data_rovis73_0m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C51 H64 Cl N O4 P Rh' _chemical_formula_weight 924.36 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 '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' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Rh' 'Rh' -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 15.3754(4) _cell_length_b 17.3853(4) _cell_length_c 18.1214(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 4844.0(2) _cell_formula_units_Z 4 _cell_measurement_temperature 120 _cell_measurement_reflns_used 9363 _cell_measurement_theta_min 2.53 _cell_measurement_theta_max 35.15 _exptl_crystal_description irregular _exptl_crystal_colour yellow _exptl_crystal_size_max 0.31 _exptl_crystal_size_mid 0.26 _exptl_crystal_size_min 0.19 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.268 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1944 _exptl_absorpt_coefficient_mu 0.483 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8658 _exptl_absorpt_correction_T_max 0.9159 _exptl_absorpt_process_details 'Sheldrick, G. M. (2008) SADABS. University of G\"ottingen, Germany.' _exptl_special_details ; ? ; _diffrn_ambient_temperature 120 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 52621 _diffrn_reflns_av_R_equivalents 0.0546 _diffrn_reflns_av_sigmaI/netI 0.0968 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 2.10 _diffrn_reflns_theta_max 36.43 _reflns_number_total 23450 _reflns_number_gt 16173 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 (Bruker, 2009)' _computing_cell_refinement 'APEX2 (Bruker, 2009)' _computing_data_reduction 'APEX2 (Bruker, 2009)' _computing_structure_solution 'XS (Sheldrick, 2008)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_molecular_graphics 'APEX2 (Bruker, 2009)' _computing_publication_material 'APEX2 (Bruker, 2009)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0470P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.029(17) _chemical_absolute_configuration syn _refine_ls_number_reflns 23450 _refine_ls_number_parameters 542 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0916 _refine_ls_R_factor_gt 0.0532 _refine_ls_wR_factor_ref 0.1183 _refine_ls_wR_factor_gt 0.1025 _refine_ls_goodness_of_fit_ref 1.006 _refine_ls_restrained_S_all 1.006 _refine_ls_shift/su_max 0.036 _refine_ls_shift/su_mean 0.001 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.01153(16) 0.55729(13) -0.08393(13) 0.0169(4) Uani 1 1 d . . . C2 C 0.05264(16) 0.47505(14) -0.07997(13) 0.0178(4) Uani 1 1 d . . . H2 H 0.1155 0.4793 -0.0722 0.021 Uiso 1 1 calc R . . C3 C 0.01206(17) 0.42650(14) -0.01768(13) 0.0179(5) Uani 1 1 d . . . H3 H -0.0457 0.4467 -0.0057 0.021 Uiso 1 1 calc R . . C4 C 0.06969(14) 0.42677(12) 0.05268(14) 0.0155(4) Uani 1 1 d . . . C5 C 0.0244(2) 0.35354(17) -0.12575(16) 0.0364(7) Uani 1 1 d . . . C6 C -0.10150(16) 0.57635(15) 0.12760(16) 0.0232(5) Uani 1 1 d . . . H6A H -0.1086 0.5210 0.1248 0.028 Uiso 1 1 calc R . . H6B H -0.1329 0.6001 0.0871 0.028 Uiso 1 1 calc R . . C7 C 0.01620(18) 0.63731(16) 0.19530(15) 0.0255(5) Uani 1 1 d . . . H7A H 0.0588 0.6774 0.1866 0.031 Uiso 1 1 calc R . . H7B H 0.0392 0.6012 0.2312 0.031 Uiso 1 1 calc R . . C8 C 0.01804(15) 0.40653(14) 0.12225(14) 0.0172(5) Uani 1 1 d . . . C9 C -0.05267(17) 0.35594(14) 0.11942(15) 0.0211(5) Uani 1 1 d . . . H9 H -0.0721 0.3379 0.0740 0.025 Uiso 1 1 calc R . . C10 C -0.09431(16) 0.33227(15) 0.18360(15) 0.0244(5) Uani 1 1 d . . . C11 C -0.06537(18) 0.36111(15) 0.25084(15) 0.0248(5) Uani 1 1 d . . . H11 H -0.0927 0.3453 0.2940 0.030 Uiso 1 1 calc R . . C12 C 0.00332(19) 0.41303(15) 0.25529(15) 0.0233(5) Uani 1 1 d . . . C13 C 0.04526(16) 0.43444(14) 0.18979(13) 0.0185(5) Uani 1 1 d . . . H13 H 0.0923 0.4680 0.1918 0.022 Uiso 1 1 calc R . . C14 C -0.1687(2) 0.27588(18) 0.18103(18) 0.0369(7) Uani 1 1 d . . . H14A H -0.1467 0.2245 0.1863 0.055 Uiso 1 1 calc R . . H14B H -0.1984 0.2805 0.1347 0.055 Uiso 1 1 calc R . . H14C H -0.2085 0.2867 0.2205 0.055 Uiso 1 1 calc R . . C15 C 0.0327(2) 0.44624(19) 0.32758(15) 0.0327(6) Uani 1 1 d . . . H15A H 0.0063 0.4957 0.3346 0.049 Uiso 1 1 calc R . . H15B H 0.0949 0.4517 0.3273 0.049 Uiso 1 1 calc R . . H15C H 0.0158 0.4125 0.3670 0.049 Uiso 1 1 calc R . . C16 C 0.14858(16) 0.37308(13) 0.04559(13) 0.0183(5) Uani 1 1 d . . . C17 C 0.13879(18) 0.29393(14) 0.05798(17) 0.0255(5) Uani 1 1 d . . . H17 H 0.0848 0.2744 0.0714 0.031 Uiso 1 1 calc R . . C18 C 0.2094(2) 0.24444(15) 0.0503(2) 0.0343(7) Uani 1 1 d . . . C19 C 0.30074(19) 0.35165(18) 0.01770(19) 0.0324(7) Uani 1 1 d . . . C20 C 0.22955(18) 0.40053(16) 0.02508(16) 0.0263(6) Uani 1 1 d . . . H20 H 0.2366 0.4528 0.0160 0.032 Uiso 1 1 calc R . . C21 C 0.07206(16) 0.61482(14) -0.12164(13) 0.0190(5) Uani 1 1 d . . . C22 C 0.13230(17) 0.59179(15) -0.17413(15) 0.0238(5) Uani 1 1 d . . . H22 H 0.1399 0.5397 -0.1837 0.029 Uiso 1 1 calc R . . C23 C 0.18142(19) 0.64534(17) -0.21259(15) 0.0286(6) Uani 1 1 d . . . C24 C 0.1704(2) 0.72383(15) -0.19709(15) 0.0264(5) Uani 1 1 d . . . H24 H 0.2035 0.7601 -0.2223 0.032 Uiso 1 1 calc R . . C25 C 0.11035(18) 0.74812(15) -0.14441(15) 0.0231(5) Uani 1 1 d . . . C26 C 0.06137(16) 0.69320(14) -0.10761(13) 0.0196(5) Uani 1 1 d . . . H26 H 0.0206 0.7089 -0.0729 0.024 Uiso 1 1 calc R . . C27 C 0.2452(2) 0.6205(2) -0.2718(2) 0.0451(9) Uani 1 1 d . . . H27A H 0.2452 0.5654 -0.2755 0.068 Uiso 1 1 calc R . . H27B H 0.3025 0.6380 -0.2590 0.068 Uiso 1 1 calc R . . H27C H 0.2284 0.6423 -0.3183 0.068 Uiso 1 1 calc R . . C28 C 0.0992(2) 0.83254(16) -0.12732(17) 0.0334(7) Uani 1 1 d . . . H28A H 0.0537 0.8534 -0.1575 0.050 Uiso 1 1 calc R . . H28B H 0.1526 0.8592 -0.1373 0.050 Uiso 1 1 calc R . . H28C H 0.0843 0.8387 -0.0762 0.050 Uiso 1 1 calc R . . C29 C -0.07677(17) 0.55422(14) -0.12312(15) 0.0226(5) Uani 1 1 d . . . C30 C -0.15318(16) 0.54504(14) -0.08372(17) 0.0257(6) Uani 1 1 d . . . H30 H -0.1507 0.5421 -0.0325 0.031 Uiso 1 1 calc R . . C31 C -0.23391(19) 0.54009(15) -0.1187(2) 0.0346(7) Uani 1 1 d . . . C32 C -0.2349(2) 0.54372(17) -0.1957(2) 0.0454(10) Uani 1 1 d . . . H32 H -0.2879 0.5400 -0.2202 0.055 Uiso 1 1 calc R . . C33 C -0.1596(3) 0.55264(17) -0.23678(18) 0.0388(8) Uani 1 1 d . . . C34 C -0.0806(2) 0.55854(16) -0.19960(17) 0.0302(6) Uani 1 1 d . . . H34 H -0.0296 0.5655 -0.2264 0.036 Uiso 1 1 calc R . . C35 C -0.31661(18) 0.53417(17) -0.0747(2) 0.0470(10) Uani 1 1 d . . . H35A H -0.3467 0.5825 -0.0761 0.071 Uiso 1 1 calc R . . H35B H -0.3030 0.5213 -0.0245 0.071 Uiso 1 1 calc R . . H35C H -0.3530 0.4948 -0.0955 0.071 Uiso 1 1 calc R . . C36 C -0.1622(3) 0.5569(2) -0.3203(2) 0.0599(12) Uani 1 1 d . . . H36A H -0.1439 0.6071 -0.3360 0.090 Uiso 1 1 calc R . . H36B H -0.2204 0.5475 -0.3371 0.090 Uiso 1 1 calc R . . H36C H -0.1238 0.5188 -0.3406 0.090 Uiso 1 1 calc R . . C37 C 0.2903(2) 0.27358(17) 0.03097(17) 0.0342(7) Uani 1 1 d . . . H37 H 0.3377 0.2406 0.0269 0.041 Uiso 1 1 calc R . . C38 C 0.1982(3) 0.15948(17) 0.0642(3) 0.0603(11) Uani 1 1 d . . . H38A H 0.2427 0.1315 0.0384 0.090 Uiso 1 1 calc R . . H38B H 0.1421 0.1434 0.0468 0.090 Uiso 1 1 calc R . . H38C H 0.2028 0.1494 0.1161 0.090 Uiso 1 1 calc R . . C39 C -0.1329(2) 0.6069(2) 0.20138(19) 0.0385(8) Uani 1 1 d . . . H39A H -0.1917 0.6266 0.1974 0.046 Uiso 1 1 calc R . . H39B H -0.1317 0.5668 0.2386 0.046 Uiso 1 1 calc R . . C40 C -0.0700(2) 0.6708(2) 0.22071(18) 0.0394(7) Uani 1 1 d . . . H40A H -0.0698 0.6811 0.2733 0.047 Uiso 1 1 calc R . . H40B H -0.0838 0.7179 0.1944 0.047 Uiso 1 1 calc R . . C41 C -0.0492(4) 0.3227(3) -0.1691(2) 0.115(3) Uani 1 1 d . . . H41A H -0.0987 0.3559 -0.1636 0.172 Uiso 1 1 calc R . . H41B H -0.0637 0.2722 -0.1516 0.172 Uiso 1 1 calc R . . H41C H -0.0332 0.3200 -0.2202 0.172 Uiso 1 1 calc R . . C42 C 0.1122(3) 0.3114(2) -0.1364(2) 0.0649(13) Uani 1 1 d . . . H42A H 0.1274 0.3114 -0.1878 0.097 Uiso 1 1 calc R . . H42B H 0.1070 0.2593 -0.1193 0.097 Uiso 1 1 calc R . . H42C H 0.1566 0.3373 -0.1087 0.097 Uiso 1 1 calc R . . C43 C 0.3898(2) 0.3839(2) -0.0041(3) 0.0609(12) Uani 1 1 d . . . H43A H 0.3989 0.3763 -0.0560 0.091 Uiso 1 1 calc R . . H43B H 0.4344 0.3577 0.0231 0.091 Uiso 1 1 calc R . . H43C H 0.3918 0.4378 0.0069 0.091 Uiso 1 1 calc R . . C44 C 0.26927(18) 0.61054(16) 0.02162(19) 0.0285(6) Uani 1 1 d . . . H44 H 0.2501 0.5652 -0.0061 0.034 Uiso 1 1 calc R . . C45 C 0.26118(18) 0.60280(16) 0.09799(19) 0.0287(7) Uani 1 1 d . . . H45 H 0.2369 0.5531 0.1130 0.034 Uiso 1 1 calc R . . C46 C 0.3169(2) 0.63989(18) 0.1571(2) 0.0419(9) Uani 1 1 d . . . H46A H 0.3708 0.6113 0.1617 0.050 Uiso 1 1 calc R . . H46B H 0.2867 0.6369 0.2040 0.050 Uiso 1 1 calc R . . C47 C 0.3379(2) 0.72360(17) 0.14053(19) 0.0372(7) Uani 1 1 d . . . H47A H 0.3508 0.7500 0.1864 0.045 Uiso 1 1 calc R . . H47B H 0.3895 0.7259 0.1098 0.045 Uiso 1 1 calc R . . C48 C 0.3434(2) 0.65437(18) -0.0151(2) 0.0448(9) Uani 1 1 d . . . H48A H 0.3566 0.6304 -0.0621 0.054 Uiso 1 1 calc R . . H48B H 0.3949 0.6505 0.0157 0.054 Uiso 1 1 calc R . . C49 C 0.3226(2) 0.73936(16) -0.02798(17) 0.0319(7) Uani 1 1 d . . . H49A H 0.3764 0.7685 -0.0261 0.038 Uiso 1 1 calc R . . H49B H 0.2986 0.7452 -0.0772 0.038 Uiso 1 1 calc R . . C50 C 0.26019(18) 0.77290(16) 0.02643(18) 0.0260(6) Uani 1 1 d . . . H50 H 0.2326 0.8207 0.0100 0.031 Uiso 1 1 calc R . . C51 C 0.26439(19) 0.76478(16) 0.10191(17) 0.0248(6) Uani 1 1 d . . . H51 H 0.2395 0.8078 0.1298 0.030 Uiso 1 1 calc R . . Cl1 Cl 0.05538(4) 0.77559(3) 0.06530(4) 0.02065(12) Uani 1 1 d . . . N1 N -0.00779(14) 0.59800(12) 0.12584(12) 0.0182(4) Uani 1 1 d . . . O1 O -0.00704(11) 0.58229(9) -0.00903(9) 0.0161(3) Uani 1 1 d . . . O2 O 0.10611(10) 0.50364(8) 0.05961(10) 0.0154(3) Uani 1 1 d . . . O3 O 0.03631(13) 0.43252(10) -0.14491(10) 0.0230(4) Uani 1 1 d . . . O4 O 0.00374(12) 0.35166(9) -0.04893(10) 0.0230(4) Uani 1 1 d . . . P1 P 0.06176(4) 0.58854(3) 0.05833(4) 0.01388(10) Uani 1 1 d . . . Rh1 Rh 0.166299(11) 0.680642(10) 0.058800(11) 0.01654(4) Uani 1 1 d . . . 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 C1 0.0192(10) 0.0158(10) 0.0157(10) 0.0016(9) -0.0016(9) 0.0020(9) C2 0.0203(11) 0.0179(11) 0.0151(10) 0.0008(8) -0.0006(9) 0.0001(9) C3 0.0208(11) 0.0151(10) 0.0176(11) -0.0003(9) -0.0023(9) -0.0015(9) C4 0.0186(9) 0.0124(9) 0.0157(10) 0.0014(9) -0.0001(9) -0.0016(7) C5 0.061(2) 0.0272(15) 0.0204(13) -0.0051(12) 0.0052(14) -0.0139(14) C6 0.0173(11) 0.0197(11) 0.0326(14) 0.0033(11) 0.0039(10) 0.0002(9) C7 0.0284(13) 0.0280(13) 0.0201(12) -0.0015(11) 0.0034(11) -0.0034(11) C8 0.0169(10) 0.0149(10) 0.0198(11) 0.0041(9) 0.0011(9) 0.0006(8) C9 0.0240(12) 0.0185(11) 0.0210(12) 0.0018(10) -0.0017(10) -0.0034(9) C10 0.0221(11) 0.0244(13) 0.0267(13) 0.0045(11) 0.0008(10) -0.0026(9) C11 0.0253(12) 0.0246(13) 0.0244(13) 0.0109(11) 0.0032(11) -0.0001(10) C12 0.0253(12) 0.0265(14) 0.0182(12) 0.0043(11) 0.0008(10) 0.0005(11) C13 0.0185(10) 0.0193(11) 0.0177(11) 0.0028(9) 0.0002(9) -0.0007(9) C14 0.0342(15) 0.0395(16) 0.0371(16) 0.0085(14) 0.0027(15) -0.0144(15) C15 0.0383(16) 0.0415(17) 0.0182(13) 0.0030(12) 0.0001(12) -0.0085(13) C16 0.0219(11) 0.0180(10) 0.0151(11) -0.0008(8) -0.0025(8) 0.0012(8) C17 0.0299(12) 0.0173(10) 0.0294(13) 0.0020(12) 0.0016(12) 0.0018(9) C18 0.0407(16) 0.0201(12) 0.0423(18) 0.0014(13) 0.0079(15) 0.0083(11) C19 0.0220(13) 0.0308(15) 0.0446(18) 0.0009(13) 0.0048(12) 0.0084(11) C20 0.0263(13) 0.0188(12) 0.0339(15) 0.0007(11) 0.0024(12) 0.0033(10) C21 0.0213(11) 0.0208(12) 0.0149(11) 0.0037(9) -0.0014(9) 0.0022(9) C22 0.0272(12) 0.0250(13) 0.0192(12) 0.0047(10) 0.0018(10) 0.0060(10) C23 0.0295(15) 0.0350(15) 0.0214(13) 0.0059(11) 0.0083(11) 0.0051(12) C24 0.0268(12) 0.0263(13) 0.0260(13) 0.0118(11) 0.0008(12) 0.0004(12) C25 0.0255(12) 0.0239(12) 0.0200(12) 0.0043(10) -0.0034(10) 0.0002(10) C26 0.0224(11) 0.0212(13) 0.0154(10) 0.0026(9) 0.0003(9) 0.0017(9) C27 0.047(2) 0.048(2) 0.0394(19) 0.0111(16) 0.0249(16) 0.0150(16) C28 0.0443(17) 0.0227(15) 0.0332(15) 0.0073(12) -0.0010(13) -0.0057(12) C29 0.0246(12) 0.0150(11) 0.0281(13) 0.0001(10) -0.0096(11) 0.0024(9) C30 0.0202(12) 0.0178(11) 0.0392(15) 0.0000(11) -0.0082(11) -0.0006(9) C31 0.0254(13) 0.0124(11) 0.066(2) -0.0049(13) -0.0158(14) 0.0027(10) C32 0.0414(18) 0.0220(14) 0.073(3) -0.0132(16) -0.0381(19) 0.0088(13) C33 0.053(2) 0.0248(13) 0.0389(17) -0.0075(13) -0.0252(17) 0.0082(15) C34 0.0363(15) 0.0241(13) 0.0303(15) -0.0026(12) -0.0141(12) 0.0023(12) C35 0.0223(13) 0.0198(13) 0.099(3) 0.0007(17) -0.0200(16) -0.0042(10) C36 0.083(3) 0.055(2) 0.041(2) -0.0085(18) -0.039(2) 0.013(2) C37 0.0389(17) 0.0258(14) 0.0379(17) -0.0044(13) 0.0015(14) 0.0144(13) C38 0.062(2) 0.0213(14) 0.097(3) 0.007(2) 0.015(3) 0.0115(15) C39 0.0313(15) 0.0448(18) 0.0393(18) -0.0068(15) 0.0185(13) -0.0063(14) C40 0.0421(17) 0.0418(19) 0.0344(16) -0.0055(15) 0.0118(14) 0.0035(15) C41 0.175(6) 0.132(5) 0.037(2) 0.035(3) -0.046(3) -0.126(5) C42 0.111(4) 0.0352(19) 0.048(2) 0.0080(18) 0.032(2) 0.030(2) C43 0.0283(17) 0.045(2) 0.109(4) 0.001(2) 0.022(2) 0.0056(16) C44 0.0212(12) 0.0184(12) 0.0459(19) -0.0017(13) 0.0099(13) 0.0013(10) C45 0.0195(12) 0.0178(12) 0.0487(19) 0.0040(13) -0.0109(13) -0.0014(10) C46 0.0345(18) 0.0334(16) 0.058(2) 0.0064(16) -0.0181(16) -0.0065(13) C47 0.0361(16) 0.0296(14) 0.0459(18) 0.0042(14) -0.0171(16) -0.0106(14) C48 0.0297(16) 0.0324(15) 0.072(2) -0.0044(16) 0.0285(17) -0.0019(13) C49 0.0290(15) 0.0298(14) 0.0369(16) 0.0032(12) 0.0085(13) -0.0063(12) C50 0.0220(12) 0.0164(12) 0.0397(16) 0.0028(11) 0.0059(12) -0.0067(10) C51 0.0240(13) 0.0195(12) 0.0308(15) -0.0023(11) -0.0016(12) -0.0055(10) Cl1 0.0208(2) 0.0166(2) 0.0246(3) -0.0022(3) 0.0012(3) 0.00244(19) N1 0.0176(9) 0.0199(10) 0.0171(10) -0.0020(8) 0.0038(8) -0.0014(8) O1 0.0162(7) 0.0171(8) 0.0149(8) 0.0000(6) 0.0002(6) 0.0009(6) O2 0.0159(6) 0.0121(6) 0.0182(7) 0.0017(7) 0.0007(7) -0.0010(5) O3 0.0367(11) 0.0168(8) 0.0155(8) -0.0015(7) -0.0040(8) 0.0036(8) O4 0.0335(9) 0.0155(7) 0.0199(9) -0.0006(7) -0.0049(8) -0.0035(7) P1 0.0139(2) 0.0127(2) 0.0150(2) 0.0009(3) 0.0009(3) 0.00030(18) Rh1 0.01475(6) 0.01407(7) 0.02080(8) 0.00029(8) 0.00112(7) -0.00068(7) _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 C1 O1 1.454(3) . ? C1 C21 1.528(3) . ? C1 C29 1.533(3) . ? C1 C2 1.565(3) . ? C2 O3 1.412(3) . ? C2 C3 1.541(3) . ? C3 O4 1.425(3) . ? C3 C4 1.553(3) . ? C4 O2 1.454(3) . ? C4 C8 1.531(3) . ? C4 C16 1.536(3) . ? C5 O3 1.428(3) . ? C5 O4 1.428(3) . ? C5 C41 1.479(5) . ? C5 C42 1.548(5) . ? C6 N1 1.490(3) . ? C6 C39 1.518(4) . ? C7 N1 1.479(3) . ? C7 C40 1.520(4) . ? C8 C13 1.382(3) . ? C8 C9 1.399(3) . ? C9 C10 1.390(4) . ? C10 C11 1.391(4) . ? C10 C14 1.508(4) . ? C11 C12 1.392(4) . ? C12 C13 1.401(4) . ? C12 C15 1.501(4) . ? C16 C20 1.384(4) . ? C16 C17 1.402(3) . ? C17 C18 1.392(4) . ? C18 C37 1.388(5) . ? C18 C38 1.508(4) . ? C19 C37 1.388(4) . ? C19 C20 1.392(4) . ? C19 C43 1.531(5) . ? C21 C22 1.387(4) . ? C21 C26 1.396(3) . ? C22 C23 1.387(4) . ? C23 C24 1.404(4) . ? C23 C27 1.516(4) . ? C24 C25 1.393(4) . ? C25 C26 1.387(4) . ? C25 C28 1.510(4) . ? C29 C30 1.384(4) . ? C29 C34 1.389(4) . ? C30 C31 1.396(4) . ? C31 C32 1.398(5) . ? C31 C35 1.504(5) . ? C32 C33 1.385(5) . ? C33 C34 1.394(4) . ? C33 C36 1.515(5) . ? C39 C40 1.513(5) . ? C44 C45 1.396(4) . ? C44 C48 1.524(4) . ? C44 Rh1 2.108(3) . ? C45 C46 1.515(4) . ? C45 Rh1 2.113(3) . ? C46 C47 1.521(4) . ? C47 C51 1.510(4) . ? C48 C49 1.530(4) . ? C49 C50 1.495(4) . ? C50 C51 1.377(4) . ? C50 Rh1 2.236(3) . ? C51 Rh1 2.242(3) . ? Cl1 Rh1 2.3764(6) . ? N1 P1 1.633(2) . ? O1 P1 1.6188(18) . ? O2 P1 1.6261(15) . ? P1 Rh1 2.2688(6) . ? 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 O1 C1 C21 109.97(19) . . ? O1 C1 C29 105.61(19) . . ? C21 C1 C29 110.8(2) . . ? O1 C1 C2 108.04(17) . . ? C21 C1 C2 111.9(2) . . ? C29 C1 C2 110.32(19) . . ? O3 C2 C3 104.57(19) . . ? O3 C2 C1 111.60(19) . . ? C3 C2 C1 111.7(2) . . ? O4 C3 C2 104.20(19) . . ? O4 C3 C4 112.36(19) . . ? C2 C3 C4 111.6(2) . . ? O2 C4 C8 109.86(19) . . ? O2 C4 C16 105.16(17) . . ? C8 C4 C16 109.80(19) . . ? O2 C4 C3 107.07(17) . . ? C8 C4 C3 112.30(19) . . ? C16 C4 C3 112.35(19) . . ? O3 C5 O4 106.7(2) . . ? O3 C5 C41 108.5(3) . . ? O4 C5 C41 109.8(3) . . ? O3 C5 C42 108.3(3) . . ? O4 C5 C42 107.7(3) . . ? C41 C5 C42 115.5(4) . . ? N1 C6 C39 103.8(2) . . ? N1 C7 C40 102.6(2) . . ? C13 C8 C9 119.2(2) . . ? C13 C8 C4 119.4(2) . . ? C9 C8 C4 121.2(2) . . ? C10 C9 C8 120.9(2) . . ? C9 C10 C11 118.6(2) . . ? C9 C10 C14 121.1(2) . . ? C11 C10 C14 120.3(2) . . ? C10 C11 C12 121.8(2) . . ? C11 C12 C13 118.2(2) . . ? C11 C12 C15 121.9(2) . . ? C13 C12 C15 119.9(2) . . ? C8 C13 C12 121.2(2) . . ? C20 C16 C17 118.6(2) . . ? C20 C16 C4 121.5(2) . . ? C17 C16 C4 119.9(2) . . ? C18 C17 C16 120.4(3) . . ? C37 C18 C17 119.9(3) . . ? C37 C18 C38 120.1(3) . . ? C17 C18 C38 120.0(3) . . ? C37 C19 C20 119.3(3) . . ? C37 C19 C43 120.4(3) . . ? C20 C19 C43 120.3(3) . . ? C16 C20 C19 121.5(3) . . ? C22 C21 C26 119.0(2) . . ? C22 C21 C1 121.6(2) . . ? C26 C21 C1 119.1(2) . . ? C23 C22 C21 121.0(3) . . ? C22 C23 C24 119.1(3) . . ? C22 C23 C27 121.1(3) . . ? C24 C23 C27 119.8(3) . . ? C25 C24 C23 120.8(3) . . ? C26 C25 C24 118.7(2) . . ? C26 C25 C28 120.6(3) . . ? C24 C25 C28 120.7(2) . . ? C25 C26 C21 121.4(2) . . ? C30 C29 C34 119.0(2) . . ? C30 C29 C1 121.1(2) . . ? C34 C29 C1 119.8(2) . . ? C29 C30 C31 121.9(3) . . ? C30 C31 C32 117.4(3) . . ? C30 C31 C35 121.0(3) . . ? C32 C31 C35 121.5(3) . . ? C33 C32 C31 122.2(3) . . ? C32 C33 C34 118.5(3) . . ? C32 C33 C36 121.4(3) . . ? C34 C33 C36 120.1(4) . . ? C29 C34 C33 121.0(3) . . ? C19 C37 C18 120.3(3) . . ? C40 C39 C6 105.0(2) . . ? C39 C40 C7 101.8(2) . . ? C45 C44 C48 123.2(3) . . ? C45 C44 Rh1 70.86(17) . . ? C48 C44 Rh1 114.34(19) . . ? C44 C45 C46 127.5(3) . . ? C44 C45 Rh1 70.52(17) . . ? C46 C45 Rh1 110.8(2) . . ? C45 C46 C47 112.8(3) . . ? C51 C47 C46 112.7(3) . . ? C44 C48 C49 113.2(3) . . ? C50 C49 C48 114.2(2) . . ? C51 C50 C49 125.8(3) . . ? C51 C50 Rh1 72.31(17) . . ? C49 C50 Rh1 107.94(18) . . ? C50 C51 C47 123.0(3) . . ? C50 C51 Rh1 71.88(17) . . ? C47 C51 Rh1 110.84(18) . . ? C7 N1 C6 109.9(2) . . ? C7 N1 P1 121.38(17) . . ? C6 N1 P1 128.60(18) . . ? C1 O1 P1 126.57(15) . . ? C4 O2 P1 132.17(13) . . ? C2 O3 C5 108.87(19) . . ? C3 O4 C5 110.28(19) . . ? O1 P1 O2 102.94(9) . . ? O1 P1 N1 98.26(9) . . ? O2 P1 N1 110.81(10) . . ? O1 P1 Rh1 120.87(7) . . ? O2 P1 Rh1 110.09(6) . . ? N1 P1 Rh1 112.95(8) . . ? C44 Rh1 C45 38.62(11) . . ? C44 Rh1 C50 81.14(11) . . ? C45 Rh1 C50 95.85(12) . . ? C44 Rh1 C51 89.05(12) . . ? C45 Rh1 C51 80.58(10) . . ? C50 Rh1 C51 35.81(10) . . ? C44 Rh1 P1 97.05(8) . . ? C45 Rh1 P1 92.20(8) . . ? C50 Rh1 P1 164.27(8) . . ? C51 Rh1 P1 159.81(8) . . ? C44 Rh1 Cl1 162.98(9) . . ? C45 Rh1 Cl1 157.49(10) . . ? C50 Rh1 Cl1 88.74(8) . . ? C51 Rh1 Cl1 90.70(8) . . ? P1 Rh1 Cl1 88.969(19) . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 36.43 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 1.860 _refine_diff_density_min -0.943 _refine_diff_density_rms 0.103