0.474887 0.366912 0.292441 11.00000 -1.50000
AFIX 0
C10 1 0.439680 0.407815 0.362344 11.00000 0.05062 0.03369 =
0.07881 0.00681 0.00488 0.00688
AFIX 137
H10A 2 0.403113 0.374224 0.350902 11.00000 -1.50000
H10B 2 0.422933 0.456684 0.357052 11.00000 -1.50000
H10C 2 0.442869 0.400231 0.389785 11.00000 -1.50000
AFIX 0
C11 1 0.655382 0.292131 0.352720 11.00000 0.03559 0.03988 =
0.05317 -0.00392 0.01548 -0.00821
C12 1 0.678413 0.319220 0.313680 11.00000 0.06213 0.05008 =
0.06913 0.00038 0.03519 -0.01054
AFIX 137
H12A 2 0.644403 0.298796 0.294100 11.00000 -1.50000
H12B 2 0.730885 0.304868 0.309026 11.00000 -1.50000
H12C 2 0.674653 0.371289 0.312993 11.00000 -1.50000
AFIX 0
C13 1 0.672648 0.212188 0.355171 11.00000 0.03631 0.04478 =
0.06933 -0.00140 0.01707 0.00016
AFIX 137
H13A 2 0.656904 0.193852 0.379710 11.00000 -1.50000
H13B 2 0.727342 0.204449 0.352577 11.00000 -1.50000
H13C 2 0.644733 0.187164 0.334794 11.00000 -1.50000
AFIX 0
C14 1 0.704055 0.328502 0.383771 11.00000 0.03551 0.05831 =
0.08369 -0.00938 0.00509 -0.01542
AFIX 137
H14A 2 0.693640 0.379784 0.383632 11.00000 -1.50000
H14B 2 0.757997 0.320406 0.379055 11.00000 -1.50000
H14C 2 0.691641 0.308567 0.408476 11.00000 -1.50000
AFIX 0
C15 1 0.345383 0.176048 0.388845 11.00000 0.02711 0.03130 =
0.05018 -0.00017 0.00210 -0.00221
C16 1 0.323526 0.235231 0.360783 11.00000 0.03278 0.04399 =
0.07296 0.01003 -0.00598 0.00150
AFIX 137
H16A 2 0.348261 0.279789 0.368693 11.00000 -1.50000
H16B 2 0.268226 0.241652 0.360230 11.00000 -1.50000
H16C 2 0.340100 0.222134 0.335465 11.00000 -1.50000
AFIX 0
C17 1 0.309776 0.106677 0.374192 11.00000 0.03507 0.03922 =
0.07603 -0.00342 -0.00241 -0.01011
AFIX 137
H17A 2 0.334330 0.092317 0.350835 11.00000 -1.50000
H17B 2 0.255311 0.113962 0.369025 11.00000 -1.50000
H17C 2 0.316868 0.069294 0.393326 11.00000 -1.50000
AFIX 0
C18 1 0.311728 0.195634 0.426938 11.00000 0.03486 0.05453 =
0.06658 -0.00655 0.01876 -0.00137
AFIX 137
H18A 2 0.325554 0.159149 0.445736 11.00000 -1.50000
H18B 2 0.256231 0.198433 0.424146 11.00000 -1.50000
H18C 2 0.331848 0.241862 0.435325 11.00000 -1.50000
AFIX 0
C19 1 0.486675 0.085442 0.412865 11.00000 0.03855 0.02627 =
0.04532 0.00521 0.00686 0.00246
C20 1 0.473324 0.022523 0.385955 11.00000 0.04565 0.02390 =
0.07360 -0.00367 0.01100 -0.00156
AFIX 137
H20A 2 0.418583 0.014031 0.382624 11.00000 -1.50000
H20B 2 0.497819 -0.020136 0.396636 11.00000 -1.50000
H20C 2 0.495020 0.033382 0.361370 11.00000 -1.50000
AFIX 0
C21 1 0.573029 0.092113 0.420571 11.00000 0.03969 0.03438 =
0.05624 0.00438 -0.00195 0.00807
AFIX 137
H21A 2 0.599054 0.095038 0.396458 11.00000 -1.50000
H21B 2 0.591338 0.050311 0.434716 11.00000 -1.50000
H21C 2 0.583611 0.135232 0.435438 11.00000 -1.50000
AFIX 0
C22 1 0.449197 0.069259 0.450583 11.00000 0.06358 0.04625 =
0.05492 0.01975 0.01402 0.00447
AFIX 137
H22A 2 0.459309 0.108429 0.468354 11.00000 -1.50000
H22B 2 0.470144 0.024928 0.461161 11.00000 -1.50000
H22C 2 0.394189 0.064080 0.446334 11.00000 -1.50000
AFIX 0
RH1A 6 0.077183 0.246163 0.627520 11.00000 0.02959 0.02586 =
0.04287 -0.00043 0.00781 -0.00365
P1A 5 -0.042178 0.283644 0.605462 11.00000 0.03926 0.02914 =
0.03511 0.00395 -0.00085 -0.00070
P2A 5 0.016492 0.149378 0.654498 11.00000 0.03051 0.02543 =
0.02481 -0.00066 0.00390 -0.00167
PART 1
C1A 1 0.142194 0.341996 0.611128 71.00000 0.04831 0.04394 =
0.08063 0.01232 0.01053 -0.02097
AFIX 93
H1AA 2 0.135096 0.346977 0.637551 71.00000 -1.20000
H1AB 2 0.126657 0.379013 0.594290 71.00000 -1.20000
AFIX 0
C2A 1 0.173975 0.283028 0.597670 71.00000 0.04156 0.05946 =
0.07395 0.01066 0.02145 -0.01461
AFIX 13
H2A 2 0.174819 0.276073 0.569625 71.00000 -1.20000
AFIX 0
C3A 1 0.198665 0.225018 0.622097 71.00000 0.02800 0.05204 =
0.07000 -0.00191 0.01591 -0.00702
AFIX 13
H3A 2 0.215737 0.179141 0.610733 71.00000 -1.20000
AFIX 0
C4A 1 0.189511 0.229694 0.660427 71.00000 0.02739 0.05781 =
0.06824 -0.00378 0.00231 -0.00417
AFIX 93
H4AA 2 0.167001 0.270939 0.670934 71.00000 -1.20000
H4AB 2 0.205679 0.191688 0.676476 71.00000 -1.20000
AFIX 0
PART 0
C5A 1 -0.082873 0.150689 0.636558 11.00000 0.03199 0.03428 =
0.04127 0.00201 0.00002 -0.00813
AFIX 23
H5AA 2 -0.086841 0.121896 0.613112 11.00000 -1.20000
H5AB 2 -0.115536 0.128167 0.655533 11.00000 -1.20000
AFIX 0
C6A 1 -0.112543 0.225845 0.628111 11.00000 0.02884 0.03686 =
0.04590 0.00193 -0.00336 -0.00291
AFIX 23
H6AA 2 -0.127864 0.248222 0.652095 11.00000 -1.20000
H6AB 2 -0.158380 0.222371 0.611309 11.00000 -1.20000
AFIX 0
C7A 1 -0.061684 0.273490 0.553060 11.00000 0.09695 0.06032 =
0.03568 0.00967 -0.00620 0.01776
C8A 1 0.001544 0.309177 0.530526 11.00000 0.13179 0.15578 =
0.05369 0.05019 0.03149 0.04653
AFIX 137
H8AA 2 -0.000051 0.360824 0.534455 11.00000 -1.50000
H8AB 2 -0.006188 0.298668 0.503523 11.00000 -1.50000
H8AC 2 0.051121 0.290756 0.539255 11.00000 -1.50000
AFIX 0
C9A 1 -0.060862 0.193264 0.544948 11.00000 0.20371 0.07634 =
0.03386 -0.01687 -0.03176 0.05227
AFIX 137
H9AA 2 -0.012790 0.172802 0.554485 11.00000 -1.50000
H9AB 2 -0.065941 0.185293 0.517582 11.00000 -1.50000
H9AC 2 -0.103328 0.170420 0.557590 11.00000 -1.50000
AFIX 0
C10A 1 -0.139201 0.302648 0.539694 11.00000 0.11060 0.06342 =
0.05759 0.01075 -0.03542 0.00605
AFIX 137
H10D 2 -0.178850 0.283774 0.555851 11.00000 -1.50000
H10E 2 -0.149620 0.288058 0.513427 11.00000 -1.50000
H10F 2 -0.138725 0.354765 0.541252 11.00000 -1.50000
AFIX 0
C11A 1 -0.071262 0.376011 0.621427 11.00000 0.05015 0.02999 =
0.06434 0.00215 -0.00734 0.00492
C12A 1 -0.038172 0.434198 0.596439 11.00000 0.07982 0.03735 =
0.09596 0.01920 -0.01764 -0.00658
AFIX 137
H12D 2 0.017147 0.428603 0.595691 11.00000 -1.50000
H12E 2 -0.050302 0.481067 0.606885 11.00000 -1.50000
H12F 2 -0.060165 0.430197 0.570736 11.00000 -1.50000
AFIX 0
C13A 1 -0.038599 0.385541 0.661844 11.00000 0.07054 0.03667 =
0.06764 -0.01406 -0.00673 0.00878
AFIX 137
H13D 2 -0.062219 0.351006 0.678672 11.00000 -1.50000
H13E 2 -0.049213 0.433946 0.670636 11.00000 -1.50000
H13F 2 0.016490 0.377756 0.662033 11.00000 -1.50000
AFIX 0
C14A 1 -0.157711 0.386184 0.622707 11.00000 0.05674 0.04930 =
0.10058 -0.00433 -0.00524 0.01929
AFIX 137
H14D 2 -0.179781 0.383467 0.596971 11.00000 -1.50000
H14E 2 -0.168915 0.432869 0.633636 11.00000 -1.50000
H14F 2 -0.179637 0.348711 0.638330 11.00000 -1.50000
AFIX 0
C15A 1 0.009879 0.149573 0.707787 11.00000 0.05481 0.04581 =
0.02592 0.00128 0.00306 0.00828
C16A 1 0.088340 0.164480 0.726142 11.00000 0.08048 0.06338 =
0.03653 -0.00417 -0.01745 0.00434
AFIX 137
H16D 2 0.123094 0.125476 0.720258 11.00000 -1.50000
H16E 2 0.083711 0.168202 0.753647 11.00000 -1.50000
H16F 2 0.108329 0.209284 0.716244 11.00000 -1.50000
AFIX 0
C17A 1 -0.023037 0.080960 0.723880 11.00000 0.07283 0.05700 =
0.03430 0.01235 0.01516 0.00741
AFIX 137
H17D 2 -0.070934 0.069530 0.710401 11.00000 -1.50000
H17E 2 -0.032466 0.087456 0.750866 11.00000 -1.50000
H17F 2 0.013184 0.041905 0.720691 11.00000 -1.50000
AFIX 0
C18A 1 -0.042304 0.211505 0.717937 11.00000 0.08782 0.05782 =
0.02949 -0.00443 0.01334 0.02129
AFIX 137
H18D 2 -0.023527 0.255521 0.706581 11.00000 -1.50000
H18E 2 -0.042820 0.216858 0.745519 11.00000 -1.50000
H18F 2 -0.093984 0.201797 0.708212 11.00000 -1.50000
AFIX 0
C19A 1 0.052047 0.059775 0.637892 11.00000 0.04743 0.02680 =
0.03859 -0.00216 0.00825 0.00110
C20A 1 0.069056 0.068102 0.595669 11.00000 0.06574 0.03037 =
0.04482 -0.00778 0.01834 -0.00083
AFIX 137
H20D 2 0.021162 0.072458 0.581010 11.00000 -1.50000
H20E 2 0.096968 0.026235 0.587034 11.00000 -1.50000
H20F 2 0.099877 0.110919 0.592052 11.00000 -1.50000
AFIX 0
C21A 1 0.126244 0.039123 0.658710 11.00000 0.05337 0.04164 =
0.06241 -0.00052 0.00466 0.01438
AFIX 137
H21D 2 0.163344 0.077698 0.656365 11.00000 -1.50000
H21E 2 0.146480 -0.004506 0.647571 11.00000 -1.50000
H21F 2 0.116428 0.030950 0.685528 11.00000 -1.50000
AFIX 0
C22A 1 -0.005987 -0.000751 0.641808 11.00000 0.06761 0.02754 =
0.04857 0.00069 0.00673 -0.00647
AFIX 137
H22D 2 -0.016303 -0.008137 0.668636 11.00000 -1.50000
H22E 2 0.014628 -0.044654 0.631148 11.00000 -1.50000
H22F 2 -0.053303 0.011933 0.628136 11.00000 -1.50000
AFIX 0
F1 4 0.272771 0.476594 0.326773 11.00000 0.09375 0.06667 =
0.11484 0.02076 0.03184 -0.04252
F2 4 0.272549 0.375986 0.301384 11.00000 0.09526 0.08214 =
0.06444 0.01699 0.03967 0.00065
F3 4 0.177758 0.443063 0.292558 11.00000 0.06027 0.18905 =
0.12342 0.12766 -0.00490 -0.01285
PART 1
F4 4 0.181725 0.357941 0.484674 111.00000 0.08163 0.12364 =
0.03679 -0.00628 -0.00944 -0.05808
F5 4 0.213465 0.460212 0.464716 111.00000 0.06804 0.07263 =
0.06948 -0.03808 0.00772 -0.01943
F6 4 0.293461 0.375781 0.459279 111.00000 0.05516 0.07244 =
0.07578 -0.02959 -0.03095 -0.00167
F7 4 0.166269 0.093349 0.459560 91.00000 0.03163 0.08610 =
0.10791 0.06321 -0.00606 0.00297
F8 4 0.091659 0.002285 0.456265 91.00000 0.09308 0.04408 =
0.11217 -0.00007 -0.04953 0.02471
F9 4 0.090393 0.069063 0.503178 91.00000 0.08018 0.10938 =
0.04644 0.03155 -0.01872 0.01922
PART 0
F10 4 -0.211260 0.093482 0.411796 11.00000 0.03530 0.06594 =
0.05371 -0.00881 0.00271 -0.01953
F11 4 -0.218392 0.180216 0.450588 11.00000 0.04160 0.04226 =
0.07976 0.00074 0.02998 0.00448
F12 4 -0.187943 0.076312 0.470987 11.00000 0.05137 0.05009 =
0.05502 0.01717 0.02226 -0.00945
F13 4 -0.160698 0.517602 0.446834 11.00000 0.07668 0.03102 =
0.05408 -0.00411 0.01221 0.01851
F14 4 -0.086268 0.441747 0.473506 11.00000 0.07883 0.08075 =
0.04232 -0.02114 -0.01223 0.03966
F15 4 -0.200930 0.413917 0.460205 11.00000 0.08488 0.05878 =
0.06395 -0.00527 0.04196 -0.01080
PART 1
F16 4 -0.087289 0.494495 0.287908 101.00000 0.05288 0.06306 =
0.05521 0.03508 0.00821 -0.00128
F17 4 -0.177714 0.421243 0.280444 101.00000 0.07706 0.07534 =
0.05250 0.02900 -0.03111 -0.02106
F18 4 -0.196290 0.518199 0.309915 101.00000 0.09077 0.07788 =
0.06639 0.04195 0.01550 0.05274
F19 4 0.163548 0.184082 0.242700 81.00000 0.06887 0.08260 =
0.07019 0.01417 0.04752 0.02144
F20 4 0.123866 0.079459 0.237373 81.00000 0.06050 0.10498 =
0.07343 -0.05235 0.00835 0.02212
F21 4 0.192286 0.109306 0.286419 81.00000 0.04937 0.08721 =
0.05674 0.00970 0.00681 0.04263
F22 4 -0.154662 0.158007 0.234908 21.00000 0.06256 0.09887 =
0.06116 0.03975 -0.03856 -0.03087
F23 4 -0.150320 0.064102 0.265831 21.00000 0.05100 0.05578 =
0.08488 -0.01474 -0.01764 -0.01848
F24 4 -0.199753 0.151251 0.292092 21.00000 0.02725 0.11604 =
0.07813 -0.06278 0.00342 -0.00771
PART 0
C23 1 0.093966 0.313269 0.377650 11.00000 0.02104 0.02174 =
0.02882 0.00146 0.00001 0.00051
C24 1 0.128750 0.346366 0.347246 11.00000 0.02492 0.02679 =
0.03393 0.00773 0.00072 -0.00015
AFIX 43
H24 2 0.108883 0.338258 0.322339 11.00000 -1.20000
AFIX 0
C25 1 0.191477 0.390778 0.352224 11.00000 0.02899 0.02438 =
0.05026 0.00985 0.00555 0.00028
C26 1 0.221984 0.404377 0.387888 11.00000 0.02834 0.02733 =
0.06098 -0.00100 0.00042 -0.00881
AFIX 43
H26 2 0.264919 0.434620 0.391319 11.00000 -1.20000
AFIX 0
C27 1 0.188156 0.372624 0.418559 11.00000 0.03285 0.03307 =
0.04270 -0.00709 -0.00356 -0.00734
C28 1 0.125633 0.328067 0.413508 11.00000 0.02812 0.02872 =
0.03091 -0.00107 0.00041 -0.00426
AFIX 43
H28 2 0.103739 0.307018 0.435090 11.00000 -1.20000
AFIX 0
C29 1 0.227133 0.422040 0.317991 11.00000 0.04088 0.04616 =
0.06840 0.02633 0.00687 -0.01013
C30 1 0.219336 0.387977 0.457472 11.00000 0.04998 0.07111 =
0.05252 -0.01812 -0.00586 -0.02385
C31 1 -0.003365 0.211556 0.404144 11.00000 0.02441 0.01899 =
0.01976 -0.00141 -0.00065 -0.00031
C32 1 0.053252 0.169710 0.421671 11.00000 0.02465 0.02660 =
0.02735 0.00271 -0.00247 -0.00293
AFIX 43
H32 2 0.105013 0.178852 0.416431 11.00000 -1.20000
AFIX 0
C33 1 0.035772 0.115097 0.446558 11.00000 0.03393 0.02751 =
0.03057 0.00662 -0.00581 -0.00166
C34 1 -0.038873 0.098778 0.454417 11.00000 0.04148 0.02532 =
0.02326 0.00340 0.00229 -0.00614
AFIX 43
H34 2 -0.050653 0.061206 0.471281 11.00000 -1.20000
AFIX 0
C35 1 -0.095717 0.138772 0.436998 11.00000 0.03066 0.02349 =
0.02249 -0.00393 0.00568 -0.00414
C36 1 -0.078140 0.194121 0.412609 11.00000 0.02530 0.02299 =
0.02200 -0.00160 0.00138 0.00012
AFIX 43
H36 2 -0.118458 0.221048 0.401298 11.00000 -1.20000
AFIX 0
C37 1 0.097895 0.071513 0.464941 11.00000 0.04421 0.04841 =
0.06344 0.02789 -0.01434 -0.00262
C38 1 -0.177612 0.122002 0.442904 11.00000 0.03647 0.03250 =
0.03794 0.00090 0.01295 -0.00425
C39 1 -0.048888 0.335050 0.372423 11.00000 0.02095 0.02267 =
0.02751 0.00398 0.00029 -0.00287
C40 1 -0.071375 0.363578 0.406993 11.00000 0.02609 0.02239 =
0.02790 0.00363 -0.00062 -0.00063
AFIX 43
H40 2 -0.053908 0.341489 0.429811 11.00000 -1.20000
AFIX 0
C41 1 -0.118041 0.422683 0.409197 11.00000 0.02785 0.02126 =
0.03487 0.00148 0.00240 -0.00105
C42 1 -0.145263 0.456420 0.376468 11.00000 0.02676 0.02137 =
0.04448 0.00620 0.00067 0.00178
AFIX 43
H42 2 -0.178005 0.496530 0.377782 11.00000 -1.20000
AFIX 0
C43 1 -0.123259 0.429850 0.342049 11.00000 0.02650 0.02755 =
0.03694 0.01147 -0.00256 -0.00156
C44 1 -0.075942 0.370293 0.339937 11.00000 0.02583 0.02806 =
0.02814 0.00628 0.00069 -0.00108
AFIX 43
H44 2 -0.061814 0.353339 0.315797 11.00000 -1.20000
AFIX 0
C45 1 -0.141092 0.449113 0.447119 11.00000 0.04564 0.02817 =
0.04100 0.00095 0.00592 0.00878
C46 1 -0.147515 0.466210 0.305890 11.00000 0.04306 0.04254 =
0.04553 0.01901 -0.00555 0.00311
C47 1 0.009147 0.224537 0.332326 11.00000 0.02302 0.02503 =
0.02130 0.00399 0.00058 -0.00047
C48 1 0.072776 0.196470 0.314850 11.00000 0.02091 0.02964 =
0.02863 0.00289 -0.00076 0.00152
AFIX 43
H48 2 0.121973 0.207843 0.324853 11.00000 -1.20000
AFIX 0
C49 1 0.066431 0.152419 0.283281 11.00000 0.02893 0.03435 =
0.02748 0.00025 0.00446 0.00483
C50 1 -0.003954 0.133226 0.268127 11.00000 0.03611 0.03425 =
0.02277 -0.00324 0.00064 0.00121
AFIX 43
H50 2 -0.008351 0.103014 0.246608 11.00000 -1.20000
AFIX 0
C51 1 -0.067697 0.159529 0.285380 11.00000 0.02609 0.04030 =
0.02380 -0.00175 -0.00288 -0.00192
C52 1 -0.061178 0.204261 0.316543 11.00000 0.02224 0.03434 =
0.02378 -0.00076 0.00186 0.00133
AFIX 43
H52 2 -0.106183 0.221720 0.327536 11.00000 -1.20000
AFIX 0
C53 1 0.136503 0.127525 0.264468 11.00000 0.03634 0.06228 =
0.04263 -0.01282 0.00756 0.01131
C54 1 -0.144753 0.140603 0.269759 11.00000 0.03255 0.07185 =
0.03671 -0.01238 -0.00697 -0.00680
B1 3 0.013851 0.270779 0.371586 11.00000 0.01993 0.02367 =
0.02121 0.00228 -0.00009 -0.00076
F1A 4 0.658927 0.461262 0.580651 11.00000 0.06000 0.07386 =
0.04929 -0.01180 0.00285 -0.04511
F2A 4 0.669556 0.392974 0.533728 11.00000 0.04575 0.06720 =
0.07612 -0.01652 0.03128 -0.02240
F3A 4 0.605457 0.488045 0.527472 11.00000 0.05081 0.07833 =
0.09744 0.05724 0.00134 -0.02279
F4A 4 0.335915 0.479283 0.543511 11.00000 0.04138 0.04871 =
0.09698 0.04262 0.00683 0.00980
F5A 4 0.290561 0.373840 0.546634 11.00000 0.03691 0.04829 =
0.05907 -0.00609 -0.01805 -0.00046
F6A 4 0.306584 0.434323 0.596781 11.00000 0.03696 0.06808 =
0.04792 -0.00825 0.00358 0.01588
PART 1
F7A 4 0.334460 0.050282 0.524665 41.00000 0.11514 0.09712 =
0.04166 -0.03736 -0.02205 0.03344
F8A 4 0.303139 0.156474 0.524428 41.00000 0.11585 0.05927 =
0.04748 0.02855 -0.04915 -0.04563
F9A 4 0.231640 0.079218 0.548710 41.00000 0.04082 0.13466 =
0.03898 0.00335 -0.00997 -0.03361
PART 0
F10A 4 0.309167 -0.032149 0.670343 11.00000 0.08478 0.04184 =
0.04843 0.01663 -0.00628 -0.03207
F11A 4 0.302027 0.058740 0.705633 11.00000 0.08627 0.06603 =
0.03846 0.00989 0.02875 -0.00861
F12A 4 0.408678 0.007914 0.699503 11.00000 0.05211 0.08228 =
0.06608 0.05186 -0.01630 -0.01636
PART 1
F13A 4 0.695072 0.380641 0.708170 121.00000 0.03095 0.06924 =
0.05394 -0.00900 -0.00568 -0.01703
F14A 4 0.624730 0.462398 0.730524 121.00000 0.06248 0.05414 =
0.07472 -0.03023 0.00383 -0.02584
F15A 4 0.651339 0.371592 0.763629 121.00000 0.06093 0.11561 =
0.03822 0.00043 -0.01917 -0.04459
F16A 4 0.319897 0.405563 0.723291 51.00000 0.04997 0.08815 =
0.08546 0.00074 0.00929 0.02582
F17A 4 0.305224 0.292470 0.728842 51.00000 0.02282 0.08306 =
0.06512 -0.03996 0.01085 -0.00430
F18A 4 0.366290 0.352873 0.770227 51.00000 0.02626 0.06027 =
0.05775 -0.02548 0.01817 -0.00263
PART 0
F19A 4 0.776728 0.032998 0.676406 11.00000 0.05578 0.05693 =
0.07824 0.01505 -0.01413 0.02245
F20A 4 0.761827 0.131809 0.703482 11.00000 0.07595 0.07219 =
0.05068 0.00135 -0.02594 0.00958
F21A 4 0.676701 0.052086 0.707964 11.00000 0.04601 0.15519 =
0.09915 0.09881 0.00676 0.00468
PART 1
F22A 4 0.721362 0.165379 0.526560 31.00000 0.12785 0.05712 =
0.06063 -0.00040 0.06096 -0.01468
F23A 4 0.745758 0.056302 0.541878 31.00000 0.09362 0.10321 =
0.06879 0.00206 0.03048 0.06480
F24A 4 0.637523 0.088569 0.520403 31.00000 0.09410 0.07697 =
0.03901 -0.01701 0.01352 0.00239
PART 0
C23A 1 0.496553 0.296511 0.597255 11.00000 0.02594 0.02173 =
0.01846 -0.00204 0.00179 -0.00333
C24A 1 0.558849 0.333245 0.583238 11.00000 0.02381 0.02754 =
0.02273 -0.00179 0.00162 -0.00438
AFIX 43
H24A 2 0.608488 0.314717 0.587876 11.00000 -1.20000
AFIX 0
C25A 1 0.550425 0.396113 0.562699 11.00000 0.02993 0.02544 =
0.02416 -0.00170 0.00246 -0.00885
C26A 1 0.479339 0.424868 0.554952 11.00000 0.03494 0.02169 =
0.02649 0.00204 0.00153 -0.00506
AFIX 43
H26A 2 0.473642 0.467359 0.540549 11.00000 -1.20000
AFIX 0
C27A 1 0.416488 0.389738 0.568869 11.00000 0.02845 0.02224 =
0.02425 -0.00016 -0.00034 -0.00292
C28A 1 0.425257 0.327306 0.589472 11.00000 0.02439 0.02238 =
0.02349 0.00085 0.00294 -0.00443
AFIX 43
H28A 2 0.381242 0.304515 0.598671 11.00000 -1.20000
AFIX 0
C29A 1 0.620260 0.434807 0.551076 11.00000 0.03572 0.03486 =
0.03379 0.00256 0.00436 -0.01161
C30A 1 0.338238 0.419513 0.563555 11.00000 0.03272 0.02666 =
0.03439 0.00481 -0.00070 -0.00075
C31A 1 0.435346 0.173348 0.622673 11.00000 0.02049 0.02100 =
0.02131 -0.00092 0.00279 0.00073
C32A 1 0.397072 0.161456 0.587994 11.00000 0.02653 0.02240 =
0.02017 0.00060 0.00428 -0.00119
AFIX 43
H32A 2 0.409221 0.190235 0.566890 11.00000 -1.20000
AFIX 0
C33A 1 0.341893 0.108968 0.583387 11.00000 0.02559 0.02360 =
0.02310 -0.00230 0.00033 -0.00116
C34A 1 0.323577 0.064431 0.613216 11.00000 0.02399 0.02213 =
0.02791 -0.00005 0.00254 -0.00335
AFIX 43
H34A 2 0.286032 0.028369 0.610133 11.00000 -1.20000
AFIX 0
C35A 1 0.361958 0.074425 0.647613 11.00000 0.02627 0.02322 =
0.02591 0.00354 0.00388 -0.00114
C36A 1 0.415903 0.128048 0.652232 11.00000 0.02440 0.02410 =
0.02078 0.00100 0.00045 -0.00038
AFIX 43
H36A 2 0.440392 0.134097 0.676324 11.00000 -1.20000
AFIX 0
C37A 1 0.301380 0.100745 0.545873 11.00000 0.04202 0.04193 =
0.02585 -0.00009 -0.00406 -0.01335
C38A 1 0.345401 0.026981 0.680503 11.00000 0.03770 0.03599 =
0.03114 0.00934 0.00011 -0.01062
C39A 1 0.502206 0.274775 0.667614 11.00000 0.02345 0.02355 =
0.02062 0.00124 0.00055 -0.00155
C40A 1 0.566975 0.308129 0.682929 11.00000 0.02527 0.03075 =
0.02366 0.00078 0.00245 -0.00458
AFIX 43
H40A 2 0.614969 0.297948 0.672509 11.00000 -1.20000
AFIX 0
C41A 1 0.563455 0.355775 0.712949 11.00000 0.03185 0.02984 =
0.02601 0.00044 -0.00400 -0.00847
C42A 1 0.495089 0.372509 0.728650 11.00000 0.03721 0.03583 =
0.03117 -0.01241 -0.00400 0.00157
AFIX 43
H42A 2 0.492486 0.405679 0.748877 11.00000 -1.20000
AFIX 0
C43A 1 0.430278 0.339680 0.714155 11.00000 0.02784 0.05064 =
0.03638 -0.01897 -0.00052 0.00567
C44A 1 0.433737 0.291637 0.684356 11.00000 0.02247 0.03480 =
0.02834 -0.00893 -0.00170 0.00096
AFIX 43
H44A 2 0.388210 0.269693 0.675147 11.00000 -1.20000
AFIX 0
C45A 1 0.635025 0.387928 0.729315 11.00000 0.04365 0.06344 =
0.03867 -0.00964 -0.00011 -0.02478
C46A 1 0.356004 0.356908 0.730920 11.00000 0.03451 0.09948 =
0.07425 -0.05541 -0.00279 0.01592
C47A 1 0.581910 0.184579 0.623205 11.00000 0.02169 0.02293 =
0.02500 0.00063 0.00227 -0.00441
C48A 1 0.608874 0.167065 0.587549 11.00000 0.02846 0.02711 =
0.02565 0.00000 0.00377 -0.00027
AFIX 43
H48A 2 0.583490 0.185820 0.565653 11.00000 -1.20000
AFIX 0
C49A 1 0.671454 0.123218 0.583054 11.00000 0.03145 0.02696 =
0.03591 -0.00123 0.01111 -0.00049
C50A 1 0.710230 0.094618 0.614190 11.00000 0.02375 0.02593 =
0.04920 0.00418 0.00741 0.00084
AFIX 43
H50A 2 0.753511 0.065119 0.611165 11.00000 -1.20000
AFIX 0
C51A 1 0.684145 0.110236 0.649671 11.00000 0.02437 0.02635 =
0.04043 0.00882 -0.00054 -0.00298
C52A 1 0.621394 0.154306 0.654119 11.00000 0.02389 0.02828 =
0.02712 0.00377 0.00155 -0.00309
AFIX 43
H52A 2 0.604861 0.164132 0.678947 11.00000 -1.20000
AFIX 0
C53A 1 0.698392 0.108082 0.544206 11.00000 0.05909 0.04298 =
0.04552 -0.00174 0.02353 0.00927
C54A 1 0.723805 0.081231 0.684418 11.00000 0.03155 0.04736 =
0.05273 0.01888 -0.00207 0.00293
B1A 3 0.504431 0.230936 0.627620 11.00000 0.02080 0.02304 =
0.01964 0.00031 0.00188 -0.00147
PART 2
F3AA 4 -0.186463 0.208068 0.263587 -21.00000 0.03201 0.05128 =
0.08199 -0.00815 -0.02983 0.00512
F1AA 4 -0.147860 0.118745 0.236558 -21.00000 0.05961 0.11743 =
0.07132 -0.06316 -0.02770 0.01092
F2AA 4 -0.187021 0.111364 0.291460 -21.00000 0.04408 0.09843 =
0.10361 0.04177 -0.02218 -0.03750
F22B 4 0.657306 0.125182 0.517150 -31.00000 0.09250 0.09767 =
0.04104 -0.00031 0.01238 0.04727
F23B 4 0.769262 0.138849 0.540766 -31.00000 0.07553 0.09580 =
0.06000 -0.02480 0.04508 -0.03827
F24B 4 0.719384 0.041175 0.540211 -31.00000 0.09196 0.04055 =
0.05751 -0.02596 0.02938 -0.00131
F7B 4 0.346144 0.098940 0.518193 -41.00000 0.07099 0.13299 =
0.02309 -0.01377 0.00728 -0.03162
F8B 4 0.255858 0.157773 0.539409 -41.00000 0.10583 0.07491 =
0.05781 -0.01077 -0.05492 0.03028
F9B 4 0.257496 0.046992 0.542837 -41.00000 0.09570 0.05659 =
0.04416 0.00537 -0.02800 -0.05044
F16B 4 0.347834 0.439467 0.723184 -51.00000 0.04045 0.06468 =
0.05473 -0.01624 -0.00126 0.02208
F17B 4 0.298072 0.341335 0.708267 -51.00000 0.02444 0.11865 =
0.09098 -0.07178 0.00659 -0.00250
F18B 4 0.346982 0.355941 0.765916 -51.00000 0.02817 0.07240 =
0.08327 -0.02375 0.02938 -0.00373
C1B 1 0.489526 0.241619 0.482234 -61.00000 0.06129 0.06097 =
0.02311 -0.00009 0.00094 -0.00292
AFIX 93
H1BA 2 0.540667 0.228676 0.477687 -61.00000 -1.20000
H1BB 2 0.455192 0.207262 0.491634 -61.00000 -1.20000
AFIX 0
C2B 1 0.465868 0.308203 0.475400 -61.00000 0.06463 0.05668 =
0.02522 -0.01847 0.00099 -0.00331
AFIX 43
H2B 2 0.414576 0.320414 0.480073 -61.00000 -1.20000
AFIX 0
C3B 1 0.516299 0.362161 0.461077 -61.00000 0.07180 0.05264 =
0.03700 -0.02308 -0.00354 -0.00718
AFIX 43
H3B 2 0.498174 0.409110 0.456437 -61.00000 -1.20000
AFIX 0
C4B 1 0.589245 0.345300 0.454361 -61.00000 0.06360 0.05223 =
0.04064 -0.01794 -0.00791 -0.01973
AFIX 93
H4BA 2 0.607165 0.298294 0.459035 -61.00000 -1.20000
H4BB 2 0.622683 0.380435 0.444959 -61.00000 -1.20000
AFIX 0
C4C 1 0.141584 0.314912 0.584752 -71.00000 0.04726 0.05429 =
0.07409 0.01863 0.01673 -0.01627
AFIX 93
H4CA 2 0.150226 0.267121 0.577152 -71.00000 -1.20000
H4CB 2 0.123223 0.348913 0.566802 -71.00000 -1.20000
AFIX 0
C3C 1 0.156018 0.335390 0.622690 -71.00000 0.04222 0.04754 =
0.08091 0.00535 0.01074 -0.02142
AFIX 13
H3C 2 0.140568 0.383859 0.631342 -71.00000 -1.20000
AFIX 0
C2C 1 0.183968 0.283784 0.650089 -71.00000 0.02911 0.05609 =
0.07054 -0.00617 0.00664 -0.01489
AFIX 13
H2C 2 0.187944 0.297774 0.677382 -71.00000 -1.20000
AFIX 0
C1C 1 0.197520 0.215013 0.640479 -71.00000 0.02897 0.05394 =
0.06166 -0.00252 0.01268 0.00129
AFIX 93
H1CA 2 0.188640 0.199601 0.615129 -71.00000 -1.20000
H1CB 2 0.215882 0.182308 0.659105 -71.00000 -1.20000
AFIX 0
F0AA 4 0.150492 0.151734 0.233595 -81.00000 0.05584 0.12705 =
0.03045 0.01056 0.01819 0.03835
F4AA 4 0.132327 0.053739 0.259839 -81.00000 0.05402 0.06228 =
0.09777 -0.03775 0.01719 0.01190
F5AA 4 0.197276 0.131645 0.287523 -81.00000 0.02799 0.08222 =
0.05300 -0.01676 0.00548 0.01455
F6AA 4 0.147630 0.051652 0.435678 -91.00000 0.04753 0.08011 =
0.09833 0.03553 -0.01413 0.03773
F7AA 4 0.084869 0.015301 0.479057 -91.00000 0.07198 0.06618 =
0.08625 0.05444 -0.01135 -0.00008
F8AA 4 0.139644 0.112558 0.485852 -91.00000 0.06675 0.10528 =
0.09642 0.01792 -0.04541 0.00146
F9AA 4 -0.107268 0.520443 0.300516 -101.00000 0.08265 0.05768 =
0.06409 0.03806 -0.01377 -0.01758
F0BA 4 -0.152314 0.423445 0.276996 -101.00000 0.06543 0.05614 =
0.03806 0.01341 -0.00438 0.01794
F1BA 4 -0.220095 0.489225 0.310955 -101.00000 0.06395 0.06592 =
0.06605 0.03776 -0.01487 0.02813
F5BA 4 0.193758 0.441544 0.474263 -111.00000 0.08728 0.10403 =
0.06222 -0.04409 0.00199 -0.00422
F6BA 4 0.294902 0.393248 0.462108 -111.00000 0.05876 0.06657 =
0.06208 -0.01287 -0.02020 -0.03823
F4BA 4 0.211581 0.326777 0.480289 -111.00000 0.07639 0.09264 =
0.03536 -0.00911 -0.01407 -0.03625
F13B 4 0.689847 0.390949 0.704659 -121.00000 0.04487 0.06209 =
0.05644 0.00282 0.00528 -0.03015
F14B 4 0.627688 0.446627 0.746918 -121.00000 0.08093 0.08367 =
0.07988 -0.04968 -0.00822 -0.03344
F15B 4 0.663792 0.339516 0.756974 -121.00000 0.05358 0.09429 =
0.05033 0.01371 -0.02766 -0.03487
HKLF 4
REM 271amm19.res in P2/n
REM R1 = 0.0332 for 21819 Fo >