data_shelx _audit_update_record ; 2022-03-08 # Formatted by publCIF ; _publcif_datablock.id '{f67e6d4c-e0e6-4c64-802d-9548ae2888ed}' # publcif _publ_body_element loop start loop_ _publ_body_element _publ_body_title _publ_body_contents section ; Chemical context ; ; ; section ; Structural commentary ; ; ; section ; Supramolecular features ; ; ; section ; Database survey ; ; ; section ; Synthesis and crystallization ; ; ; section ; Refinement ; ; Crystal data, data collection and structure refinement details are summarized in Table 1. ; # publcif _publ_body_element loop end _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Co4.22 Ge12.48 Pr5 Sn0.52' _chemical_formula_weight 1920.88 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Co' 'Co' 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ge' 'Ge' 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pr' 'Pr' -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sn' 'Sn' -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system orthorhombic _space_group_IT_number 65 _space_group_name_H-M_alt 'C m m m' _space_group_name_Hall '-C 2 2' _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. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' 'x, -y, -z' 'x+1/2, y+1/2, z' '-x+1/2, -y+1/2, z' '-x+1/2, y+1/2, -z' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x, y, -z' 'x, -y, z' '-x, y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, y+1/2, -z' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z' _cell_length_a 4.2899(9) _cell_length_b 45.487(8) _cell_length_c 4.3115(7) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 841.3(3) _cell_formula_units_Z 2 _cell_measurement_temperature 300(2) _cell_measurement_reflns_used 6468 _cell_measurement_theta_min 4.939 _cell_measurement_theta_max 30.51 _exptl_crystal_description Fragment _exptl_crystal_colour Black _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 7.583 _exptl_crystal_F_000 1669 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.140 _exptl_crystal_size_mid 0.120 _exptl_crystal_size_min 0.020 _exptl_absorpt_coefficient_mu 40.817 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.2695 _exptl_absorpt_correction_T_max 0.7461 _exptl_absorpt_process_details SADABS(Krause,Herbst-Irmer,Sheldrick,&Stalke;J.Appl.Cryst.2015,48,3-10) _exptl_absorpt_special_details ? _diffrn_ambient_temperature 300(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'I\mS microfocus tube' _diffrn_measurement_device_type 'Bruker Kappa D8 Quest CPAD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 16553 _diffrn_reflns_av_unetI/netI 0.0257 _diffrn_reflns_av_R_equivalents 0.0721 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -64 _diffrn_reflns_limit_k_max 64 _diffrn_reflns_limit_l_min -6 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_theta_min 2.687 _diffrn_reflns_theta_max 30.525 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measured_fraction_theta_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_point_group_measured_fraction_full 0.996 _reflns_number_total 817 _reflns_number_gt 718 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _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. ; _computing_data_collection 'APEX3 (Bruker-AXS, 2015)' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'CrystalMaker (CrystalMaker, 2021)' _computing_publication_material 'publCIF (Westrip, 2012)' _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0490P)^2^+11.2881P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens . _refine_ls_hydrogen_treatment undef _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_extinction_coef 0.00171(12) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 817 _refine_ls_number_parameters 55 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0379 _refine_ls_R_factor_gt 0.0327 _refine_ls_wR_factor_ref 0.0939 _refine_ls_wR_factor_gt 0.0908 _refine_ls_goodness_of_fit_ref 1.161 _refine_ls_restrained_S_all 1.160 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 Pr1 Pr 0.000000 0.39170(2) 0.500000 0.00680(19) Uani 1 4 d S T P . . Pr2 Pr 0.000000 0.21302(2) 0.000000 0.00550(18) Uani 1 4 d S T P . . Pr3 Pr 0.000000 0.000000 0.000000 0.0087(2) Uani 1 8 d S T P A . Co1 Co 0.000000 0.31849(3) 0.500000 0.0047(3) Uani 1 4 d S T P A . Ge1 Ge 0.000000 0.05311(3) 0.500000 0.0094(3) Uani 1 4 d S T P . . Ge2 Ge 0.000000 0.16042(2) 0.500000 0.0064(2) Uani 1 4 d S T P . . Ge3 Ge 0.000000 0.26668(2) 0.500000 0.0055(2) Uani 1 4 d S T P . . Ge5 Ge 0.000000 0.33959(2) 0.000000 0.0060(2) Uani 1 4 d S T P . . Ge6 Ge 0.000000 0.44685(2) 0.000000 0.0096(3) Uani 1 4 d S T P . . Co2 Co 0.000000 0.07342(4) 0.000000 0.0090(3) Uani 0.829(5) 4 d S T P A 1 Ge4 Ge 0.000000 0.12331(3) 0.000000 0.0090(3) Uani 0.8756(17) 4 d S T P A 1 Sn1 Sn 0.000000 0.10813(13) 0.000000 0.0090(3) Uani 0.1244(17) 4 d S T P B 2 Co3 Co 0.500000 0.03376(13) 0.500000 0.0132(5) Uani 0.282(5) 4 d S T P A 1 Ge7 Ge 0.500000 -0.01560(8) 0.500000 0.0132(5) Uani 0.3651(11) 4 d S T P A 1 Sn2 Sn 0.500000 0.000000 0.500000 0.0132(5) Uani 0.270(2) 8 d S T P A 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 Pr1 0.0089(3) 0.0030(3) 0.0086(3) 0.000 0.000 0.000 Pr2 0.0075(3) 0.0028(3) 0.0062(3) 0.000 0.000 0.000 Pr3 0.0116(4) 0.0029(4) 0.0117(4) 0.000 0.000 0.000 Co1 0.0055(5) 0.0032(5) 0.0053(5) 0.000 0.000 0.000 Ge1 0.0134(6) 0.0067(5) 0.0081(5) 0.000 0.000 0.000 Ge2 0.0060(4) 0.0027(5) 0.0105(5) 0.000 0.000 0.000 Ge3 0.0062(5) 0.0015(5) 0.0089(5) 0.000 0.000 0.000 Ge5 0.0105(5) 0.0029(5) 0.0047(5) 0.000 0.000 0.000 Ge6 0.0096(5) 0.0067(5) 0.0126(6) 0.000 0.000 0.000 Co2 0.0102(5) 0.0077(6) 0.0091(5) 0.000 0.000 0.000 Ge4 0.0102(5) 0.0077(6) 0.0091(5) 0.000 0.000 0.000 Sn1 0.0102(5) 0.0077(6) 0.0091(5) 0.000 0.000 0.000 Co3 0.0116(9) 0.0178(13) 0.0103(9) 0.000 0.000 0.000 Ge7 0.0116(9) 0.0178(13) 0.0103(9) 0.000 0.000 0.000 Sn2 0.0116(9) 0.0178(13) 0.0103(9) 0.000 0.000 0.000 _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 Pr1 Sn1 3.0411(4) 13_556 ? Pr1 Sn1 3.0411(4) 13_455 ? Pr1 Sn1 3.0411(4) 13_456 ? Pr1 Sn1 3.0411(4) 13 ? Pr1 Ge4 3.1168(5) 13_455 ? Pr1 Ge4 3.1168(5) 13_556 ? Pr1 Ge4 3.1168(5) 13_456 ? Pr1 Ge4 3.1168(5) 13 ? Pr1 Ge2 3.1968(9) 13_456 ? Pr1 Ge2 3.1968(9) 13_556 ? Pr1 Ge5 3.2038(9) . ? Pr1 Ge5 3.2038(9) 1_556 ? Pr2 Ge3 3.1782(5) 13_556 ? Pr2 Ge3 3.1782(5) 13_455 ? Pr2 Ge3 3.1782(5) 13_456 ? Pr2 Ge3 3.1782(5) 13 ? Pr2 Ge5 3.2138(10) 13_455 ? Pr2 Ge5 3.2138(10) 13 ? Pr2 Ge2 3.2206(9) . ? Pr2 Ge2 3.2207(9) 1_554 ? Pr2 Ge3 3.2563(9) . ? Pr2 Ge3 3.2564(9) 1_554 ? Pr2 Co1 3.3619(7) 13_455 ? Pr2 Co1 3.3619(7) 13_556 ? Pr3 Sn2 3.0411(4) 1_454 ? Pr3 Sn2 3.0411(4) . ? Pr3 Sn2 3.0411(4) 1_455 ? Pr3 Sn2 3.0411(4) 1_554 ? Pr3 Ge7 3.1227(9) 9_656 ? Pr3 Ge7 3.1227(9) 1_454 ? Pr3 Ge7 3.1227(9) 9 ? Pr3 Ge7 3.1227(9) 9_556 ? Pr3 Ge7 3.1227(9) 9_655 ? Pr3 Ge7 3.1227(9) 1_455 ? Pr3 Ge7 3.1227(9) 1_554 ? Pr3 Ge7 3.1227(9) . ? Co1 Ge2 2.3499(8) 13_556 ? Co1 Ge2 2.3499(8) 13_456 ? Co1 Ge3 2.3567(16) . ? Co1 Ge5 2.3599(8) 1_556 ? Co1 Ge5 2.3599(8) . ? Ge1 Co3 2.318(2) . ? Ge1 Co3 2.318(2) 1_455 ? Ge1 Co2 2.3454(9) 1_556 ? Ge1 Co2 2.3454(9) . ? Ge1 Ge7 2.741(2) 9_556 ? Ge1 Ge7 2.741(2) 9_656 ? Ge2 Ge4 2.7379(11) 1_556 ? Ge2 Ge4 2.7380(11) . ? Ge3 Ge3 2.6273(12) 13_456 ? Ge3 Ge3 2.6273(12) 13_556 ? Ge5 Ge4 2.7291(13) 13 ? Ge5 Ge4 2.7291(13) 13_455 ? Ge6 Co3 2.329(2) 13_556 ? Ge6 Co3 2.329(2) 13 ? Ge6 Co2 2.3346(9) 13_455 ? Ge6 Co2 2.3346(9) 13 ? Ge6 Ge7 2.751(2) 5_455 ? Ge6 Ge7 2.751(2) 5_454 ? Co2 Ge4 2.269(2) . ? Co3 Ge7 0.826(6) 9_656 ? Co3 Ge7 2.245(8) . ? Ge7 Ge7 1.419(7) 9_656 ? 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 Ge4 Pr1 Ge4 154.69(6) 13_455 13_556 ? Ge4 Pr1 Ge4 87.524(18) 13_455 13_456 ? Ge4 Pr1 Ge4 86.975(19) 13_556 13_456 ? Ge4 Pr1 Ge4 86.975(19) 13_455 13 ? Ge4 Pr1 Ge4 87.524(18) 13_556 13 ? Ge4 Pr1 Ge4 154.69(6) 13_456 13 ? Ge4 Pr1 Ge2 51.38(2) 13_455 13_456 ? Ge4 Pr1 Ge2 107.42(3) 13_556 13_456 ? Ge4 Pr1 Ge2 51.38(2) 13_456 13_456 ? Ge4 Pr1 Ge2 107.42(3) 13 13_456 ? Ge4 Pr1 Ge2 107.42(3) 13_455 13_556 ? Ge4 Pr1 Ge2 51.38(2) 13_556 13_556 ? Ge4 Pr1 Ge2 107.42(3) 13_456 13_556 ? Ge4 Pr1 Ge2 51.38(2) 13 13_556 ? Ge2 Pr1 Ge2 84.28(3) 13_456 13_556 ? Sn1 Pr1 Ge5 118.62(10) 13_556 . ? Sn1 Pr1 Ge5 61.64(10) 13_455 . ? Sn1 Pr1 Ge5 118.62(10) 13_456 . ? Sn1 Pr1 Ge5 61.64(10) 13 . ? Ge4 Pr1 Ge5 51.14(2) 13_455 . ? Ge4 Pr1 Ge5 107.66(3) 13_556 . ? Ge4 Pr1 Ge5 107.66(3) 13_456 . ? Ge4 Pr1 Ge5 51.14(2) 13 . ? Ge2 Pr1 Ge5 56.734(14) 13_456 . ? Ge2 Pr1 Ge5 56.734(14) 13_556 . ? Ge4 Pr1 Ge5 107.66(3) 13_455 1_556 ? Ge4 Pr1 Ge5 51.14(2) 13_556 1_556 ? Ge4 Pr1 Ge5 51.14(2) 13_456 1_556 ? Ge4 Pr1 Ge5 107.66(3) 13 1_556 ? Ge2 Pr1 Ge5 56.734(14) 13_456 1_556 ? Ge2 Pr1 Ge5 56.734(14) 13_556 1_556 ? Ge5 Pr1 Ge5 84.58(3) . 1_556 ? Ge3 Pr2 Ge3 146.22(4) 13_556 13_455 ? Ge3 Pr2 Ge3 84.893(19) 13_556 13_456 ? Ge3 Pr2 Ge3 85.422(18) 13_455 13_456 ? Ge3 Pr2 Ge3 85.422(18) 13_556 13 ? Ge3 Pr2 Ge3 84.893(19) 13_455 13 ? Ge3 Pr2 Ge3 146.22(4) 13_456 13 ? Ge3 Pr2 Ge5 131.822(17) 13_556 13_455 ? Ge3 Pr2 Ge5 76.46(2) 13_455 13_455 ? Ge3 Pr2 Ge5 76.46(2) 13_456 13_455 ? Ge3 Pr2 Ge5 131.822(17) 13 13_455 ? Ge3 Pr2 Ge5 76.46(2) 13_556 13 ? Ge3 Pr2 Ge5 131.822(17) 13_455 13 ? Ge3 Pr2 Ge5 131.822(17) 13_456 13 ? Ge3 Pr2 Ge5 76.46(2) 13 13 ? Ge5 Pr2 Ge5 83.74(3) 13_455 13 ? Ge3 Pr2 Ge2 76.22(2) 13_556 . ? Ge3 Pr2 Ge2 132.059(19) 13_455 . ? Ge3 Pr2 Ge2 76.22(2) 13_456 . ? Ge3 Pr2 Ge2 132.059(19) 13 . ? Ge5 Pr2 Ge2 56.410(14) 13_455 . ? Ge5 Pr2 Ge2 56.410(13) 13 . ? Ge3 Pr2 Ge2 132.058(19) 13_556 1_554 ? Ge3 Pr2 Ge2 76.22(2) 13_455 1_554 ? Ge3 Pr2 Ge2 132.058(18) 13_456 1_554 ? Ge3 Pr2 Ge2 76.22(2) 13 1_554 ? Ge5 Pr2 Ge2 56.409(14) 13_455 1_554 ? Ge5 Pr2 Ge2 56.409(14) 13 1_554 ? Ge2 Pr2 Ge2 84.03(3) . 1_554 ? Ge3 Pr2 Ge3 48.18(2) 13_556 . ? Ge3 Pr2 Ge3 103.372(17) 13_455 . ? Ge3 Pr2 Ge3 48.18(2) 13_456 . ? Ge3 Pr2 Ge3 103.372(17) 13 . ? Ge5 Pr2 Ge3 123.926(11) 13_455 . ? Ge5 Pr2 Ge3 123.926(11) 13 . ? Ge2 Pr2 Ge3 96.53(2) . . ? Ge2 Pr2 Ge3 179.438(19) 1_554 . ? Ge3 Pr2 Ge3 103.371(17) 13_556 1_554 ? Ge3 Pr2 Ge3 48.18(2) 13_455 1_554 ? Ge3 Pr2 Ge3 103.371(17) 13_456 1_554 ? Ge3 Pr2 Ge3 48.18(2) 13 1_554 ? Ge5 Pr2 Ge3 123.927(11) 13_455 1_554 ? Ge5 Pr2 Ge3 123.927(11) 13 1_554 ? Ge2 Pr2 Ge3 179.435(19) . 1_554 ? Ge2 Pr2 Ge3 96.53(2) 1_554 1_554 ? Ge3 Pr2 Ge3 82.91(3) . 1_554 ? Ge3 Pr2 Co1 171.66(3) 13_556 13_455 ? Ge3 Pr2 Co1 42.13(3) 13_455 13_455 ? Ge3 Pr2 Co1 97.367(16) 13_456 13_455 ? Ge3 Pr2 Co1 96.865(15) 13 13_455 ? Ge5 Pr2 Co1 41.986(16) 13_455 13_455 ? Ge5 Pr2 Co1 96.22(3) 13 13_455 ? Ge2 Pr2 Co1 96.46(2) . 13_455 ? Ge2 Pr2 Co1 41.759(16) 1_554 13_455 ? Ge3 Pr2 Co1 138.076(17) . 13_455 ? Ge3 Pr2 Co1 83.98(2) 1_554 13_455 ? Ge3 Pr2 Co1 42.13(3) 13_556 13_556 ? Ge3 Pr2 Co1 171.66(3) 13_455 13_556 ? Ge3 Pr2 Co1 96.865(16) 13_456 13_556 ? Ge3 Pr2 Co1 97.367(16) 13 13_556 ? Ge5 Pr2 Co1 96.22(3) 13_455 13_556 ? Ge5 Pr2 Co1 41.986(16) 13 13_556 ? Ge2 Pr2 Co1 41.759(16) . 13_556 ? Ge2 Pr2 Co1 96.46(2) 1_554 13_556 ? Ge3 Pr2 Co1 83.97(2) . 13_556 ? Ge3 Pr2 Co1 138.076(17) 1_554 13_556 ? Co1 Pr2 Co1 129.53(4) 13_455 13_556 ? Sn2 Pr3 Sn2 180.0 1_454 . ? Sn2 Pr3 Sn2 90.288(15) 1_454 1_455 ? Sn2 Pr3 Sn2 89.712(15) . 1_455 ? Ge7 Pr3 Ge7 180.00(13) 9_656 1_454 ? Ge7 Pr3 Ge7 153.74(13) 9_656 9 ? Ge7 Pr3 Ge7 26.26(13) 1_454 9 ? Ge7 Pr3 Ge7 86.77(3) 9_656 9_556 ? Ge7 Pr3 Ge7 93.23(3) 1_454 9_556 ? Ge7 Pr3 Ge7 87.32(3) 9 9_556 ? Ge7 Pr3 Ge7 87.32(3) 9_656 9_655 ? Ge7 Pr3 Ge7 92.68(3) 1_454 9_655 ? Ge7 Pr3 Ge7 86.77(3) 9 9_655 ? Ge7 Pr3 Ge7 153.74(13) 9_556 9_655 ? Ge7 Pr3 Ge7 92.68(3) 9_656 1_455 ? Ge7 Pr3 Ge7 87.32(3) 1_454 1_455 ? Ge7 Pr3 Ge7 93.23(3) 9 1_455 ? Ge7 Pr3 Ge7 26.26(13) 9_556 1_455 ? Ge7 Pr3 Ge7 180.00(13) 9_655 1_455 ? Ge7 Pr3 Ge7 93.23(3) 9_656 1_554 ? Ge7 Pr3 Ge7 86.77(3) 1_454 1_554 ? Ge7 Pr3 Ge7 92.68(3) 9 1_554 ? Ge7 Pr3 Ge7 180.00(13) 9_556 1_554 ? Ge7 Pr3 Ge7 26.26(13) 9_655 1_554 ? Ge7 Pr3 Ge7 153.74(13) 1_455 1_554 ? Ge7 Pr3 Ge7 26.26(13) 9_656 . ? Ge7 Pr3 Ge7 153.74(13) 1_454 . ? Ge7 Pr3 Ge7 180.0 9 . ? Ge7 Pr3 Ge7 92.68(3) 9_556 . ? Ge7 Pr3 Ge7 93.23(3) 9_655 . ? Ge7 Pr3 Ge7 86.77(3) 1_455 . ? Ge7 Pr3 Ge7 87.32(3) 1_554 . ? Ge2 Co1 Ge2 131.79(7) 13_556 13_456 ? Ge2 Co1 Ge3 114.10(4) 13_556 . ? Ge2 Co1 Ge3 114.10(4) 13_456 . ? Ge2 Co1 Ge5 80.44(2) 13_556 1_556 ? Ge2 Co1 Ge5 80.44(2) 13_456 1_556 ? Ge3 Co1 Ge5 114.01(4) . 1_556 ? Ge2 Co1 Ge5 80.44(2) 13_556 . ? Ge2 Co1 Ge5 80.44(2) 13_456 . ? Ge3 Co1 Ge5 114.01(4) . . ? Ge5 Co1 Ge5 131.99(7) 1_556 . ? Ge2 Co1 Pr1 65.90(4) 13_556 . ? Ge2 Co1 Pr1 65.90(4) 13_456 . ? Ge3 Co1 Pr1 180.0 . . ? Ge5 Co1 Pr1 65.99(4) 1_556 . ? Ge5 Co1 Pr1 65.99(4) . . ? Ge2 Co1 Pr2 139.156(8) 13_556 13_455 ? Ge2 Co1 Pr2 65.90(2) 13_456 13_455 ? Ge3 Co1 Pr2 64.77(2) . 13_455 ? Ge5 Co1 Pr2 139.394(9) 1_556 13_455 ? Ge5 Co1 Pr2 65.65(2) . 13_455 ? Pr1 Co1 Pr2 115.23(2) . 13_455 ? Ge2 Co1 Pr2 65.90(2) 13_556 13_556 ? Ge2 Co1 Pr2 139.156(8) 13_456 13_556 ? Ge3 Co1 Pr2 64.77(2) . 13_556 ? Ge5 Co1 Pr2 65.65(2) 1_556 13_556 ? Ge5 Co1 Pr2 139.394(9) . 13_556 ? Pr1 Co1 Pr2 115.23(2) . 13_556 ? Pr2 Co1 Pr2 129.53(4) 13_455 13_556 ? Ge2 Co1 Pr2 65.90(2) 13_556 13 ? Ge2 Co1 Pr2 139.156(8) 13_456 13 ? Ge3 Co1 Pr2 64.77(2) . 13 ? Ge5 Co1 Pr2 139.394(9) 1_556 13 ? Ge5 Co1 Pr2 65.65(2) . 13 ? Pr1 Co1 Pr2 115.23(2) . 13 ? Pr2 Co1 Pr2 79.29(2) 13_455 13 ? Pr2 Co1 Pr2 79.77(2) 13_556 13 ? Ge2 Co1 Pr2 139.156(8) 13_556 13_456 ? Ge2 Co1 Pr2 65.90(2) 13_456 13_456 ? Ge3 Co1 Pr2 64.77(2) . 13_456 ? Ge5 Co1 Pr2 65.65(2) 1_556 13_456 ? Ge5 Co1 Pr2 139.394(9) . 13_456 ? Pr1 Co1 Pr2 115.23(2) . 13_456 ? Pr2 Co1 Pr2 79.77(2) 13_455 13_456 ? Pr2 Co1 Pr2 79.29(2) 13_556 13_456 ? Pr2 Co1 Pr2 129.53(4) 13 13_456 ? Co3 Ge1 Co3 135.4(3) . 1_455 ? Co3 Ge1 Co2 98.60(5) . 1_556 ? Co3 Ge1 Co2 98.60(5) 1_455 1_556 ? Co3 Ge1 Co2 98.60(5) . . ? Co3 Ge1 Co2 98.60(5) 1_455 . ? Co2 Ge1 Co2 133.60(9) 1_556 . ? Co3 Ge1 Ge7 119.19(17) . 9_556 ? Co3 Ge1 Ge7 16.20(14) 1_455 9_556 ? Co2 Ge1 Ge7 104.20(3) 1_556 9_556 ? Co2 Ge1 Ge7 104.20(3) . 9_556 ? Co3 Ge1 Ge7 16.20(14) . 9_656 ? Co3 Ge1 Ge7 119.19(17) 1_455 9_656 ? Co2 Ge1 Ge7 104.20(3) 1_556 9_656 ? Co2 Ge1 Ge7 104.20(3) . 9_656 ? Ge7 Ge1 Ge7 102.99(12) 9_556 9_656 ? Co3 Ge1 Pr3 73.55(10) . . ? Co3 Ge1 Pr3 73.55(10) 1_455 . ? Co2 Ge1 Pr3 154.94(6) 1_556 . ? Co2 Ge1 Pr3 71.45(4) . . ? Ge7 Ge1 Pr3 62.32(4) 9_556 . ? Ge7 Ge1 Pr3 62.32(4) 9_656 . ? Co3 Ge1 Pr3 73.55(10) . 1_556 ? Co3 Ge1 Pr3 73.55(10) 1_455 1_556 ? Co2 Ge1 Pr3 71.45(4) 1_556 1_556 ? Co2 Ge1 Pr3 154.94(6) . 1_556 ? Ge7 Ge1 Pr3 62.32(4) 9_556 1_556 ? Ge7 Ge1 Pr3 62.32(4) 9_656 1_556 ? Pr3 Ge1 Pr3 83.49(3) . 1_556 ? Co3 Ge1 Pr1 71.80(14) . 13_556 ? Co3 Ge1 Pr1 152.81(14) 1_455 13_556 ? Co2 Ge1 Pr1 72.57(4) 1_556 13_556 ? Co2 Ge1 Pr1 72.57(4) . 13_556 ? Ge7 Ge1 Pr1 169.01(7) 9_556 13_556 ? Ge7 Ge1 Pr1 88.00(6) 9_656 13_556 ? Pr3 Ge1 Pr1 124.562(8) . 13_556 ? Pr3 Ge1 Pr1 124.562(8) 1_556 13_556 ? Co3 Ge1 Pr1 152.81(14) . 13_456 ? Co3 Ge1 Pr1 71.80(14) 1_455 13_456 ? Co2 Ge1 Pr1 72.57(4) 1_556 13_456 ? Co2 Ge1 Pr1 72.57(4) . 13_456 ? Ge7 Ge1 Pr1 88.00(6) 9_556 13_456 ? Ge7 Ge1 Pr1 169.01(7) 9_656 13_456 ? Pr3 Ge1 Pr1 124.562(8) . 13_456 ? Pr3 Ge1 Pr1 124.562(8) 1_556 13_456 ? Pr1 Ge1 Pr1 81.01(3) 13_556 13_456 ? Co1 Ge2 Co1 131.80(7) 13_556 13_456 ? Co1 Ge2 Ge4 104.58(2) 13_556 1_556 ? Co1 Ge2 Ge4 104.58(2) 13_456 1_556 ? Co1 Ge2 Ge4 104.58(2) 13_556 . ? Co1 Ge2 Ge4 104.58(2) 13_456 . ? Ge4 Ge2 Ge4 103.88(6) 1_556 . ? Co1 Ge2 Pr1 156.24(4) 13_556 13_456 ? Co1 Ge2 Pr1 71.96(3) 13_456 13_456 ? Ge4 Ge2 Pr1 62.80(2) 1_556 13_456 ? Ge4 Ge2 Pr1 62.80(2) . 13_456 ? Co1 Ge2 Pr1 71.96(3) 13_556 13_556 ? Co1 Ge2 Pr1 156.24(4) 13_456 13_556 ? Ge4 Ge2 Pr1 62.80(2) 1_556 13_556 ? Ge4 Ge2 Pr1 62.80(2) . 13_556 ? Pr1 Ge2 Pr1 84.28(3) 13_456 13_556 ? Co1 Ge2 Pr2 72.34(3) 13_556 1_556 ? Co1 Ge2 Pr2 72.34(3) 13_456 1_556 ? Ge4 Ge2 Pr2 86.04(3) 1_556 1_556 ? Ge4 Ge2 Pr2 170.08(4) . 1_556 ? Pr1 Ge2 Pr2 123.427(8) 13_456 1_556 ? Pr1 Ge2 Pr2 123.427(9) 13_556 1_556 ? Co1 Ge2 Pr2 72.34(3) 13_556 . ? Co1 Ge2 Pr2 72.34(3) 13_456 . ? Ge4 Ge2 Pr2 170.08(4) 1_556 . ? Ge4 Ge2 Pr2 86.04(3) . . ? Pr1 Ge2 Pr2 123.427(8) 13_456 . ? Pr1 Ge2 Pr2 123.427(9) 13_556 . ? Pr2 Ge2 Pr2 84.04(3) 1_556 . ? Co1 Ge3 Ge3 125.27(4) . 13_456 ? Co1 Ge3 Ge3 125.27(4) . 13_556 ? Ge3 Ge3 Ge3 109.46(7) 13_456 13_556 ? Co1 Ge3 Pr2 73.11(2) . 13_556 ? Ge3 Ge3 Pr2 135.96(2) 13_456 13_556 ? Ge3 Ge3 Pr2 67.469(16) 13_556 13_556 ? Co1 Ge3 Pr2 73.11(2) . 13_455 ? Ge3 Ge3 Pr2 67.469(16) 13_456 13_455 ? Ge3 Ge3 Pr2 135.96(2) 13_556 13_455 ? Pr2 Ge3 Pr2 146.21(4) 13_556 13_455 ? Co1 Ge3 Pr2 73.11(2) . 13 ? Ge3 Ge3 Pr2 135.96(2) 13_456 13 ? Ge3 Ge3 Pr2 67.469(16) 13_556 13 ? Pr2 Ge3 Pr2 85.420(18) 13_556 13 ? Pr2 Ge3 Pr2 84.891(18) 13_455 13 ? Co1 Ge3 Pr2 73.11(2) . 13_456 ? Ge3 Ge3 Pr2 67.469(16) 13_456 13_456 ? Ge3 Ge3 Pr2 135.96(2) 13_556 13_456 ? Pr2 Ge3 Pr2 84.891(18) 13_556 13_456 ? Pr2 Ge3 Pr2 85.420(18) 13_455 13_456 ? Pr2 Ge3 Pr2 146.21(4) 13 13_456 ? Co1 Ge3 Pr2 138.546(14) . . ? Ge3 Ge3 Pr2 64.35(3) 13_456 . ? Ge3 Ge3 Pr2 64.35(3) 13_556 . ? Pr2 Ge3 Pr2 131.82(2) 13_556 . ? Pr2 Ge3 Pr2 76.630(17) 13_455 . ? Pr2 Ge3 Pr2 76.630(17) 13 . ? Pr2 Ge3 Pr2 131.82(2) 13_456 . ? Co1 Ge3 Pr2 138.546(14) . 1_556 ? Ge3 Ge3 Pr2 64.35(3) 13_456 1_556 ? Ge3 Ge3 Pr2 64.35(3) 13_556 1_556 ? Pr2 Ge3 Pr2 76.630(16) 13_556 1_556 ? Pr2 Ge3 Pr2 131.82(2) 13_455 1_556 ? Pr2 Ge3 Pr2 131.82(2) 13 1_556 ? Pr2 Ge3 Pr2 76.630(16) 13_456 1_556 ? Pr2 Ge3 Pr2 82.91(3) . 1_556 ? Co1 Ge5 Co1 131.99(7) 1_554 . ? Co1 Ge5 Ge4 104.57(2) 1_554 13 ? Co1 Ge5 Ge4 104.568(19) . 13 ? Co1 Ge5 Ge4 104.57(2) 1_554 13_455 ? Co1 Ge5 Ge4 104.57(2) . 13_455 ? Ge4 Ge5 Ge4 103.62(7) 13 13_455 ? Co1 Ge5 Pr1 71.71(3) 1_554 1_554 ? Co1 Ge5 Pr1 156.30(5) . 1_554 ? Ge4 Ge5 Pr1 62.78(3) 13 1_554 ? Ge4 Ge5 Pr1 62.78(3) 13_455 1_554 ? Co1 Ge5 Pr1 156.29(5) 1_554 . ? Co1 Ge5 Pr1 71.72(3) . . ? Ge4 Ge5 Pr1 62.78(3) 13 . ? Ge4 Ge5 Pr1 62.78(3) 13_455 . ? Pr1 Ge5 Pr1 84.58(3) 1_554 . ? Co1 Ge5 Pr2 72.37(3) 1_554 13_455 ? Co1 Ge5 Pr2 72.37(3) . 13_455 ? Ge4 Ge5 Pr2 170.06(4) 13 13_455 ? Ge4 Ge5 Pr2 86.32(3) 13_455 13_455 ? Pr1 Ge5 Pr2 123.426(9) 1_554 13_455 ? Pr1 Ge5 Pr2 123.427(9) . 13_455 ? Co1 Ge5 Pr2 72.37(3) 1_554 13 ? Co1 Ge5 Pr2 72.37(3) . 13 ? Ge4 Ge5 Pr2 86.32(3) 13 13 ? Ge4 Ge5 Pr2 170.06(4) 13_455 13 ? Pr1 Ge5 Pr2 123.426(9) 1_554 13 ? Pr1 Ge5 Pr2 123.427(9) . 13 ? Pr2 Ge5 Pr2 83.74(3) 13_455 13 ? Co3 Ge6 Co3 135.5(3) 13_556 13 ? Co3 Ge6 Co2 98.60(5) 13_556 13_455 ? Co3 Ge6 Co2 98.60(5) 13 13_455 ? Co3 Ge6 Co2 98.60(6) 13_556 13 ? Co3 Ge6 Co2 98.60(6) 13 13 ? Co2 Ge6 Co2 133.49(9) 13_455 13 ? Co3 Ge6 Ge7 16.14(14) 13_556 5_455 ? Co3 Ge6 Ge7 119.35(17) 13 5_455 ? Co2 Ge6 Ge7 104.20(3) 13_455 5_455 ? Co2 Ge6 Ge7 104.20(3) 13 5_455 ? Co3 Ge6 Ge7 119.35(17) 13_556 5_454 ? Co3 Ge6 Ge7 16.14(14) 13 5_454 ? Co2 Ge6 Ge7 104.20(3) 13_455 5_454 ? Co2 Ge6 Ge7 104.20(3) 13 5_454 ? Ge7 Ge6 Ge7 103.20(12) 5_455 5_454 ? Co3 Ge6 Pr3 73.54(10) 13_556 5 ? Co3 Ge6 Pr3 73.54(10) 13 5 ? Co2 Ge6 Pr3 154.83(5) 13_455 5 ? Co2 Ge6 Pr3 71.68(4) 13 5 ? Ge7 Ge6 Pr3 62.31(4) 5_455 5 ? Ge7 Ge6 Pr3 62.31(4) 5_454 5 ? Co3 Ge6 Pr3 73.54(10) 13_556 5_455 ? Co3 Ge6 Pr3 73.54(10) 13 5_455 ? Co2 Ge6 Pr3 71.68(4) 13_455 5_455 ? Co2 Ge6 Pr3 154.83(5) 13 5_455 ? Ge7 Ge6 Pr3 62.31(4) 5_455 5_455 ? Ge7 Ge6 Pr3 62.31(4) 5_454 5_455 ? Pr3 Ge6 Pr3 83.16(3) 5 5_455 ? Co3 Ge6 Pr1 71.58(14) 13_556 . ? Co3 Ge6 Pr1 152.93(14) 13 . ? Co2 Ge6 Pr1 72.58(4) 13_455 . ? Co2 Ge6 Pr1 72.58(4) 13 . ? Ge7 Ge6 Pr1 87.72(6) 5_455 . ? Ge7 Ge6 Pr1 169.07(6) 5_454 . ? Pr3 Ge6 Pr1 124.566(8) 5 . ? Pr3 Ge6 Pr1 124.566(8) 5_455 . ? Co3 Ge6 Pr1 152.93(14) 13_556 1_554 ? Co3 Ge6 Pr1 71.58(14) 13 1_554 ? Co2 Ge6 Pr1 72.58(4) 13_455 1_554 ? Co2 Ge6 Pr1 72.58(4) 13 1_554 ? Ge7 Ge6 Pr1 169.07(6) 5_455 1_554 ? Ge7 Ge6 Pr1 87.73(6) 5_454 1_554 ? Pr3 Ge6 Pr1 124.567(8) 5 1_554 ? Pr3 Ge6 Pr1 124.567(8) 5_455 1_554 ? Pr1 Ge6 Pr1 81.35(3) . 1_554 ? Ge4 Co2 Ge6 113.26(5) . 13_455 ? Ge4 Co2 Ge6 113.26(5) . 13 ? Ge6 Co2 Ge6 133.49(9) 13_455 13 ? Ge4 Co2 Ge1 113.20(5) . 1_554 ? Ge6 Co2 Ge1 81.05(3) 13_455 1_554 ? Ge6 Co2 Ge1 81.05(3) 13 1_554 ? Ge4 Co2 Ge1 113.20(5) . . ? Ge6 Co2 Ge1 81.05(3) 13_455 . ? Ge6 Co2 Ge1 81.05(3) 13 . ? Ge1 Co2 Ge1 133.60(9) 1_554 . ? Ge4 Co2 Pr3 180.0 . . ? Ge6 Co2 Pr3 66.74(5) 13_455 . ? Ge6 Co2 Pr3 66.74(5) 13 . ? Ge1 Co2 Pr3 66.80(5) 1_554 . ? Ge1 Co2 Pr3 66.80(5) . . ? Ge4 Co2 Pr1 62.44(3) . 13_556 ? Ge6 Co2 Pr1 139.215(13) 13_455 13_556 ? Ge6 Co2 Pr1 66.93(2) 13 13_556 ? Ge1 Co2 Pr1 139.454(13) 1_554 13_556 ? Ge1 Co2 Pr1 66.71(2) . 13_556 ? Pr3 Co2 Pr1 117.56(3) . 13_556 ? Ge4 Co2 Pr1 62.44(3) . 13_455 ? Ge6 Co2 Pr1 66.93(2) 13_455 13_455 ? Ge6 Co2 Pr1 139.215(13) 13 13_455 ? Ge1 Co2 Pr1 66.71(2) 1_554 13_455 ? Ge1 Co2 Pr1 139.454(13) . 13_455 ? Pr3 Co2 Pr1 117.56(3) . 13_455 ? Pr1 Co2 Pr1 124.89(5) 13_556 13_455 ? Ge4 Co2 Pr1 62.44(3) . 13_456 ? Ge6 Co2 Pr1 66.93(2) 13_455 13_456 ? Ge6 Co2 Pr1 139.215(13) 13 13_456 ? Ge1 Co2 Pr1 139.454(13) 1_554 13_456 ? Ge1 Co2 Pr1 66.71(2) . 13_456 ? Pr3 Co2 Pr1 117.56(3) . 13_456 ? Pr1 Co2 Pr1 77.41(3) 13_556 13_456 ? Pr1 Co2 Pr1 77.87(3) 13_455 13_456 ? Ge4 Co2 Pr1 62.44(3) . 13 ? Ge6 Co2 Pr1 139.215(13) 13_455 13 ? Ge6 Co2 Pr1 66.93(2) 13 13 ? Ge1 Co2 Pr1 66.71(2) 1_554 13 ? Ge1 Co2 Pr1 139.454(13) . 13 ? Pr3 Co2 Pr1 117.56(3) . 13 ? Pr1 Co2 Pr1 77.87(3) 13_556 13 ? Pr1 Co2 Pr1 77.41(3) 13_455 13 ? Pr1 Co2 Pr1 124.89(5) 13_456 13 ? Co2 Ge4 Ge5 128.19(3) . 13 ? Co2 Ge4 Ge5 128.19(3) . 13_455 ? Ge5 Ge4 Ge5 103.62(7) 13 13_455 ? Co2 Ge4 Ge2 128.06(3) . 1_554 ? Ge5 Ge4 Ge2 67.59(3) 13 1_554 ? Ge5 Ge4 Ge2 67.59(3) 13_455 1_554 ? Co2 Ge4 Ge2 128.06(3) . . ? Ge5 Ge4 Ge2 67.59(3) 13 . ? Ge5 Ge4 Ge2 67.59(3) 13_455 . ? Ge2 Ge4 Ge2 103.88(6) 1_554 . ? Co2 Ge4 Pr1 77.35(3) . 13_455 ? Ge5 Ge4 Pr1 132.55(3) 13 13_455 ? Ge5 Ge4 Pr1 66.077(17) 13_455 13_455 ? Ge2 Ge4 Pr1 65.819(16) 1_554 13_455 ? Ge2 Ge4 Pr1 132.81(3) . 13_455 ? Co2 Ge4 Pr1 77.35(3) . 13_556 ? Ge5 Ge4 Pr1 66.077(17) 13 13_556 ? Ge5 Ge4 Pr1 132.55(3) 13_455 13_556 ? Ge2 Ge4 Pr1 132.81(3) 1_554 13_556 ? Ge2 Ge4 Pr1 65.820(16) . 13_556 ? Pr1 Ge4 Pr1 154.70(6) 13_455 13_556 ? Co2 Ge4 Pr1 77.35(3) . 13_456 ? Ge5 Ge4 Pr1 132.55(3) 13 13_456 ? Ge5 Ge4 Pr1 66.077(17) 13_455 13_456 ? Ge2 Ge4 Pr1 132.81(3) 1_554 13_456 ? Ge2 Ge4 Pr1 65.820(16) . 13_456 ? Pr1 Ge4 Pr1 87.526(19) 13_455 13_456 ? Pr1 Ge4 Pr1 86.977(19) 13_556 13_456 ? Co2 Ge4 Pr1 77.35(3) . 13 ? Ge5 Ge4 Pr1 66.077(17) 13 13 ? Ge5 Ge4 Pr1 132.55(3) 13_455 13 ? Ge2 Ge4 Pr1 65.819(16) 1_554 13 ? Ge2 Ge4 Pr1 132.81(3) . 13 ? Pr1 Ge4 Pr1 86.977(19) 13_455 13 ? Pr1 Ge4 Pr1 87.526(18) 13_556 13 ? Pr1 Ge4 Pr1 154.70(6) 13_456 13 ? Pr1 Sn1 Pr1 179.7(2) 13_556 13_455 ? Pr1 Sn1 Pr1 90.287(15) 13_556 13 ? Pr1 Sn1 Pr1 89.712(15) 13_455 13 ? Pr1 Sn1 Pr1 89.712(15) 13_556 13_456 ? Pr1 Sn1 Pr1 90.287(15) 13_455 13_456 ? Pr1 Sn1 Pr1 179.7(2) 13 13_456 ? Ge7 Co3 Ge7 0.0 9_656 . ? Ge7 Co3 Ge1 112.31(14) 9_656 1_655 ? Ge7 Co3 Ge1 112.31(14) . 1_655 ? Ge7 Co3 Ge1 112.31(14) 9_656 . ? Ge7 Co3 Ge1 112.31(14) . . ? Ge1 Co3 Ge1 135.4(3) 1_655 . ? Ge7 Co3 Ge6 112.25(14) 9_656 13_556 ? Ge7 Co3 Ge6 112.25(14) . 13_556 ? Ge1 Co3 Ge6 81.74(10) 1_655 13_556 ? Ge1 Co3 Ge6 81.74(10) . 13_556 ? Ge7 Co3 Ge6 112.25(14) 9_656 13 ? Ge7 Co3 Ge6 112.25(14) . 13 ? Ge1 Co3 Ge6 81.74(10) 1_655 13 ? Ge1 Co3 Ge6 81.74(10) . 13 ? Ge6 Co3 Ge6 135.5(3) 13_556 13 ? Ge7 Co3 Pr1 180.0 9_656 13_556 ? Ge7 Co3 Pr1 180.0 . 13_556 ? Ge1 Co3 Pr1 67.69(14) 1_655 13_556 ? Ge1 Co3 Pr1 67.69(14) . 13_556 ? Ge6 Co3 Pr1 67.75(14) 13_556 13_556 ? Ge6 Co3 Pr1 67.75(14) 13 13_556 ? Ge7 Co3 Pr3 63.21(9) 9_656 . ? Ge7 Co3 Pr3 63.21(9) . . ? Ge1 Co3 Pr3 138.90(3) 1_655 . ? Ge1 Co3 Pr3 65.71(4) . . ? Ge6 Co3 Pr3 139.14(3) 13_556 . ? Ge6 Co3 Pr3 65.48(4) 13 . ? Pr1 Co3 Pr3 116.79(9) 13_556 . ? Ge7 Co3 Pr3 63.21(9) 9_656 1_656 ? Ge7 Co3 Pr3 63.21(9) . 1_656 ? Ge1 Co3 Pr3 65.71(4) 1_655 1_656 ? Ge1 Co3 Pr3 138.90(3) . 1_656 ? Ge6 Co3 Pr3 65.48(4) 13_556 1_656 ? Ge6 Co3 Pr3 139.14(3) 13 1_656 ? Pr1 Co3 Pr3 116.79(9) 13_556 1_656 ? Pr3 Co3 Pr3 126.41(18) . 1_656 ? Ge7 Co3 Pr3 63.21(9) 9_656 1_556 ? Ge7 Co3 Pr3 63.21(9) . 1_556 ? Ge1 Co3 Pr3 138.90(3) 1_655 1_556 ? Ge1 Co3 Pr3 65.71(4) . 1_556 ? Ge6 Co3 Pr3 65.48(4) 13_556 1_556 ? Ge6 Co3 Pr3 139.14(3) 13 1_556 ? Pr1 Co3 Pr3 116.79(9) 13_556 1_556 ? Pr3 Co3 Pr3 78.51(8) . 1_556 ? Pr3 Co3 Pr3 78.04(8) 1_656 1_556 ? Ge7 Co3 Pr3 63.21(9) 9_656 1_655 ? Ge7 Co3 Pr3 63.21(9) . 1_655 ? Ge1 Co3 Pr3 65.71(4) 1_655 1_655 ? Ge1 Co3 Pr3 138.90(3) . 1_655 ? Ge6 Co3 Pr3 139.14(3) 13_556 1_655 ? Ge6 Co3 Pr3 65.48(4) 13 1_655 ? Pr1 Co3 Pr3 116.79(9) 13_556 1_655 ? Pr3 Co3 Pr3 78.04(8) . 1_655 ? Pr3 Co3 Pr3 78.51(8) 1_656 1_655 ? Pr3 Co3 Pr3 126.41(18) 1_556 1_655 ? Co3 Ge7 Ge7 180.0 9_656 9_656 ? Co3 Ge7 Co3 180.0 9_656 . ? Ge7 Ge7 Co3 0.0 9_656 . ? Co3 Ge7 Ge1 51.50(6) 9_656 9_556 ? Ge7 Ge7 Ge1 128.50(6) 9_656 9_556 ? Co3 Ge7 Ge1 128.50(6) . 9_556 ? Co3 Ge7 Ge1 51.50(6) 9_656 9_656 ? Ge7 Ge7 Ge1 128.50(6) 9_656 9_656 ? Co3 Ge7 Ge1 128.50(6) . 9_656 ? Ge1 Ge7 Ge1 103.00(12) 9_556 9_656 ? Co3 Ge7 Ge6 51.60(6) 9_656 5_545 ? Ge7 Ge7 Ge6 128.40(6) 9_656 5_545 ? Co3 Ge7 Ge6 128.40(6) . 5_545 ? Ge1 Ge7 Ge6 67.25(6) 9_556 5_545 ? Ge1 Ge7 Ge6 67.25(6) 9_656 5_545 ? Co3 Ge7 Ge6 51.60(6) 9_656 5_546 ? Ge7 Ge7 Ge6 128.40(6) 9_656 5_546 ? Co3 Ge7 Ge6 128.40(6) . 5_546 ? Ge1 Ge7 Ge6 67.25(6) 9_556 5_546 ? Ge1 Ge7 Ge6 67.25(6) 9_656 5_546 ? Ge6 Ge7 Ge6 103.21(12) 5_545 5_546 ? Co3 Ge7 Pr3 103.13(6) 9_656 1_656 ? Ge7 Ge7 Pr3 76.87(6) 9_656 1_656 ? Co3 Ge7 Pr3 76.87(6) . 1_656 ? Ge1 Ge7 Pr3 132.76(6) 9_556 1_656 ? Ge1 Ge7 Pr3 66.66(2) 9_656 1_656 ? Ge6 Ge7 Pr3 133.01(6) 5_545 1_656 ? Ge6 Ge7 Pr3 66.43(2) 5_546 1_656 ? Co3 Ge7 Pr3 103.13(6) 9_656 . ? Ge7 Ge7 Pr3 76.87(6) 9_656 . ? Co3 Ge7 Pr3 76.87(6) . . ? Ge1 Ge7 Pr3 66.66(2) 9_556 . ? Ge1 Ge7 Pr3 132.76(6) 9_656 . ? Ge6 Ge7 Pr3 66.43(2) 5_545 . ? Ge6 Ge7 Pr3 133.01(6) 5_546 . ? Pr3 Ge7 Pr3 153.74(13) 1_656 . ? Co3 Ge7 Pr3 103.13(6) 9_656 1_655 ? Ge7 Ge7 Pr3 76.87(6) 9_656 1_655 ? Co3 Ge7 Pr3 76.87(6) . 1_655 ? Ge1 Ge7 Pr3 132.76(6) 9_556 1_655 ? Ge1 Ge7 Pr3 66.66(2) 9_656 1_655 ? Ge6 Ge7 Pr3 66.43(2) 5_545 1_655 ? Ge6 Ge7 Pr3 133.01(6) 5_546 1_655 ? Pr3 Ge7 Pr3 87.32(3) 1_656 1_655 ? Pr3 Ge7 Pr3 86.77(3) . 1_655 ? Co3 Ge7 Pr3 103.13(6) 9_656 1_556 ? Ge7 Ge7 Pr3 76.87(6) 9_656 1_556 ? Co3 Ge7 Pr3 76.87(6) . 1_556 ? Ge1 Ge7 Pr3 66.66(2) 9_556 1_556 ? Ge1 Ge7 Pr3 132.76(6) 9_656 1_556 ? Ge6 Ge7 Pr3 133.01(6) 5_545 1_556 ? Ge6 Ge7 Pr3 66.43(2) 5_546 1_556 ? Pr3 Ge7 Pr3 86.77(3) 1_656 1_556 ? Pr3 Ge7 Pr3 87.32(3) . 1_556 ? Pr3 Ge7 Pr3 153.74(13) 1_655 1_556 ? Pr3 Sn2 Pr3 180.0 1_656 . ? Pr3 Sn2 Pr3 90.288(15) 1_656 1_655 ? Pr3 Sn2 Pr3 89.712(15) . 1_655 ? Pr3 Sn2 Pr3 89.712(15) 1_656 1_556 ? Pr3 Sn2 Pr3 90.288(15) . 1_556 ? Pr3 Sn2 Pr3 180.0 1_655 1_556 ? _refine_diff_density_max 3.212 _refine_diff_density_min -3.396 _refine_diff_density_rms 0.674 _shelx_res_file ; TITL scd2285_a.res in Cmmm shelx.res created by SHELXL-2018/3 at 20:41:36 on 27-Feb-2022 REM Old TITL scd2285 in Cmcm REM SHELXT solution in Cmmm REM R1 0.181, Rweak 0.001, Alpha 0.062, Orientation as input REM Formula found by SHELXT: Co3 Ge14 Pr5 CELL 0.71073 4.2899 45.4870 4.3115 90.000 90.000 90.000 ZERR 2.000 0.0009 0.0079 0.0007 0.000 0.000 0.000 LATT 7 SYMM -X, -Y, Z SYMM -X, Y, -Z SYMM X, -Y, -Z SFAC CO GE PR SN UNIT 8.44 24.96 10 1.04 Size 0.14 0.12 0.02 ACTA TEMP 27 L.S. 6 BOND LIST 6 FMAP 2 PLAN 5 EADP Sn1 CO2 GE4 EADP Sn2 Ge7 Co3 SUMP 1.00000000000000000000 0.00000000000000000000000001 1 2 1 3 SUMP 1.00000000000000000000 0.00000000000000000000000001 1 4 1 5 WGHT 0.049000 11.288100 EXTI 0.001706 FVAR 0.11164 0.12437 0.87562 0.73026 0.26973 0.82874 0.56349 FVAR 0.02860 PR1 3 0.000000 0.391696 0.500000 10.25000 0.00886 0.00297 = 0.00856 0.00000 0.00000 0.00000 PR2 3 0.000000 0.213021 0.000000 10.25000 0.00747 0.00280 = 0.00622 0.00000 0.00000 0.00000 PR3 3 0.000000 0.000000 0.000000 10.12500 0.01157 0.00292 = 0.01166 0.00000 0.00000 0.00000 CO1 1 0.000000 0.318486 0.500000 10.25000 0.00547 0.00325 = 0.00528 0.00000 0.00000 0.00000 GE1 2 0.000000 0.053108 0.500000 10.25000 0.01340 0.00669 = 0.00813 0.00000 0.00000 0.00000 GE2 2 0.000000 0.160419 0.500000 10.25000 0.00603 0.00267 = 0.01053 0.00000 0.00000 0.00000 GE3 2 0.000000 0.266675 0.500000 10.25000 0.00617 0.00147 = 0.00891 0.00000 0.00000 0.00000 GE5 2 0.000000 0.339592 0.000000 10.25000 0.01047 0.00288 = 0.00473 0.00000 0.00000 0.00000 GE6 2 0.000000 0.446846 0.000000 10.25000 0.00958 0.00667 = 0.01256 0.00000 0.00000 0.00000 Part 1 CO2 1 0.000000 0.073419 0.000000 60.25000 0.01017 0.00769 = 0.00906 0.00000 0.00000 0.00000 GE4 2 0.000000 0.123311 0.000000 30.25000 0.01017 0.00769 = 0.00906 0.00000 0.00000 0.00000 Part 2 SN1 4 0.000000 0.108126 0.000000 20.25000 0.01017 0.00769 = 0.00906 0.00000 0.00000 0.00000 Part 0 Part 1 CO3 1 0.500000 0.033763 0.500000 70.12495 0.01161 0.01778 = 0.01026 0.00000 0.00000 0.00000 GE7 2 0.500000 -0.015596 0.500000 40.12500 0.01161 0.01778 = 0.01026 0.00000 0.00000 0.00000 Part 2 SN2 4 0.500000 0.000000 0.500000 50.12500 0.01161 0.01778 = 0.01026 0.00000 0.00000 0.00000 Part 0 HKLF 4 REM scd2285_a.res in Cmmm REM wR2 = 0.0939, GooF = S = 1.161, Restrained GooF = 1.160 for all data REM R1 = 0.0327 for 718 Fo > 4sig(Fo) and 0.0379 for all 817 data REM 55 parameters refined using 2 restraints END WGHT 0.0490 11.2938 REM Highest difference peak 3.212, deepest hole -3.396, 1-sigma level 0.674 Q1 1 0.0000 0.0952 0.0000 10.25000 0.05 3.21 Q2 1 0.0000 0.0000 0.1989 10.25000 0.05 1.87 Q3 1 0.0000 0.0549 0.3517 10.50000 0.05 1.75 Q4 1 0.2179 0.4467 -0.2313 11.00000 0.05 1.75 Q5 1 0.1999 0.3909 0.7335 11.00000 0.05 1.73 ; _shelx_res_checksum 59224 _shelx_hkl_file ; 2 0 0 8611.64 728.73 2 0 0 8979.30 728.93 -2 0 0 8884.61 727.43 4 0 0 5900.91 498.85 4 0 0 5494.55 498.65 -4 0 0 6573.24 496.55 4 0 0 5891.41 497.25 4 0 0 5904.01 497.85 -4 0 0 6182.88 497.75 6 0 0 2364.96 211.88 -6 0 0 2677.43 213.88 -6 0 0 2514.35 210.88 6 0 0 2565.84 212.98 6 0 0 2451.15 212.98 6 0 0 2474.75 217.48 -1 1 0 1.30 0.90 1 -1 0 1.60 1.20 1 -1 0 0.30 0.30 -1 -1 0 1.00 1.00 -1 -1 0 0.90 0.70 -1 -1 0 1.60 0.70 -1 -1 0 0.60 0.30 -1 -1 0 0.90 0.50 -1 -1 0 0.30 1.20 -1 -1 0 0.80 0.80 -1 1 0 2.20 0.50 1 1 0 -0.50 0.80 1 1 0 1.30 0.70 1 1 0 2.60 0.70 1 1 0 1.40 1.00 1 1 0 0.50 0.90 1 1 0 1.00 1.30 1 -1 0 3.60 1.20 1 -1 0 0.80 0.60 1 -1 0 1.20 0.90 1 -1 0 -1.20 0.80 -1 1 0 0.70 0.50 -1 1 0 -0.50 1.00 -1 1 0 0.20 1.00 1 -1 0 0.00 0.70 -1 1 0 0.80 0.80 3 -1 0 -0.30 2.90 -3 1 0 0.70 2.20 -3 1 0 0.30 1.50 3 1 0 1.40 3.20 3 -1 0 11.40 5.20 3 -1 0 0.50 2.50 3 1 0 2.00 2.40 3 1 0 4.20 2.90 -3 -1 0 -0.50 1.60 3 1 0 -0.20 4.60 -3 1 0 0.10 2.60 3 -1 0 -0.40 2.50 -3 -1 0 -3.10 2.20 -3 -1 0 3.00 1.90 5 -1 0 -2.40 8.40 5 1 0 -3.10 5.10 5 1 0 -0.50 6.40 5 1 0 -4.20 10.40 -5 -1 0 1.50 6.80 -5 -1 0 -2.70 3.60 -5 1 0 1.90 3.90 5 -1 0 -2.70 11.20 5 -1 0 4.10 6.10 5 -1 0 -7.20 8.80 5 1 0 4.40 8.90 -2 -2 0 0.50 1.40 2 -2 0 2.20 1.80 -2 2 0 4.00 1.70 -2 -2 0 -0.10 0.90 2 -2 0 10.00 2.10 2 2 0 3.00 2.00 2 2 0 2.80 1.60 2 2 0 3.70 2.20 2 2 0 9.40 3.60 -2 -2 0 0.30 0.80 2 -2 0 4.50 1.90 -2 2 0 1.50 1.00 2 2 0 2.80 2.10 2 -2 0 4.50 1.00 2 -2 0 9.20 3.20 4 -2 0 4.80 4.10 -4 -2 0 4.90 4.80 -4 -2 0 2.20 3.90 4 2 0 1.90 4.20 4 2 0 13.60 5.50 -4 2 0 8.30 6.40 -4 -2 0 1.80 2.70 -4 2 0 4.30 4.50 4 -2 0 6.50 5.40 4 2 0 6.40 3.80 -4 2 0 1.60 2.80 4 -2 0 9.30 4.90 6 -2 0 15.00 8.60 6 -2 0 5.90 16.00 -6 -2 0 9.20 10.00 -6 -2 0 3.70 6.20 -6 2 0 -7.20 10.90 6 2 0 0.20 9.70 -6 2 0 12.70 5.70 6 2 0 14.40 11.80 6 2 0 4.90 16.40 6 -2 0 -5.40 9.70 6 2 0 -1.50 11.30 -1 -3 0 23.90 3.00 -1 -3 0 28.40 3.00 1 3 0 20.40 3.70 1 -3 0 34.40 3.40 1 -3 0 27.10 2.60 1 3 0 32.10 3.30 1 -3 0 28.80 2.90 1 -3 0 26.00 3.00 -1 -3 0 24.50 2.90 -1 3 0 30.00 2.90 -1 -3 0 26.70 2.80 -1 -3 0 26.20 3.40 -1 -3 0 22.80 3.50 1 3 0 21.90 2.90 1 3 0 27.00 3.50 1 3 0 25.00 2.80 1 -3 0 33.10 3.40 -1 3 0 29.80 3.40 -1 3 0 31.40 3.10 1 -3 0 29.40 3.10 -1 3 0 26.60 3.00 -1 3 0 28.00 2.70 1 3 0 34.20 3.20 1 -3 0 22.70 2.90 3 -3 0 6.40 4.90 3 3 0 2.90 3.60 -3 3 0 7.30 3.20 3 -3 0 25.80 4.70 -3 -3 0 9.00 3.30 3 3 0 9.10 3.30 -3 -3 0 11.40 2.90 3 3 0 2.20 5.70 3 -3 0 6.00 3.00 -3 3 0 7.70 2.80 -3 -3 0 5.00 1.90 -3 3 0 12.30 2.80 5 -3 0 -8.70 7.20 -5 3 0 -3.70 3.70 5 3 0 3.00 5.10 5 -3 0 15.80 9.50 5 3 0 4.50 9.60 -5 -3 0 -1.50 3.70 -5 -3 0 8.70 6.90 5 -3 0 1.90 5.50 5 -3 0 -5.50 8.50 -5 3 0 3.60 8.40 5 3 0 15.20 7.00 2 4 0 5.40 2.80 2 -4 0 3.40 2.00 -2 -4 0 3.30 2.20 -2 4 0 5.10 1.50 -2 4 0 6.40 2.40 -2 4 0 1.70 1.70 -2 -4 0 3.80 0.80 -2 4 0 5.00 1.50 2 4 0 3.00 2.40 2 4 0 5.20 3.90 2 -4 0 5.00 1.20 2 -4 0 5.50 1.80 -2 -4 0 1.40 1.30 2 4 0 4.20 1.70 -2 -4 0 2.50 1.30 2 -4 0 3.20 1.70 2 -4 0 4.90 2.90 2 4 0 2.90 2.20 -4 4 0 5.70 4.40 4 4 0 4.10 3.80 4 4 0 8.90 6.40 -4 -4 0 -3.00 4.10 4 4 0 1.10 4.50 4 -4 0 7.00 5.90 -4 4 0 2.10 2.80 4 -4 0 1.30 5.30 4 -4 0 -4.30 4.00 4 -4 0 7.80 4.40 -4 -4 0 2.70 3.80 4 4 0 0.10 7.50 -4 -4 0 0.20 2.80 -6 4 0 6.50 11.20 6 4 0 -10.20 8.70 6 -4 0 9.20 7.90 -6 -4 0 -2.20 5.30 6 4 0 3.90 17.20 6 -4 0 -5.60 15.70 6 -4 0 1.90 9.20 6 -4 0 -5.50 10.40 -6 4 0 1.90 6.10 -6 -4 0 15.30 10.40 6 4 0 -3.60 13.20 -1 5 0 221.88 19.00 1 5 0 227.38 18.70 -1 -5 0 208.78 19.20 1 -5 0 235.38 18.70 1 -5 0 216.98 18.80 1 -5 0 221.98 19.10 1 5 0 182.98 19.50 1 5 0 223.58 19.50 1 5 0 222.38 18.90 1 5 0 209.28 18.80 1 -5 0 220.28 18.90 -1 -5 0 230.38 18.70 -1 5 0 215.08 19.20 -1 -5 0 236.88 18.90 -1 5 0 196.58 18.60 -1 5 0 237.68 18.80 -1 -5 0 221.68 18.90 1 -5 0 217.28 18.70 1 -5 0 227.58 18.80 1 -5 0 231.08 18.60 -1 -5 0 219.48 18.60 -1 -5 0 210.88 19.50 -1 5 0 202.78 18.70 3 -5 0 104.49 13.80 3 5 0 124.79 14.00 -3 -5 0 115.59 10.90 -3 5 0 134.39 12.10 -3 5 0 137.39 17.90 3 -5 0 139.39 12.90 -3 -5 0 133.79 12.10 -3 5 0 117.59 12.10 3 5 0 133.19 14.00 3 -5 0 110.89 12.80 -3 -5 0 140.09 12.90 3 -5 0 116.19 14.30 3 5 0 102.79 15.60 5 -5 0 93.69 15.90 -5 5 0 83.89 10.10 5 5 0 55.19 10.20 5 -5 0 84.19 12.30 5 -5 0 52.89 11.10 -5 -5 0 76.99 12.60 5 5 0 74.19 17.40 -5 -5 0 70.19 9.90 5 5 0 59.39 14.20 5 5 0 80.49 14.40 -5 5 0 92.69 14.50 0 6 0 8.50 1.50 0 -6 0 13.30 1.50 0 -6 0 9.00 1.50 0 6 0 6.00 1.40 0 6 0 10.40 1.30 0 6 0 8.50 1.30 0 6 0 8.80 1.60 0 6 0 8.80 1.30 0 -6 0 7.90 1.70 0 -6 0 5.70 1.40 0 -6 0 7.40 1.50 0 -6 0 10.70 1.80 2 -6 0 7.50 1.40 2 -6 0 8.60 3.10 2 6 0 4.00 1.60 -2 6 0 5.90 1.90 2 -6 0 13.60 2.70 -2 -6 0 7.60 1.60 2 6 0 5.70 2.30 -2 6 0 6.30 1.70 -2 6 0 7.10 1.90 -2 -6 0 9.00 2.20 2 -6 0 4.70 2.00 -2 6 0 5.60 3.20 2 -6 0 6.50 2.10 -2 6 0 5.60 2.20 2 6 0 4.00 2.30 -2 -6 0 8.80 2.30 -2 -6 0 6.50 1.10 2 6 0 6.50 3.10 2 6 0 10.40 3.60 4 6 0 0.70 3.40 4 -6 0 6.10 3.90 -4 -6 0 1.90 3.60 4 6 0 -4.70 7.20 4 -6 0 3.20 5.40 -4 6 0 -1.80 4.50 -4 6 0 4.10 2.70 4 6 0 8.50 6.10 4 6 0 -1.40 4.70 -4 -6 0 1.80 4.20 -4 -6 0 4.20 2.90 4 -6 0 0.10 5.20 4 -6 0 6.00 4.40 6 -6 0 17.60 11.10 -6 -6 0 2.90 6.00 6 6 0 -24.90 18.80 6 -6 0 8.40 11.20 -6 6 0 8.10 12.20 -6 6 0 -2.30 5.90 -6 -6 0 4.60 10.20 6 6 0 -5.80 13.50 6 6 0 6.20 17.90 6 -6 0 -1.90 8.40 -1 -7 0 104.79 9.50 -1 7 0 107.09 9.30 1 7 0 102.49 9.40 1 -7 0 97.09 9.40 1 -7 0 107.69 9.40 -1 7 0 99.49 9.30 -1 7 0 94.49 9.40 1 7 0 98.79 10.00 -1 -7 0 107.79 9.40 -1 -7 0 108.89 9.30 1 -7 0 124.19 9.40 1 -7 0 113.39 9.30 1 -7 0 102.79 9.60 1 7 0 112.59 9.70 -1 -7 0 93.59 9.70 1 7 0 104.39 9.80 -1 7 0 101.49 9.50 1 -7 0 104.69 9.30 1 7 0 102.69 9.30 1 7 0 104.49 9.30 1 7 0 93.79 10.30 -1 7 0 107.69 9.60 -1 -7 0 104.59 9.10 -1 -7 0 93.79 10.20 1 -7 0 98.09 9.10 -1 7 0 111.39 9.30 -1 7 0 105.99 10.00 -3 -7 0 42.80 6.20 3 7 0 51.89 8.30 -3 7 0 41.50 5.30 -3 -7 0 42.40 4.20 -3 -7 0 35.10 5.20 3 -7 0 33.30 5.80 -3 7 0 41.30 6.20 3 7 0 52.69 10.20 3 -7 0 47.50 7.50 3 -7 0 34.00 6.10 3 -7 0 40.20 7.30 3 -7 0 44.70 4.50 3 7 0 40.80 7.50 3 7 0 48.20 6.60 -5 -7 0 21.90 5.10 5 7 0 11.90 8.50 -5 7 0 23.50 5.60 5 -7 0 12.90 8.50 5 7 0 29.20 11.30 -5 -7 0 8.90 6.50 5 7 0 3.60 9.80 -5 7 0 24.90 8.50 5 -7 0 8.30 7.00 5 7 0 24.00 6.80 5 -7 0 23.80 10.00 0 8 0 2.10 0.80 0 -8 0 0.20 1.00 0 -8 0 1.30 1.10 0 8 0 0.40 1.20 0 -8 0 -0.10 1.00 0 -8 0 1.20 1.00 0 8 0 -0.50 0.90 0 8 0 -0.80 1.10 0 -8 0 3.30 1.20 0 8 0 1.40 0.70 0 8 0 -0.40 1.00 0 8 0 -0.60 1.20 0 -8 0 1.30 0.90 0 8 0 -0.30 1.00 0 -8 0 1.90 1.10 0 8 0 1.20 0.80 0 -8 0 0.00 0.80 2 -8 0 1.70 2.40 -2 8 0 10.70 2.50 2 8 0 4.60 1.60 2 8 0 -0.40 2.40 -2 8 0 1.90 1.90 -2 -8 0 2.40 1.00 2 -8 0 1.70 1.80 -2 8 0 5.70 3.00 -2 8 0 5.10 2.30 2 -8 0 3.40 1.70 -2 8 0 2.40 1.30 2 8 0 6.70 2.50 2 8 0 0.00 3.40 2 8 0 2.20 2.40 -2 -8 0 8.10 2.00 2 -8 0 0.10 2.10 4 -8 0 8.80 5.30 -4 -8 0 4.20 2.60 -4 8 0 1.00 2.90 4 8 0 4.10 7.60 -4 8 0 -4.20 4.70 4 -8 0 6.90 3.90 4 -8 0 -1.50 5.30 4 8 0 3.80 3.20 4 8 0 10.70 6.00 4 -8 0 2.10 4.60 -4 -8 0 -0.40 4.30 4 8 0 -0.60 6.30 -6 -8 0 -0.20 5.50 -6 8 0 10.40 6.70 6 8 0 8.00 15.70 -6 -8 0 6.40 5.50 6 8 0 -3.60 9.80 -6 -8 0 1.40 9.60 6 -8 0 30.70 12.60 6 8 0 30.70 18.20 6 8 0 7.80 11.50 6 -8 0 -0.70 17.20 6 -8 0 8.50 8.60 -1 -9 0 45.00 4.80 -1 -9 0 45.90 4.30 1 -9 0 54.29 4.70 -1 9 0 46.10 4.80 -1 -9 0 47.90 4.60 1 -9 0 49.30 4.40 1 9 0 45.20 6.10 1 9 0 47.60 5.40 -1 9 0 53.69 4.70 1 -9 0 50.69 5.00 1 -9 0 41.80 4.70 -1 9 0 42.70 5.50 1 9 0 48.90 4.60 -1 -9 0 47.40 4.60 -1 -9 0 50.99 5.30 -1 9 0 50.49 4.70 -1 -9 0 38.40 6.50 -1 9 0 53.49 5.00 -1 -9 0 45.40 4.60 1 -9 0 43.50 3.90 1 9 0 44.70 4.60 1 -9 0 49.20 4.60 -1 9 0 39.10 4.80 1 -9 0 48.00 4.70 -1 9 0 42.30 4.60 1 9 0 30.90 5.70 1 9 0 49.50 4.70 1 -9 0 43.70 4.20 3 9 0 22.00 6.50 3 9 0 23.20 5.70 3 9 0 21.70 4.40 3 -9 0 26.90 5.40 -3 -9 0 26.40 4.70 3 -9 0 23.40 4.80 3 -9 0 22.90 5.00 3 -9 0 25.90 3.30 -3 -9 0 20.90 2.60 -3 -9 0 14.90 3.40 -3 9 0 29.60 4.60 3 9 0 18.60 5.40 3 -9 0 29.30 5.30 -5 9 0 -2.50 8.40 5 -9 0 -1.90 6.60 -5 -9 0 11.80 4.50 5 -9 0 16.20 8.40 5 9 0 2.40 11.10 -5 9 0 3.50 4.60 5 -9 0 7.20 5.60 5 9 0 0.60 5.60 5 9 0 7.20 9.10 5 9 0 26.10 10.90 5 -9 0 26.10 10.00 -5 -9 0 4.10 5.50 0 -10 0 27.10 3.60 0 -10 0 29.40 3.50 0 10 0 15.70 3.50 0 10 0 26.70 2.90 0 10 0 29.70 3.10 0 -10 0 29.90 3.10 0 -10 0 33.60 3.60 0 -10 0 30.00 4.30 0 10 0 16.30 3.60 0 10 0 27.80 3.90 0 10 0 27.40 4.00 0 10 0 25.20 3.90 0 10 0 31.20 3.60 0 -10 0 23.70 3.60 0 10 0 30.60 3.10 0 -10 0 19.10 3.60 2 -10 0 24.60 3.60 2 10 0 14.80 4.70 -2 -10 0 25.00 3.30 2 -10 0 25.80 3.90 -2 10 0 19.30 4.60 -2 10 0 21.40 3.80 2 10 0 24.60 5.10 2 10 0 24.10 4.20 2 10 0 22.10 3.40 2 -10 0 15.70 3.50 2 10 0 22.60 4.50 2 -10 0 25.50 3.00 2 -10 0 22.90 4.00 -2 10 0 18.70 3.90 -2 -10 0 23.60 3.60 -2 -10 0 27.20 3.20 -2 10 0 18.70 3.70 -2 10 0 22.80 3.30 -4 -10 0 15.80 4.00 -4 -10 0 29.70 6.80 4 -10 0 25.50 5.20 -4 10 0 22.40 6.80 4 10 0 35.40 5.90 -4 10 0 25.90 4.70 4 -10 0 18.00 5.70 4 -10 0 21.00 6.60 4 10 0 30.40 10.60 4 -10 0 20.40 6.40 4 10 0 29.50 8.00 4 10 0 20.90 7.20 6 10 0 29.70 16.40 6 -10 0 24.70 14.90 -6 10 0 18.70 16.10 6 10 0 47.00 19.50 -6 -10 0 17.20 11.00 6 -10 0 27.10 9.30 6 10 0 21.30 12.30 6 10 0 5.50 8.70 -6 -10 0 61.79 9.60 -6 -10 0 21.90 7.10 6 -10 0 15.00 12.90 -6 10 0 20.60 8.20 -1 11 0 149.09 13.60 1 -11 0 159.38 14.00 1 11 0 151.78 13.60 -1 -11 0 160.68 13.70 1 11 0 154.48 13.50 -1 -11 0 114.29 14.50 -1 11 0 160.88 13.90 1 11 0 140.79 14.90 -1 11 0 153.08 13.60 -1 -11 0 165.08 13.20 1 -11 0 155.68 13.00 1 -11 0 163.98 14.00 1 -11 0 159.68 13.60 -1 11 0 152.68 14.80 1 11 0 132.49 14.30 1 11 0 139.69 14.20 1 11 0 164.78 13.70 1 11 0 137.49 13.40 -1 11 0 132.39 14.30 1 -11 0 151.38 13.50 -1 11 0 172.28 13.80 -1 -11 0 149.59 14.10 -1 11 0 154.98 13.50 1 -11 0 153.58 13.70 1 11 0 172.68 13.90 1 -11 0 153.28 13.20 1 -11 0 172.18 13.80 -1 -11 0 157.18 13.50 -1 -11 0 163.38 13.60 -1 -11 0 155.58 13.60 3 -11 0 89.79 10.20 3 11 0 59.79 10.00 3 -11 0 86.39 9.80 3 -11 0 75.69 7.60 3 -11 0 77.59 8.50 -3 11 0 77.89 8.20 -3 -11 0 71.59 8.00 -3 -11 0 74.39 8.90 3 11 0 67.99 11.10 -3 11 0 84.89 9.90 -3 -11 0 73.49 6.80 3 11 0 81.99 8.70 5 11 0 31.10 11.30 5 11 0 31.70 7.50 5 11 0 5.50 12.40 5 11 0 52.89 12.40 5 -11 0 23.40 7.40 5 -11 0 42.80 11.30 5 -11 0 24.90 9.40 -5 11 0 28.40 6.30 -5 11 0 39.40 11.20 -5 -11 0 37.50 7.10 5 -11 0 35.60 7.30 -5 -11 0 40.90 9.00 -5 -11 0 36.00 6.60 0 -12 0 37.10 4.20 0 -12 0 39.00 4.10 0 12 0 34.80 4.90 0 12 0 26.00 4.30 0 12 0 32.70 4.50 0 -12 0 28.30 4.70 0 -12 0 39.20 4.30 0 12 0 29.30 3.90 0 12 0 34.40 3.70 0 12 0 29.50 3.60 0 12 0 31.10 3.70 0 -12 0 35.40 3.70 0 -12 0 31.70 4.20 0 -12 0 28.10 4.70 0 12 0 29.50 3.40 0 12 0 26.40 4.50 -2 12 0 20.60 4.30 2 -12 0 28.60 3.70 -2 12 0 24.90 3.90 2 12 0 22.50 4.40 2 12 0 21.40 5.70 -2 -12 0 26.10 3.40 -2 -12 0 27.00 3.30 2 -12 0 23.00 4.20 2 12 0 20.70 4.80 -2 12 0 18.50 4.20 2 -12 0 28.50 3.40 -2 -12 0 23.20 3.70 2 12 0 20.10 3.40 -2 -12 0 24.80 3.50 2 12 0 24.60 4.30 -2 12 0 20.00 3.40 2 -12 0 23.70 3.70 -2 12 0 25.80 5.00 4 -12 0 14.10 4.60 -4 12 0 9.60 3.40 4 -12 0 21.70 6.60 4 12 0 10.30 7.00 -4 -12 0 6.00 3.30 -4 12 0 11.80 5.70 -4 -12 0 15.30 5.00 4 12 0 14.90 4.40 4 12 0 15.40 8.90 4 -12 0 12.40 4.70 4 -12 0 12.30 5.60 4 12 0 7.00 6.20 -6 12 0 1.20 7.10 6 -12 0 -1.60 12.70 6 12 0 -8.80 17.00 -6 -12 0 9.00 10.40 6 12 0 30.60 18.10 6 -12 0 13.00 8.00 6 12 0 -8.90 11.50 6 -12 0 5.90 13.70 -6 -12 0 8.90 6.60 6 12 0 13.00 8.60 -6 -12 0 13.40 6.60 -6 12 0 -9.90 14.90 1 13 0 517.85 42.40 -1 13 0 498.45 42.20 -1 13 0 461.05 42.20 1 13 0 507.15 42.60 -1 13 0 535.55 42.50 1 13 0 490.85 42.50 1 13 0 419.46 43.00 1 -13 0 549.95 42.50 1 13 0 528.65 42.30 -1 13 0 547.45 42.80 1 13 0 461.45 42.00 -1 -13 0 486.55 42.40 -1 -13 0 525.35 42.20 -1 13 0 550.04 42.70 -1 -13 0 528.15 41.80 -1 -13 0 596.54 42.80 -1 -13 0 444.56 43.40 1 13 0 451.05 43.00 1 13 0 481.65 42.40 1 -13 0 530.85 41.80 1 -13 0 497.15 42.10 -1 -13 0 465.25 42.40 -1 13 0 440.36 42.70 1 -13 0 511.85 42.50 -1 13 0 461.95 43.10 1 -13 0 500.95 42.80 1 -13 0 519.15 41.80 -1 13 0 520.35 42.60 1 -13 0 499.25 42.70 3 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630.14 52.09 1 17 0 591.04 51.79 1 -17 0 689.73 51.09 -1 -17 0 628.54 51.09 1 -17 0 558.64 52.49 -1 -17 0 567.24 51.79 1 17 0 589.94 53.29 -1 17 0 641.84 50.89 1 17 0 567.94 51.29 1 -17 0 683.63 51.99 -1 17 0 592.44 51.49 1 17 0 659.83 51.69 3 17 0 359.76 34.80 -3 -17 0 343.97 30.10 3 -17 0 345.57 30.70 -3 -17 0 346.47 31.00 -3 17 0 356.66 31.40 -3 -17 0 409.56 32.40 3 -17 0 346.27 29.90 3 17 0 368.46 31.40 -3 -17 0 353.66 31.30 3 -17 0 365.46 30.90 3 -17 0 346.47 29.50 3 -17 0 341.87 32.30 3 -17 0 341.27 32.40 3 17 0 349.27 34.20 -3 17 0 353.86 33.20 3 17 0 317.77 32.30 5 17 0 171.48 26.10 5 17 0 195.78 24.90 5 -17 0 197.88 19.10 -5 17 0 193.08 19.40 -5 -17 0 183.58 20.30 5 17 0 161.18 24.50 -5 -17 0 191.18 18.70 5 -17 0 165.28 16.90 -5 -17 0 178.48 18.50 -5 17 0 193.68 25.90 5 17 0 165.58 19.40 5 -17 0 159.88 22.40 5 -17 0 200.48 23.30 0 18 0 5064.99 463.45 0 -18 0 6098.49 462.75 0 -18 0 6036.70 463.25 0 18 0 5656.43 462.05 0 18 0 5359.56 461.85 0 18 0 5715.73 463.25 0 -18 0 6408.96 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33.20 1 -19 0 411.96 33.10 1 -19 0 368.96 32.60 -1 19 0 405.46 32.10 1 -19 0 424.56 32.90 -1 -19 0 345.87 33.10 1 19 0 365.76 32.70 -1 -19 0 374.66 33.20 1 19 0 372.26 34.10 -1 -19 0 364.76 32.60 -1 19 0 329.27 33.30 -1 -19 0 411.26 32.40 -1 19 0 368.06 32.80 -1 19 0 376.26 33.10 -1 -19 0 386.06 31.80 -1 19 0 370.06 32.30 1 19 0 412.86 32.50 1 19 0 352.16 32.00 1 -19 0 375.66 33.60 1 19 0 369.46 32.70 1 -19 0 382.76 33.10 -3 19 0 201.88 21.80 3 -19 0 219.68 21.30 3 -19 0 214.48 21.30 3 19 0 216.08 19.90 -3 -19 0 228.08 19.90 3 -19 0 219.68 17.90 3 -19 0 214.48 19.30 -3 19 0 206.98 20.00 -3 -19 0 195.58 18.90 3 19 0 199.38 22.50 -3 -19 0 223.68 19.70 3 -19 0 215.58 18.10 3 -19 0 210.08 18.00 -3 -19 0 219.08 19.90 3 19 0 212.88 23.10 3 -19 0 206.58 19.50 3 19 0 200.28 21.10 5 -19 0 82.39 17.30 5 -19 0 100.09 16.80 5 -19 0 96.49 12.60 -5 -19 0 105.99 12.40 -5 19 0 97.29 13.60 -5 19 0 117.19 19.00 -5 -19 0 92.29 14.40 5 19 0 90.99 13.70 5 19 0 116.59 19.90 5 19 0 114.09 17.50 5 19 0 83.89 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4 -20 0 99.19 11.20 -1 21 0 845.92 75.19 -1 21 0 842.32 74.49 1 -21 0 869.01 74.99 -1 21 0 903.81 75.79 1 -21 0 897.71 74.89 -1 21 0 869.21 74.69 -1 -21 0 956.50 75.89 -1 21 0 957.90 74.69 -1 -21 0 849.02 75.79 1 -21 0 946.31 75.89 1 -21 0 808.32 75.99 1 21 0 905.71 74.79 1 21 0 901.51 75.09 1 21 0 904.91 76.09 -1 21 0 849.52 75.79 -1 -21 0 983.70 74.89 -1 21 0 923.01 74.19 -1 -21 0 886.21 75.59 1 21 0 919.81 76.69 1 21 0 820.52 74.29 -1 -21 0 911.21 75.69 1 -21 0 986.40 75.39 -1 -21 0 908.41 74.19 1 21 0 818.42 75.09 -3 -21 0 573.24 47.80 -3 21 0 517.05 49.60 3 -21 0 528.15 48.80 -3 21 0 561.74 48.10 3 21 0 585.24 48.90 -3 -21 0 563.04 47.70 3 -21 0 584.54 49.30 3 21 0 530.95 50.79 3 -21 0 573.54 47.00 -3 -21 0 559.64 47.80 3 21 0 509.45 50.29 3 -21 0 563.34 45.90 -3 -21 0 514.15 46.80 3 21 0 532.25 47.70 -5 -21 0 270.77 25.90 5 21 0 227.48 26.20 5 -21 0 274.27 25.80 -5 -21 0 270.57 25.90 5 21 0 266.97 32.60 5 -21 0 294.37 30.40 -5 21 0 274.57 26.60 5 21 0 187.68 30.90 5 -21 0 288.17 31.30 -5 -21 0 248.58 27.00 -5 21 0 294.37 32.10 5 21 0 328.77 31.40 0 -22 0 240.58 23.10 0 -22 0 279.17 23.10 0 22 0 243.98 21.80 0 22 0 220.58 23.50 0 22 0 234.38 21.90 0 22 0 234.78 23.30 0 22 0 247.88 23.30 0 -22 0 263.17 22.90 0 -22 0 270.57 24.00 0 22 0 252.97 22.90 0 -22 0 262.67 23.00 0 -22 0 276.77 24.20 0 22 0 227.78 21.80 0 22 0 243.58 21.90 0 -22 0 294.47 22.10 2 22 0 141.19 15.20 2 22 0 140.69 16.40 2 22 0 186.78 15.50 -2 -22 0 171.08 14.40 2 22 0 149.29 17.50 2 -22 0 169.58 14.20 2 22 0 160.98 17.70 2 -22 0 170.08 14.50 -2 22 0 148.59 16.10 2 -22 0 162.58 16.10 -2 -22 0 196.78 15.80 -2 -22 0 167.98 15.10 -2 22 0 141.69 16.00 -2 -22 0 150.38 15.30 -2 -22 0 167.78 15.80 -2 22 0 182.78 15.80 -2 22 0 153.48 15.30 2 -22 0 154.08 16.00 2 -22 0 168.88 16.10 -4 22 0 78.19 13.60 4 -22 0 86.39 13.60 4 -22 0 72.49 12.80 4 22 0 83.59 10.80 4 -22 0 87.29 8.20 4 22 0 98.79 13.70 -4 22 0 90.99 10.80 -4 -22 0 91.99 10.40 4 -22 0 78.89 10.20 -4 -22 0 113.19 11.20 -4 -22 0 96.59 11.70 4 22 0 105.69 16.60 4 -22 0 90.69 10.10 4 22 0 112.99 16.70 -1 -23 0 1990.50 154.48 -1 23 0 1864.21 152.88 1 23 0 1975.20 154.78 -1 23 0 1625.74 153.68 1 23 0 1732.73 153.58 -1 -23 0 1697.03 154.38 -1 23 0 1881.91 153.38 1 -23 0 1935.51 154.78 1 23 0 1760.22 152.88 1 23 0 2022.00 155.48 -1 23 0 1961.70 153.38 -1 -23 0 1792.52 154.68 -1 23 0 1941.31 154.68 1 23 0 1877.31 153.48 1 23 0 1621.44 153.78 1 -23 0 1917.01 155.08 -1 -23 0 1870.11 154.38 1 -23 0 1740.23 153.38 -1 23 0 1958.90 154.88 -1 23 0 1696.53 152.98 -1 -23 0 1953.00 153.38 1 -23 0 2000.50 154.08 1 -23 0 1753.92 153.58 3 -23 0 1135.89 98.79 -3 -23 0 1127.99 97.49 -3 23 0 1163.18 98.09 -3 23 0 1053.39 99.49 3 23 0 1037.80 100.09 3 23 0 1259.37 98.49 3 -23 0 1179.88 97.79 3 23 0 1191.68 97.79 3 -23 0 1173.18 95.79 -3 -23 0 1200.78 96.89 -3 -23 0 1203.18 97.89 3 -23 0 1058.09 98.69 3 23 0 1199.98 100.89 3 -23 0 1167.48 96.79 -5 -23 0 536.15 47.00 -5 -23 0 493.25 46.70 -5 -23 0 533.15 47.50 5 23 0 489.55 47.50 5 -23 0 484.05 50.99 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52.39 12.30 -4 24 0 31.20 9.70 -1 25 0 265.27 24.30 -1 25 0 269.37 23.50 -1 25 0 270.57 25.60 1 25 0 312.77 26.10 1 -25 0 291.87 24.60 -1 25 0 259.97 23.70 -1 25 0 233.78 23.30 -1 -25 0 301.57 25.20 -1 -25 0 321.67 25.20 1 25 0 259.47 23.30 -1 -25 0 242.98 25.10 1 25 0 297.57 25.20 1 25 0 254.77 24.10 -1 -25 0 302.97 24.00 1 25 0 272.97 23.90 -1 -25 0 264.67 25.20 1 -25 0 276.57 24.10 1 -25 0 266.27 24.00 1 -25 0 268.47 25.40 1 -25 0 300.47 25.70 3 25 0 161.18 16.20 -3 -25 0 173.58 15.70 -3 -25 0 168.68 16.40 -3 25 0 131.19 17.90 3 -25 0 146.39 16.40 -3 -25 0 175.08 16.00 -3 25 0 156.48 16.60 3 25 0 136.79 18.40 3 25 0 176.78 17.10 3 -25 0 175.18 14.30 3 -25 0 165.28 15.10 3 -25 0 169.78 17.30 3 25 0 170.38 19.80 3 -25 0 164.68 17.80 5 -25 0 79.09 14.80 -5 25 0 67.39 11.70 5 -25 0 78.19 10.10 -5 25 0 69.69 15.70 -5 -25 0 47.80 9.60 5 25 0 92.19 17.10 -5 -25 0 66.49 10.60 5 -25 0 87.29 16.80 -5 -25 0 73.09 11.90 5 25 0 87.59 14.70 5 25 0 79.99 11.50 5 25 0 70.09 16.10 0 26 0 120.59 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22.60 5 35 0 105.69 20.90 5 35 0 99.09 29.70 5 -35 0 136.09 17.30 -5 -35 0 105.29 16.00 5 35 0 108.19 20.90 -5 -35 0 103.89 15.40 5 -35 0 110.19 15.10 5 -35 0 128.99 21.80 -5 35 0 133.09 30.70 0 -36 0 58.69 9.80 0 36 0 47.60 6.00 0 -36 0 75.19 6.50 0 -36 0 55.89 9.30 0 -36 0 55.79 8.10 0 36 0 43.40 6.00 0 36 0 48.00 6.40 0 36 0 82.19 8.90 0 36 0 61.69 10.30 0 36 0 52.49 6.30 0 36 0 71.29 7.90 0 -36 0 64.19 10.00 2 36 0 34.70 4.00 2 -36 0 30.00 7.40 -2 36 0 32.10 6.30 2 36 0 28.90 5.60 -2 -36 0 33.10 6.70 -2 -36 0 36.30 5.90 -2 36 0 26.50 4.30 -2 -36 0 33.20 7.20 2 -36 0 39.70 6.40 -2 36 0 37.80 8.50 -2 36 0 41.20 6.10 2 -36 0 20.70 5.40 2 36 0 29.60 6.00 2 -36 0 27.70 7.20 -2 -36 0 34.60 7.10 2 36 0 28.50 7.00 2 36 0 28.20 7.20 -4 -36 0 30.60 8.30 4 -36 0 14.80 6.20 -4 -36 0 17.70 5.90 4 36 0 9.80 6.20 -4 36 0 9.70 7.70 4 36 0 21.40 10.20 4 -36 0 2.60 7.40 4 36 0 12.30 6.60 -4 -36 0 12.60 5.90 -4 36 0 21.80 8.30 4 -36 0 11.00 4.70 4 -36 0 27.10 10.20 4 36 0 15.90 8.60 1 37 0 26.10 4.40 1 37 0 32.70 4.80 -1 37 0 33.30 4.90 1 -37 0 36.60 5.60 -1 -37 0 29.90 5.00 1 -37 0 21.80 6.20 1 -37 0 26.10 6.20 -1 37 0 33.70 5.80 -1 -37 0 25.10 6.40 -1 -37 0 27.60 6.10 1 -37 0 26.50 5.70 1 37 0 25.30 6.00 1 37 0 34.20 6.20 -1 37 0 38.80 9.30 -1 37 0 24.20 5.10 -1 -37 0 25.90 5.20 3 37 0 17.00 5.20 3 37 0 23.80 7.40 3 37 0 19.00 7.40 3 -37 0 21.00 5.50 -3 -37 0 6.70 4.50 -3 -37 0 17.50 6.00 -3 -37 0 16.10 4.90 3 -37 0 14.40 6.90 -3 37 0 22.60 7.90 3 37 0 20.80 4.30 3 -37 0 29.40 7.70 -3 37 0 15.50 6.60 -5 -37 0 17.30 8.10 -5 -37 0 -4.70 7.70 5 37 0 8.50 11.40 5 37 0 9.00 24.40 5 -37 0 7.30 8.20 -5 37 0 22.10 10.60 5 37 0 7.10 8.50 5 -37 0 17.40 8.80 -5 37 0 13.50 12.40 0 38 0 4629.24 404.66 0 -38 0 4837.82 407.06 0 38 0 4632.54 404.96 0 38 0 4754.42 404.96 0 -38 0 5207.68 406.56 0 -38 0 5277.27 408.56 0 38 0 4737.03 404.96 0 38 0 5078.49 408.26 0 -38 0 4988.50 404.66 0 -38 0 5213.58 408.36 0 38 0 4723.93 404.56 0 38 0 4814.22 406.36 2 -38 0 3709.73 276.77 -2 38 0 3609.14 277.07 2 38 0 3204.28 276.47 2 -38 0 3042.70 277.07 -2 -38 0 3416.86 276.37 2 38 0 3430.06 276.37 2 -38 0 3706.23 279.17 -2 38 0 2975.80 276.07 -2 -38 0 2802.92 277.77 2 -38 0 3253.87 279.07 2 38 0 3659.93 278.27 -2 -38 0 3704.73 277.07 2 38 0 3591.04 279.07 -2 38 0 3001.30 279.27 -2 -38 0 2853.11 278.07 4 -38 0 1763.12 157.68 -4 38 0 1878.71 158.18 4 -38 0 1834.82 156.68 -4 -38 0 1799.22 156.08 4 38 0 2145.99 160.58 4 38 0 1883.51 155.48 4 38 0 1769.42 156.38 4 38 0 2033.40 160.18 -4 38 0 1757.02 158.28 4 -38 0 2079.19 158.28 4 -38 0 1752.02 154.48 -4 -38 0 1732.33 157.48 -4 -38 0 1778.62 157.08 -1 -39 0 37.20 6.30 1 39 0 27.10 5.70 1 39 0 31.30 4.40 -1 -39 0 22.20 6.00 -1 39 0 30.90 7.00 -1 39 0 27.10 5.60 1 -39 0 23.50 5.60 1 -39 0 30.60 5.20 -1 -39 0 30.50 4.90 1 -39 0 29.20 6.40 1 39 0 28.00 6.80 1 -39 0 31.70 8.00 -1 -39 0 16.10 5.70 -1 39 0 30.90 7.20 -1 39 0 18.00 8.80 3 -39 0 31.50 7.80 -3 39 0 15.60 7.50 -3 -39 0 22.50 6.60 -3 -39 0 14.80 8.00 3 39 0 23.90 5.90 3 39 0 28.30 8.30 -3 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1712.73 138.79 -1 41 0 1456.65 134.99 1 -41 0 1684.93 134.49 1 41 0 1756.72 137.19 -1 -41 0 1562.74 137.29 1 -41 0 1829.32 137.59 1 41 0 1632.64 134.29 -1 41 0 1437.86 138.59 1 -41 0 1369.76 136.59 -1 41 0 1612.94 134.59 3 41 0 1044.20 82.09 3 -41 0 947.61 86.29 -3 -41 0 1052.19 84.19 3 41 0 981.70 84.09 -3 -41 0 823.32 85.39 3 -41 0 1097.29 84.89 3 41 0 980.50 86.79 3 -41 0 873.41 84.19 3 41 0 1116.59 86.69 -3 -41 0 967.60 83.89 -3 -41 0 906.71 90.29 0 42 0 98.39 12.20 0 42 0 99.49 9.80 0 42 0 95.79 9.70 0 -42 0 119.99 13.70 0 -42 0 103.89 10.00 0 -42 0 106.59 11.80 0 42 0 103.39 10.20 0 42 0 112.89 10.70 0 42 0 98.99 10.80 0 42 0 112.79 13.90 0 -42 0 104.89 12.20 0 -42 0 129.19 14.10 -2 -42 0 75.29 11.50 2 42 0 93.49 11.50 -2 -42 0 75.39 9.70 2 42 0 76.19 9.30 2 -42 0 79.19 9.20 -2 42 0 70.89 9.30 2 42 0 69.49 11.90 -2 42 0 61.49 9.50 -2 -42 0 40.70 9.60 -2 -42 0 87.59 10.10 2 -42 0 69.89 11.20 2 -42 0 61.79 11.90 -2 42 0 39.40 12.10 2 -42 0 50.29 9.50 2 42 0 70.89 9.00 -4 -42 0 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25.90 5.40 2 -44 0 22.90 5.60 2 44 0 19.50 6.60 2 -44 0 14.90 5.50 2 44 0 12.50 5.00 2 44 0 27.30 5.20 2 -44 0 28.00 7.40 -2 -44 0 18.70 6.40 2 44 0 13.50 5.90 -2 44 0 1.10 7.60 2 -44 0 4.90 6.50 -2 -44 0 12.60 6.20 -4 44 0 1.80 11.70 -4 -44 0 2.60 7.70 4 44 0 12.30 9.80 -4 44 0 3.80 7.90 4 44 0 2.90 9.70 4 -44 0 13.60 10.70 4 44 0 10.00 7.50 -4 -44 0 9.40 7.80 4 -44 0 6.00 7.30 1 -45 0 197.58 22.30 1 45 0 206.68 21.60 1 -45 0 163.18 19.30 1 45 0 216.98 18.50 1 -45 0 193.28 18.00 -1 45 0 178.28 19.00 -1 -45 0 207.58 21.50 -1 -45 0 202.68 19.60 -1 45 0 192.88 18.40 -1 -45 0 206.58 17.90 -1 45 0 211.68 18.60 1 45 0 169.98 17.40 1 -45 0 249.48 21.40 1 45 0 197.98 18.90 -1 45 0 180.68 23.20 1 45 0 204.88 20.70 -1 -45 0 205.38 21.20 -3 -45 0 131.79 16.90 3 45 0 155.18 18.00 -3 45 0 152.08 21.70 3 45 0 154.08 17.80 3 45 0 109.29 14.50 -3 45 0 107.79 20.00 3 -45 0 88.39 14.30 3 -45 0 175.88 18.30 -3 -45 0 141.49 14.20 -3 -45 0 86.99 15.10 0 -46 0 36.40 8.80 0 46 0 50.19 6.50 0 46 0 44.80 8.20 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176.88 22.10 0 -32 5 437.66 40.20 0 -32 5 553.84 48.90 0 32 5 370.56 39.80 0 32 -5 544.75 47.30 0 32 5 517.35 48.40 0 -32 -5 533.25 47.90 0 32 -5 507.25 47.40 0 32 5 518.35 49.50 0 -32 -5 407.86 42.50 0 32 -5 418.56 45.10 -1 33 5 124.79 28.10 -1 33 5 78.49 10.60 1 33 -5 100.09 18.60 -1 -33 -5 120.39 22.50 1 -33 5 123.49 19.50 1 33 -5 112.19 18.80 -1 -33 5 136.99 20.60 -1 33 -5 86.79 16.30 -1 -33 5 66.49 14.40 -1 33 -5 91.19 18.70 -1 33 -5 56.49 15.80 1 33 5 62.49 9.50 1 -33 -5 130.69 22.10 1 33 5 94.09 23.60 1 33 5 136.39 20.70 0 34 -5 2.00 10.70 0 34 -5 -2.10 13.00 0 34 5 4.90 4.70 0 34 5 1.20 12.10 0 34 5 7.20 13.40 0 -34 5 -6.80 10.50 0 34 -5 -2.20 10.70 0 -34 5 10.10 7.90 0 -34 -5 5.50 10.80 0 -34 -5 15.20 11.70 0 -34 5 3.40 13.00 -1 35 5 22.20 12.60 1 35 -5 17.20 13.10 1 -35 5 36.30 15.40 -1 35 5 25.20 6.50 -1 -35 -5 23.00 10.00 -1 -35 -5 19.30 13.50 1 35 -5 18.30 10.80 1 35 -5 63.29 16.00 -1 35 -5 25.20 13.20 1 -35 -5 25.40 11.60 -1 -35 5 15.30 14.80 -1 -35 5 7.90 10.90 1 35 5 10.30 17.20 -1 35 -5 26.90 12.00 1 -35 -5 24.40 7.70 -1 35 -5 18.40 13.20 1 35 5 13.20 5.40 0 36 -5 24.00 12.80 0 -36 5 44.40 15.20 0 -36 5 28.10 12.40 0 36 -5 11.40 15.70 0 -36 -5 42.70 15.90 0 36 5 21.80 22.70 0 -36 -5 21.30 8.30 0 36 5 30.00 5.90 0 36 -5 16.30 12.70 0 38 -5 -27.60 20.30 0 0 6 2216.58 216.98 0 0 -6 2492.75 208.28 0 0 -6 2589.24 213.18 0 0 6 2547.45 209.48 -1 1 6 -10.60 14.60 1 -1 6 -17.60 10.30 1 1 -6 -9.10 16.30 1 -1 6 -12.60 24.50 -1 -1 -6 -16.10 12.30 -1 -1 -6 0.60 8.30 -1 1 6 -9.80 8.80 1 1 -6 0.90 9.90 -1 -1 6 9.60 8.80 1 -1 -6 8.30 9.30 1 -1 -6 0.30 17.40 -1 -1 6 -0.90 15.00 1 1 6 -3.60 22.60 1 1 6 -5.50 15.40 -1 1 -6 -7.30 13.00 -1 1 -6 5.70 8.40 1 -1 -6 -1.00 9.90 1 1 6 20.70 11.20 0 2 -6 -1.90 6.30 0 -2 -6 28.90 8.10 0 2 -6 -8.10 15.80 0 -2 6 -7.20 7.70 0 2 6 1.50 8.10 0 2 6 26.80 22.60 0 -2 -6 8.10 6.80 0 -2 6 -26.00 14.10 0 -2 -6 -7.50 15.30 -1 3 6 -10.90 10.50 1 3 -6 4.70 8.10 1 3 -6 35.50 18.00 -1 3 6 13.10 13.50 1 -3 6 -8.50 11.10 1 3 -6 8.90 7.80 -1 -3 -6 -6.60 8.00 1 -3 6 20.60 23.30 1 3 6 1.60 9.00 1 -3 -6 3.50 9.60 -1 3 -6 2.10 13.70 -1 -3 6 8.70 8.90 -1 3 -6 4.10 8.70 1 -3 -6 1.10 6.70 1 3 6 -8.70 9.60 -1 -3 6 -17.00 16.20 0 -4 6 -10.60 15.70 0 4 -6 14.00 12.50 0 4 6 -6.90 9.20 0 4 -6 -6.00 6.40 0 -4 6 1.30 7.80 0 4 6 29.70 20.00 0 4 -6 -27.50 15.40 0 -4 -6 14.70 8.20 0 -4 -6 -12.50 6.20 0 -4 -6 -24.00 13.90 -1 -5 -6 43.00 13.60 1 -5 6 8.40 14.00 1 -5 6 90.59 27.20 1 5 -6 49.30 19.60 1 5 -6 55.39 10.50 -1 -5 -6 45.70 10.90 -1 5 6 28.60 15.10 1 -5 6 56.59 12.80 1 -5 -6 48.90 13.30 1 -5 -6 74.09 18.80 -1 -5 6 59.39 18.60 1 5 6 42.20 12.00 1 5 6 31.30 11.20 1 5 6 58.99 41.10 -1 5 -6 54.19 11.60 -1 5 -6 73.79 18.50 -1 -5 6 39.10 11.10 1 -5 -6 42.60 9.10 0 6 -6 11.40 6.60 0 -6 6 14.10 7.70 0 -6 6 -13.10 14.30 0 -6 -6 18.60 14.10 0 6 -6 -4.80 6.20 0 -6 -6 3.20 8.30 0 6 -6 5.50 16.90 0 6 6 2.40 17.50 0 -6 -6 5.00 5.90 1 -7 6 38.60 10.30 1 -7 6 50.29 25.60 1 -7 6 6.80 14.00 -1 7 6 7.70 12.80 1 7 -6 8.60 7.90 1 7 -6 48.90 19.90 1 7 -6 46.60 13.10 -1 7 6 34.30 14.50 -1 -7 -6 31.70 10.20 1 7 6 29.30 10.60 -1 -7 6 31.20 8.90 -1 7 -6 42.00 15.60 1 -7 -6 47.10 13.90 -1 7 -6 42.30 10.40 1 7 6 45.20 12.50 -1 -7 6 14.30 17.80 1 -7 -6 27.10 7.60 1 7 6 13.90 21.10 0 8 -6 -6.30 5.90 0 8 6 31.20 18.30 0 -8 -6 8.40 9.10 0 -8 -6 -4.30 6.80 0 8 -6 20.60 18.30 0 8 -6 -11.50 6.50 0 -8 6 -1.60 15.30 0 -8 6 -7.80 7.40 0 8 6 16.60 18.30 -1 9 6 0.20 11.30 -1 -9 -6 2.90 8.00 1 -9 6 6.00 7.90 1 9 -6 3.10 18.30 1 9 -6 8.50 6.50 1 -9 6 14.90 14.80 -1 9 6 -1.00 11.60 1 -9 6 35.00 24.30 1 -9 -6 30.20 13.50 -1 -9 6 17.10 8.70 1 9 6 12.30 22.80 1 9 6 11.90 9.10 -1 9 -6 17.60 9.80 1 9 6 5.00 10.70 1 -9 -6 3.80 6.50 -1 9 -6 8.30 16.10 -1 -9 6 1.30 18.30 0 -10 6 29.30 8.30 0 10 6 51.69 12.50 0 10 -6 7.60 7.70 0 10 -6 15.80 8.20 0 -10 6 15.30 17.40 0 10 -6 27.40 18.60 0 -10 -6 35.50 11.10 0 10 6 19.50 13.10 0 12 -6 -10.50 17.90 0 12 -6 9.40 7.20 0 12 -6 10.70 7.70 0 -12 -6 24.10 11.10 0 -12 -6 6.20 7.70 0 12 6 8.60 11.50 0 12 6 8.30 10.60 0 -12 6 23.20 18.60 0 -12 6 12.40 7.50 0 14 6 1.50 11.90 0 -14 -6 1.90 6.80 0 -14 -6 10.70 11.50 0 -14 6 9.30 18.30 0 -14 6 -2.30 7.20 0 14 -6 19.30 19.10 0 14 -6 4.60 7.70 0 14 -6 3.40 7.00 0 14 6 8.20 8.80 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 54520 loop_ _publcif_info_datablock.id _publcif_info_datablock.publ_exptl _publcif_info_datablock.publ_geom _publcif_info_datablock.structure '{f67e6d4c-e0e6-4c64-802d-9548ae2888ed}' y y y loop_ _publcif_info_exptl_table_extra_item sin_theta_over_lambda_max loop_ _publcif_info_exptl_table_header_item ? _publcif_info_exptl_table_max_cols 4 _publcif_info_exptl_table_use_headnotes n loop_ _publcif_info_tables.block_id _publcif_info_tables.reference_item "{f67e6d4c-e0e6-4c64-802d-9548ae2888ed}" "_publcif_info_datablock.publ_exptl" loop_ _publcif_info_cif.paper_type ? _publcif_funding_html ; ;