# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 186/1837 data_1b _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C58.75 H78 Cl3 O7 P Rh' _chemical_formula_weight 1136.44 _chemical_melting_point ? _chemical_compound_source ? 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' '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' 'Rh' 'Rh' -1.1178 0.9187 '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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 15.276(2) _cell_length_b 18.109(3) _cell_length_c 21.303(3) _cell_angle_alpha 94.378(10) _cell_angle_beta 93.617(10) _cell_angle_gamma 96.183(13) _cell_volume 5826.4(13) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.3 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.296 _exptl_crystal_density_method ? _exptl_crystal_F_000 2390 _exptl_absorpt_coefficient_mu 0.507 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _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 'Siemens SMART CCD diffractometer' _diffrn_measurement_method '\w rotation with narrow frames' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 30957 _diffrn_reflns_av_R_equivalents 0.0398 _diffrn_reflns_av_sigmaI/netI 0.0466 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 1.55 _diffrn_reflns_theta_max 25.00 _reflns_number_total 20074 _reflns_number_observed 15897 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'SMART (Siemens, 1995b)' _computing_cell_refinement 'SMART (Siemens, 1995b)' _computing_data_reduction 'SMART (Siemens, 1995b)' _computing_structure_solution 'SHELXTL (Siemens, 1995a)' _computing_structure_refinement 'SHELXTL (Siemens, 1995a)' _computing_molecular_graphics 'SHELXTL (Siemens, 1995a)' _computing_publication_material 'SHELXTL (Siemens, 1995a)' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 483 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+22.9358P] 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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 19591 _refine_ls_number_parameters 1350 _refine_ls_number_restraints 16 _refine_ls_R_factor_all 0.0869 _refine_ls_R_factor_obs 0.0621 _refine_ls_wR_factor_all 0.1612 _refine_ls_wR_factor_obs 0.1352 _refine_ls_goodness_of_fit_all 1.113 _refine_ls_goodness_of_fit_obs 1.121 _refine_ls_restrained_S_all 1.186 _refine_ls_restrained_S_obs 1.128 _refine_ls_shift/esd_max 0.006 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Rh1 Rh 0.85357(2) 1.09170(2) -0.15648(2) 0.02324(10) Uani 1 d . . P1 P 0.91098(8) 1.17082(7) -0.21911(6) 0.0222(3) Uani 1 d . . C1 C 0.9044(3) 1.1461(3) -0.0858(2) 0.0308(11) Uani 1 d . . O1 O 0.9333(3) 1.1743(2) -0.0376(2) 0.0534(12) Uani 1 d . . O101 O 1.1478(2) 1.1636(2) -0.2791(2) 0.0384(9) Uani 1 d . . H101 H 1.1263(33) 1.2033(10) -0.2693(22) 0.058 Uiso 1 calc R . O102 O 1.0032(2) 1.2254(2) -0.20386(15) 0.0260(7) Uani 1 d . . O103 O 0.8422(2) 1.2305(2) -0.23147(15) 0.0235(7) Uani 1 d . . O104 O 0.9225(2) 1.1324(2) -0.28742(15) 0.0254(7) Uani 1 d . . C101 C 1.1132(3) 1.1074(3) -0.2425(3) 0.0316(11) Uani 1 d . . C102 C 1.1262(3) 1.1154(3) -0.1777(3) 0.0338(12) Uani 1 d . . C103 C 1.0956(3) 1.0554(3) -0.1441(3) 0.0371(13) Uani 1 d . . H10B H 1.1049(3) 1.0602(3) -0.0994(3) 0.044 Uiso 1 calc R . C104 C 1.0524(3) 0.9894(3) -0.1736(3) 0.0395(13) Uani 1 d . . C105 C 1.0365(3) 0.9867(3) -0.2390(3) 0.0358(12) Uani 1 d . . H10C H 1.0043(3) 0.9433(3) -0.2604(3) 0.043 Uiso 1 calc R . C106 C 1.0660(3) 1.0449(3) -0.2743(3) 0.0315(11) Uani 1 d . . C107 C 1.0236(4) 0.9227(4) -0.1362(3) 0.051(2) Uani 1 d . . C108 C 0.9472(6) 0.8752(6) -0.1672(5) 0.129(5) Uani 1 d . . H10D H 0.8993(6) 0.9057(6) -0.1760(5) 0.194 Uiso 1 calc R . H10E H 0.9276(6) 0.8368(6) -0.1396(5) 0.194 Uiso 1 calc R . H10F H 0.9637(6) 0.8514(6) -0.2070(5) 0.194 Uiso 1 calc R . C109 C 0.9930(6) 0.9512(5) -0.0708(5) 0.098(3) Uani 1 d . . H10G H 1.0416(6) 0.9836(5) -0.0473(5) 0.147 Uiso 1 calc R . H10H H 0.9761(6) 0.9085(5) -0.0468(5) 0.147 Uiso 1 calc R . H10I H 0.9423(6) 0.9792(5) -0.0775(5) 0.147 Uiso 1 calc R . C110 C 1.1027(5) 0.8825(4) -0.1200(4) 0.079(3) Uani 1 d . . H11A H 1.1506(5) 0.9183(4) -0.0995(4) 0.118 Uiso 1 calc R . H11B H 1.1225(5) 0.8588(4) -0.1587(4) 0.118 Uiso 1 calc R . H11C H 1.0864(5) 0.8443(4) -0.0914(4) 0.118 Uiso 1 calc R . C111 C 1.1698(3) 1.1883(3) -0.1438(3) 0.0397(13) Uani 1 d . . H11D H 1.2045(3) 1.2153(3) -0.1743(3) 0.048 Uiso 1 calc R . H11E H 1.2122(3) 1.1761(3) -0.1101(3) 0.048 Uiso 1 calc R . C112 C 1.0322(3) 1.2615(3) -0.1430(2) 0.0284(11) Uani 1 d . . C113 C 0.9876(3) 1.3177(3) -0.1145(2) 0.0301(11) Uani 1 d . . C114 C 1.0213(4) 1.3500(3) -0.0557(3) 0.0382(13) Uani 1 d . . H11E H 0.9919(4) 1.3884(3) -0.0363(3) 0.046 Uiso 1 calc R . C115 C 1.0960(4) 1.3294(3) -0.0234(3) 0.051(2) Uani 1 d . . C116 C 1.1387(4) 1.2757(3) -0.0543(3) 0.0453(15) Uani 1 d . . H11F H 1.1903(4) 1.2611(3) -0.0336(3) 0.054 Uiso 1 calc R . C117 C 1.1105(3) 1.2414(3) -0.1141(3) 0.0337(12) Uani 1 d . . C118 C 1.1265(6) 1.3645(4) 0.0432(4) 0.080(3) Uani 1 d . . C119 C 1.0412(12) 1.3357(9) 0.0889(6) 0.130(7) Uani 0.77(2) d PD . H11G H 0.9869(12) 1.3548(9) 0.0734(6) 0.195 Uiso 0.77(2) calc PR . H11H H 1.0563(12) 1.3550(9) 0.1329(6) 0.195 Uiso 0.77(2) calc PR . H11I H 1.0322(12) 1.2811(9) 0.0862(6) 0.195 Uiso 0.77(2) calc PR . C120 C 1.1970(11) 1.3310(9) 0.0738(6) 0.133(8) Uani 0.77(2) d PD . H12A H 1.1896(11) 1.2772(9) 0.0620(6) 0.200 Uiso 0.77(2) calc PR . H12B H 1.1959(11) 1.3401(9) 0.1197(6) 0.200 Uiso 0.77(2) calc PR . H12C H 1.2537(11) 1.3529(9) 0.0605(6) 0.200 Uiso 0.77(2) calc PR . C121 C 1.1212(9) 1.4446(5) 0.0525(5) 0.079(4) Uani 0.77(2) d PD . H12D H 1.0690(9) 1.4571(5) 0.0280(5) 0.119 Uiso 0.77(2) calc PR . H12E H 1.1743(9) 1.4717(5) 0.0382(5) 0.119 Uiso 0.77(2) calc PR . H12F H 1.1165(9) 1.4588(5) 0.0974(5) 0.119 Uiso 0.77(2) calc PR . C501 C 1.1212(15) 1.3124(17) 0.0863(15) 0.055(9) Uiso 0.23(2) d PD 2 H50A H 1.0592(15) 1.2995(17) 0.0946(15) 0.083 Uiso 0.23(2) calc PR 2 H50B H 1.1549(15) 1.3326(17) 0.1257(15) 0.083 Uiso 0.23(2) calc PR 2 H50C H 1.1456(15) 1.2676(17) 0.0696(15) 0.083 Uiso 0.23(2) calc PR 2 C502 C 1.2004(26) 1.4211(34) 0.0359(28) 0.148(25) Uiso 0.23(2) d PD 2 H50D H 1.1852(26) 1.4507(34) 0.0009(28) 0.222 Uiso 0.23(2) calc PR 2 H50E H 1.2530(26) 1.3967(34) 0.0268(28) 0.222 Uiso 0.23(2) calc PR 2 H50F H 1.2125(26) 1.4539(34) 0.0749(28) 0.222 Uiso 0.23(2) calc PR 2 C503 C 1.0561(35) 1.4044(23) 0.0719(36) 0.196(35) Uiso 0.23(2) d PD 2 H50G H 1.0460(35) 1.4475(23) 0.0483(36) 0.294 Uiso 0.23(2) calc PR 2 H50H H 1.0747(35) 1.4214(23) 0.1159(36) 0.294 Uiso 0.23(2) calc PR 2 H50I H 1.0013(35) 1.3705(23) 0.0702(36) 0.294 Uiso 0.23(2) calc PR 2 C122 C 0.9029(3) 1.3450(3) -0.1408(2) 0.0301(11) Uani 1 d . . H12G H 0.8529(3) 1.3079(3) -0.1332(2) 0.036 Uiso 1 calc R . H12H H 0.8949(3) 1.3920(3) -0.1159(2) 0.036 Uiso 1 calc R . C123 C 0.8668(3) 1.3003(3) -0.2538(2) 0.0230(10) Uani 1 d . . C124 C 0.8554(3) 1.3074(3) -0.3181(2) 0.0242(10) Uani 1 d . . C125 C 0.8707(3) 1.3792(3) -0.3376(2) 0.0303(11) Uani 1 d . . H12H H 0.8624(3) 1.3861(3) -0.3813(2) 0.036 Uiso 1 calc R . C126 C 0.8977(3) 1.4408(3) -0.2956(3) 0.0326(12) Uani 1 d . . C127 C 0.9122(3) 1.4295(3) -0.2314(2) 0.0315(11) Uani 1 d . . H12I H 0.9336(3) 1.4707(3) -0.2021(2) 0.038 Uiso 1 calc R . C128 C 0.8957(3) 1.3591(3) -0.2099(2) 0.0252(10) Uani 1 d . . C129 C 0.9112(4) 1.5216(3) -0.3165(3) 0.0429(14) Uani 1 d . . C130 C 1.0052(5) 1.5568(4) -0.2961(4) 0.066(2) Uani 1 d . . H13A H 1.0159(5) 1.5559(4) -0.2504(4) 0.099 Uiso 1 calc R . H13B H 1.0124(5) 1.6085(4) -0.3073(4) 0.099 Uiso 1 calc R . H13C H 1.0474(5) 1.5286(4) -0.3177(4) 0.099 Uiso 1 calc R . C131 C 0.8940(6) 1.5228(4) -0.3879(3) 0.066(2) Uani 1 d . . H13D H 0.8337(6) 1.5002(4) -0.4008(3) 0.100 Uiso 1 calc R . H13E H 0.9362(6) 1.4946(4) -0.4095(3) 0.100 Uiso 1 calc R . H13F H 0.9012(6) 1.5745(4) -0.3992(3) 0.100 Uiso 1 calc R . C132 C 0.8445(5) 1.5670(3) -0.2834(3) 0.059(2) Uani 1 d . . H13G H 0.7842(5) 1.5444(3) -0.2965(3) 0.088 Uiso 1 calc R . H13H H 0.8520(5) 1.6184(3) -0.2953(3) 0.088 Uiso 1 calc R . H13I H 0.8549(5) 1.5669(3) -0.2376(3) 0.088 Uiso 1 calc R . C133 C 0.8277(3) 1.2385(3) -0.3625(2) 0.0263(10) Uani 1 d . . H13J H 0.7947(3) 1.2528(3) -0.4003(2) 0.032 Uiso 1 calc R . H13K H 0.7873(3) 1.2035(3) -0.3413(2) 0.032 Uiso 1 calc R . C134 C 0.9477(3) 1.1494(3) -0.3476(2) 0.0263(10) Uani 1 d . . C135 C 1.0099(3) 1.1068(3) -0.3738(2) 0.0289(11) Uani 1 d . . C136 C 1.0358(3) 1.1212(3) -0.4336(2) 0.0345(12) Uani 1 d . . H13L H 1.0802(3) 1.0944(3) -0.4507(2) 0.041 Uiso 1 calc R . C137 C 0.9996(3) 1.1731(3) -0.4695(3) 0.0354(12) Uani 1 d . . C138 C 0.9329(3) 1.2099(3) -0.4435(2) 0.0314(11) Uani 1 d . . H13M H 0.9052(3) 1.2439(3) -0.4677(2) 0.038 Uiso 1 calc R . C139 C 0.9051(3) 1.1990(3) -0.3831(2) 0.0246(10) Uani 1 d . . C140 C 1.0268(4) 1.1881(4) -0.5362(3) 0.051(2) Uani 1 d . . C141 C 1.0571(6) 1.2704(4) -0.5395(4) 0.085(3) Uani 1 d . . H14A H 1.0098(6) 1.2999(4) -0.5274(4) 0.127 Uiso 1 calc R . H14B H 1.0716(6) 1.2793(4) -0.5826(4) 0.127 Uiso 1 calc R . H14C H 1.1096(6) 1.2850(4) -0.5105(4) 0.127 Uiso 1 calc R . C142 C 1.1010(5) 1.1432(5) -0.5550(4) 0.079(3) Uani 1 d . . H14D H 1.0822(5) 1.0900(5) -0.5531(4) 0.119 Uiso 1 calc R . H14E H 1.1533(5) 1.1581(5) -0.5260(4) 0.119 Uiso 1 calc R . H14F H 1.1153(5) 1.1525(5) -0.5982(4) 0.119 Uiso 1 calc R . C143 C 0.9461(5) 1.1647(5) -0.5842(3) 0.068(2) Uani 1 d . . H14G H 0.9263(5) 1.1117(5) -0.5822(3) 0.102 Uiso 1 calc R . H14H H 0.9629(5) 1.1734(5) -0.6269(3) 0.102 Uiso 1 calc R . H14I H 0.8981(5) 1.1942(5) -0.5737(3) 0.102 Uiso 1 calc R . C144 C 1.0445(4) 1.0406(3) -0.3444(3) 0.0374(13) Uani 1 d . . H14J H 1.0002(4) 0.9967(3) -0.3557(3) 0.045 Uiso 1 calc R . H14K H 1.0987(4) 1.0303(3) -0.3651(3) 0.045 Uiso 1 calc R . O105 O 0.8010(2) 1.0243(2) -0.23339(15) 0.0273(7) Uani 1 d . . O106 O 0.7826(2) 1.0227(2) -0.10052(15) 0.0294(8) Uani 1 d . . C145 C 0.7457(3) 0.9653(3) -0.2349(2) 0.0273(10) Uani 1 d . . C146 C 0.7092(3) 0.9368(3) -0.1818(2) 0.0302(11) Uani 1 d . . H14K H 0.6667(3) 0.8942(3) -0.1893(2) 0.036 Uiso 1 calc R . C147 C 0.7292(3) 0.9647(3) -0.1188(2) 0.0247(10) Uani 1 d . . C148 C 0.7212(3) 0.9251(3) -0.3004(2) 0.0313(11) Uani 1 d . . C149 C 0.6212(4) 0.9138(4) -0.3143(3) 0.062(2) Uani 1 d . . H14L H 0.6069(4) 0.8880(4) -0.3564(3) 0.093 Uiso 1 calc R . H14M H 0.5983(4) 0.9624(4) -0.3127(3) 0.093 Uiso 1 calc R . H14N H 0.5942(4) 0.8839(4) -0.2828(3) 0.093 Uiso 1 calc R . C150 C 0.7576(4) 0.8493(3) -0.3023(3) 0.0464(15) Uani 1 d . . H15A H 0.8218(4) 0.8570(3) -0.2933(3) 0.070 Uiso 1 calc R . H15B H 0.7435(4) 0.8231(3) -0.3442(3) 0.070 Uiso 1 calc R . H15C H 0.7308(4) 0.8195(3) -0.2705(3) 0.070 Uiso 1 calc R . C151 C 0.7640(5) 0.9708(4) -0.3507(3) 0.050(2) Uani 1 d . . H15D H 0.8282(5) 0.9779(4) -0.3416(3) 0.075 Uiso 1 calc R . H15E H 0.7414(5) 1.0194(4) -0.3499(3) 0.075 Uiso 1 calc R . H15F H 0.7497(5) 0.9441(4) -0.3924(3) 0.075 Uiso 1 calc R . C152 C 0.6853(3) 0.9260(3) -0.0647(2) 0.0318(11) Uani 1 d . . C153 C 0.6429(6) 0.8479(4) -0.0840(3) 0.079(3) Uani 1 d . . H15G H 0.5994(6) 0.8487(4) -0.1197(3) 0.119 Uiso 1 calc R . H15H H 0.6135(6) 0.8277(4) -0.0485(3) 0.119 Uiso 1 calc R . H15I H 0.6883(6) 0.8165(4) -0.0965(3) 0.119 Uiso 1 calc R . C154 C 0.6141(5) 0.9738(4) -0.0438(4) 0.074(2) Uani 1 d . . H15J H 0.6410(5) 1.0248(4) -0.0311(4) 0.111 Uiso 1 calc R . H15K H 0.5861(5) 0.9528(4) -0.0080(4) 0.111 Uiso 1 calc R . H15L H 0.5695(5) 0.9745(4) -0.0788(4) 0.111 Uiso 1 calc R . C155 C 0.7526(5) 0.9262(5) -0.0097(3) 0.080(3) Uani 1 d . . H15M H 0.7796(5) 0.9773(5) 0.0024(3) 0.121 Uiso 1 calc R . H15N H 0.7985(5) 0.8951(5) -0.0218(3) 0.121 Uiso 1 calc R . H15O H 0.7236(5) 0.9063(5) 0.0262(3) 0.121 Uiso 1 calc R . Rh2 Rh 0.61627(3) 1.32107(2) 0.59370(2) 0.02515(10) Uani 1 d . . C2 C 0.6209(4) 1.4176(3) 0.6247(2) 0.0344(12) Uani 1 d . . O2 O 0.6276(3) 1.4809(2) 0.6392(2) 0.0526(11) Uani 1 d . . P2 P 0.57076(8) 1.27778(7) 0.68042(6) 0.0231(3) Uani 1 d . . O201 O 0.3192(2) 1.2433(2) 0.7162(2) 0.0331(8) Uani 1 d . . H201 H 0.2802(29) 1.2066(21) 0.7121(2) 0.050 Uiso 1 calc R . O202 O 0.5180(2) 1.1965(2) 0.66778(15) 0.0253(7) Uani 1 d . . O203 O 0.6568(2) 1.2664(2) 0.72515(15) 0.0252(7) Uani 1 d . . O204 O 0.5129(2) 1.3195(2) 0.73008(15) 0.0240(7) Uani 1 d . . C201 C 0.3396(3) 1.2642(3) 0.6571(2) 0.0289(11) Uani 1 d . . C202 C 0.3496(3) 1.2118(3) 0.6079(2) 0.0282(11) Uani 1 d . . C203 C 0.3674(3) 1.2362(3) 0.5485(2) 0.0319(11) Uani 1 d . . H20B H 0.3719(3) 1.2001(3) 0.5144(2) 0.038 Uiso 1 calc R . C204 C 0.3787(3) 1.3112(3) 0.5380(2) 0.0313(12) Uani 1 d . . C205 C 0.3754(3) 1.3622(3) 0.5903(2) 0.0293(11) Uani 1 d . . H20C H 0.3863(3) 1.4139(3) 0.5850(2) 0.035 Uiso 1 calc R . C206 C 0.3570(3) 1.3403(3) 0.6494(2) 0.0275(11) Uani 1 d . . C207 C 0.3931(4) 1.3368(3) 0.4719(2) 0.0362(12) Uani 1 d . . C208 C 0.3021(4) 1.3441(4) 0.4386(3) 0.059(2) Uani 1 d . . H20D H 0.2650(4) 1.2962(4) 0.4366(3) 0.089 Uiso 1 calc R . H20E H 0.3098(4) 1.3585(4) 0.3957(3) 0.089 Uiso 1 calc R . H20F H 0.2736(4) 1.3822(4) 0.4623(3) 0.089 Uiso 1 calc R . C209 C 0.4400(5) 1.2809(3) 0.4324(3) 0.056(2) Uani 1 d . . H20G H 0.4055(5) 1.2317(3) 0.4294(3) 0.084 Uiso 1 calc R . H20H H 0.4988(5) 1.2777(3) 0.4525(3) 0.084 Uiso 1 calc R . H20I H 0.4458(5) 1.2974(3) 0.3899(3) 0.084 Uiso 1 calc R . C210 C 0.4502(4) 1.4118(3) 0.4746(3) 0.049(2) Uani 1 d . . H21A H 0.4225(4) 1.4494(3) 0.4995(3) 0.073 Uiso 1 calc R . H21B H 0.4558(4) 1.4269(3) 0.4317(3) 0.073 Uiso 1 calc R . H21C H 0.5088(4) 1.4072(3) 0.4943(3) 0.073 Uiso 1 calc R . C211 C 0.3444(4) 1.1297(3) 0.6178(3) 0.0354(12) Uani 1 d . . H21D H 0.3664(4) 1.1039(3) 0.5803(3) 0.043 Uiso 1 calc R . H21E H 0.2814(4) 1.1107(3) 0.6191(3) 0.043 Uiso 1 calc R . C212 C 0.4792(3) 1.1371(3) 0.6994(2) 0.0263(10) Uani 1 d . . C213 C 0.5265(3) 1.1035(3) 0.7465(2) 0.0257(10) Uani 1 d . . C214 C 0.4827(3) 1.0426(3) 0.7723(2) 0.0313(11) Uani 1 d . . H21E H 0.5134(3) 1.0202(3) 0.8047(2) 0.038 Uiso 1 calc R . C215 C 0.3963(3) 1.0126(3) 0.7531(2) 0.0311(11) Uani 1 d . . C216 C 0.3541(3) 1.0454(3) 0.7046(2) 0.0317(11) Uani 1 d . . H21F H 0.2956(3) 1.0255(3) 0.6899(2) 0.038 Uiso 1 calc R . C217 C 0.3943(3) 1.1069(3) 0.6763(2) 0.0272(10) Uani 1 d . . C218 C 0.3521(4) 0.9452(3) 0.7841(3) 0.0387(13) Uani 1 d . . C219 C 0.3394(4) 0.9684(4) 0.8521(3) 0.056(2) Uani 1 d . . H21G H 0.3965(4) 0.9879(4) 0.8739(3) 0.083 Uiso 1 calc R . H21H H 0.3140(4) 0.9252(4) 0.8726(3) 0.083 Uiso 1 calc R . H21I H 0.2993(4) 1.0072(4) 0.8540(3) 0.083 Uiso 1 calc R . C220 C 0.4121(4) 0.8814(3) 0.7811(4) 0.055(2) Uani 1 d . . H22A H 0.4204(4) 0.8663(3) 0.7369(4) 0.083 Uiso 1 calc R . H22B H 0.3844(4) 0.8388(3) 0.8011(4) 0.083 Uiso 1 calc R . H22C H 0.4696(4) 0.8989(3) 0.8034(4) 0.083 Uiso 1 calc R . C221 C 0.2638(4) 0.9147(3) 0.7494(3) 0.052(2) Uani 1 d . . H22D H 0.2727(4) 0.8998(3) 0.7053(3) 0.078 Uiso 1 calc R . H22E H 0.2236(4) 0.9534(3) 0.7511(3) 0.078 Uiso 1 calc R . H22F H 0.2382(4) 0.8714(3) 0.7696(3) 0.078 Uiso 1 calc R . C222 C 0.6234(3) 1.1252(3) 0.7682(2) 0.0287(11) Uani 1 d . . H22G H 0.6460(3) 1.0829(3) 0.7884(2) 0.034 Uiso 1 calc R . H22H H 0.6569(3) 1.1336(3) 0.7306(2) 0.034 Uiso 1 calc R . C223 C 0.6533(3) 1.2630(3) 0.7904(2) 0.0254(10) Uani 1 d . . C224 C 0.6676(3) 1.3295(3) 0.8279(2) 0.0289(11) Uani 1 d . . C225 C 0.6712(3) 1.3252(3) 0.8932(2) 0.0344(12) Uani 1 d . . H22I H 0.6790(3) 1.3702(3) 0.9200(2) 0.041 Uiso 1 calc R . C226 C 0.6637(4) 1.2571(3) 0.9204(2) 0.0370(13) Uani 1 d . . C227 C 0.6481(3) 1.1921(3) 0.8795(2) 0.0342(12) Uani 1 d . . H22J H 0.6419(3) 1.1452(3) 0.8968(2) 0.041 Uiso 1 calc R . C228 C 0.6416(3) 1.1942(3) 0.8141(2) 0.0276(11) Uani 1 d . . C229 C 0.6725(5) 1.2544(4) 0.9924(3) 0.058(2) Uani 1 d . . C230 C 0.6078(13) 1.2979(12) 1.0219(7) 0.085(6) Uani 0.559(12) d P 1 H23A H 0.6098(13) 1.3467(12) 1.0046(7) 0.127 Uiso 0.559(12) calc PR 1 H23B H 0.6219(13) 1.3049(12) 1.0676(7) 0.127 Uiso 0.559(12) calc PR 1 H23C H 0.5484(13) 1.2712(12) 1.0131(7) 0.127 Uiso 0.559(12) calc PR 1 C231 C 0.6772(12) 1.1803(8) 1.0133(6) 0.070(5) Uani 0.559(12) d P 1 H23D H 0.7220(12) 1.1561(8) 0.9909(6) 0.105 Uiso 0.559(12) calc PR 1 H23E H 0.6196(12) 1.1505(8) 1.0043(6) 0.105 Uiso 0.559(12) calc PR 1 H23F H 0.6931(12) 1.1842(8) 1.0588(6) 0.105 Uiso 0.559(12) calc PR 1 C232 C 0.7716(9) 1.3018(8) 1.0145(5) 0.064(4) Uani 0.559(12) d P 1 H23G H 0.7728(9) 1.3527(8) 1.0017(5) 0.096 Uiso 0.559(12) calc PR 1 H23H H 0.8177(9) 1.2770(8) 0.9943(5) 0.096 Uiso 0.559(12) calc PR 1 H23I H 0.7822(9) 1.3035(8) 1.0605(5) 0.096 Uiso 0.559(12) calc PR 1 C504 C 0.5794(11) 1.2025(10) 1.0112(7) 0.061(5) Uani 0.441(12) d P 2 H50J H 0.5744(11) 1.1531(10) 0.9881(7) 0.092 Uiso 0.441(12) calc PR 2 H50K H 0.5276(11) 1.2274(10) 0.9996(7) 0.092 Uiso 0.441(12) calc PR 2 H50L H 0.5827(11) 1.1970(10) 1.0567(7) 0.092 Uiso 0.441(12) calc PR 2 C505 C 0.7450(12) 1.2090(11) 1.0108(6) 0.056(5) Uani 0.441(12) d P 2 H50M H 0.7407(12) 1.1635(11) 0.9823(6) 0.084 Uiso 0.441(12) calc PR 2 H50N H 0.7394(12) 1.1958(11) 1.0543(6) 0.084 Uiso 0.441(12) calc PR 2 H50O H 0.8023(12) 1.2382(11) 1.0080(6) 0.084 Uiso 0.441(12) calc PR 2 C506 C 0.6693(16) 1.3248(13) 1.0305(8) 0.072(6) Uani 0.441(12) d P 2 H50P H 0.6196(16) 1.3496(13) 1.0143(8) 0.109 Uiso 0.441(12) calc PR 2 H50Q H 0.7245(16) 1.3572(13) 1.0282(8) 0.109 Uiso 0.441(12) calc PR 2 H50R H 0.6616(16) 1.3148(13) 1.0745(8) 0.109 Uiso 0.441(12) calc PR 2 C233 C 0.6810(3) 1.4021(3) 0.7974(3) 0.0310(11) Uani 1 d . . H23J H 0.7137(3) 1.3938(3) 0.7593(3) 0.037 Uiso 1 calc R . H23K H 0.7187(3) 1.4388(3) 0.8271(3) 0.037 Uiso 1 calc R . C234 C 0.5207(3) 1.3980(3) 0.7461(2) 0.0250(10) Uani 1 d . . C235 C 0.4474(3) 1.4349(3) 0.7316(2) 0.0268(10) Uani 1 d . . C236 C 0.4543(3) 1.5120(3) 0.7461(2) 0.0322(11) Uani 1 d . . H23L H 0.4050(3) 1.5374(3) 0.7353(2) 0.039 Uiso 1 calc R . C237 C 0.5297(4) 1.5532(3) 0.7755(2) 0.0332(12) Uani 1 d . . C238 C 0.5993(3) 1.5130(3) 0.7926(2) 0.0292(11) Uani 1 d . . H23M H 0.6506(3) 1.5390(3) 0.8149(2) 0.035 Uiso 1 calc R . C239 C 0.5971(3) 1.4363(3) 0.7783(2) 0.0270(10) Uani 1 d . . C240 C 0.5373(4) 1.6375(3) 0.7931(3) 0.0428(14) Uani 1 d . . C241 C 0.5409(6) 1.6513(4) 0.8651(4) 0.073(2) Uani 1 d . . H24A H 0.5910(6) 1.6292(4) 0.8839(4) 0.110 Uiso 1 calc R . H24B H 0.4860(6) 1.6285(4) 0.8805(4) 0.110 Uiso 1 calc R . H24C H 0.5478(6) 1.7051(4) 0.8771(4) 0.110 Uiso 1 calc R . C242 C 0.4592(6) 1.6720(4) 0.7638(6) 0.114(4) Uani 1 d . . H24D H 0.4570(6) 1.6632(4) 0.7177(6) 0.171 Uiso 1 calc R . H24E H 0.4662(6) 1.7258(4) 0.7757(6) 0.171 Uiso 1 calc R . H24F H 0.4043(6) 1.6492(4) 0.7792(6) 0.171 Uiso 1 calc R . C243 C 0.6233(5) 1.6749(4) 0.7699(4) 0.069(2) Uani 1 d . . H24G H 0.6737(5) 1.6529(4) 0.7885(4) 0.103 Uiso 1 calc R . H24H H 0.6293(5) 1.7284(4) 0.7826(4) 0.103 Uiso 1 calc R . H24I H 0.6216(5) 1.6670(4) 0.7238(4) 0.103 Uiso 1 calc R . C244 C 0.3573(3) 1.3966(3) 0.7060(3) 0.0323(12) Uani 1 d . . H24J H 0.3297(3) 1.3709(3) 0.7404(3) 0.039 Uiso 1 calc R . H24K H 0.3198(3) 1.4353(3) 0.6943(3) 0.039 Uiso 1 calc R . O205 O 0.6741(2) 1.3575(2) 0.5152(2) 0.0350(8) Uani 1 d . . O206 O 0.6156(2) 1.2142(2) 0.5553(2) 0.0301(8) Uani 1 d . . C245 C 0.6987(3) 1.3175(3) 0.4697(2) 0.0330(12) Uani 1 d . . C246 C 0.6901(4) 1.2395(3) 0.4634(2) 0.0349(12) Uani 1 d . . H24L H 0.7144(4) 1.2163(3) 0.4280(2) 0.042 Uiso 1 calc R . C247 C 0.6485(3) 1.1926(3) 0.5049(2) 0.0310(11) Uani 1 d . . C248 C 0.7455(4) 1.3629(3) 0.4199(3) 0.0398(13) Uani 1 d . . C249 C 0.6885(5) 1.4250(4) 0.4035(3) 0.055(2) Uani 1 d . . H24M H 0.6312(5) 1.4025(4) 0.3838(3) 0.082 Uiso 1 calc R . H24N H 0.7185(5) 1.4564(4) 0.3741(3) 0.082 Uiso 1 calc R . H24O H 0.6797(5) 1.4554(4) 0.4421(3) 0.082 Uiso 1 calc R . C250 C 0.8347(4) 1.3977(4) 0.4505(4) 0.064(2) Uani 1 d . . H25A H 0.8260(4) 1.4274(4) 0.4896(4) 0.096 Uiso 1 calc R . H25B H 0.8642(4) 1.4299(4) 0.4215(4) 0.096 Uiso 1 calc R . H25C H 0.8713(4) 1.3582(4) 0.4602(4) 0.096 Uiso 1 calc R . C251 C 0.7588(6) 1.3166(4) 0.3589(3) 0.068(2) Uani 1 d . . H25D H 0.7014(6) 1.2943(4) 0.3393(3) 0.102 Uiso 1 calc R . H25E H 0.7954(6) 1.2770(4) 0.3685(3) 0.102 Uiso 1 calc R . H25F H 0.7883(6) 1.3487(4) 0.3298(3) 0.102 Uiso 1 calc R . C252 C 0.6400(4) 1.1072(3) 0.4891(3) 0.0367(12) Uani 1 d . . C253 C 0.7308(5) 1.0808(4) 0.4807(4) 0.069(2) Uani 1 d . . H25G H 0.7582(5) 1.1055(4) 0.4464(4) 0.104 Uiso 1 calc R . H25H H 0.7240(5) 1.0267(4) 0.4705(4) 0.104 Uiso 1 calc R . H25I H 0.7683(5) 1.0933(4) 0.5200(4) 0.104 Uiso 1 calc R . C254 C 0.5798(5) 1.0873(4) 0.4286(3) 0.059(2) Uani 1 d . . H25J H 0.6061(5) 1.1120(4) 0.3938(3) 0.089 Uiso 1 calc R . H25K H 0.5219(5) 1.1041(4) 0.4348(3) 0.089 Uiso 1 calc R . H25L H 0.5730(5) 1.0332(4) 0.4186(3) 0.089 Uiso 1 calc R . C255 C 0.5980(5) 1.0683(3) 0.5427(3) 0.054(2) Uani 1 d . . H25M H 0.6360(5) 1.0806(3) 0.5817(3) 0.082 Uiso 1 calc R . H25N H 0.5912(5) 1.0143(3) 0.5322(3) 0.082 Uiso 1 calc R . H25O H 0.5400(5) 1.0852(3) 0.5485(3) 0.082 Uiso 1 calc R . C301 C 0.8790(5) 1.6700(5) -0.6340(5) 0.085(3) Uani 1 d . . H30A H 0.9322(5) 1.7033(5) -0.6168(5) 0.102 Uiso 1 calc R . H30B H 0.8268(5) 1.6962(5) -0.6253(5) 0.102 Uiso 1 calc R . Cl1 Cl 0.8732(2) 1.59141(14) -0.5959(2) 0.1175(10) Uani 1 d . . Cl2 Cl 0.8832(2) 1.65407(13) -0.71585(15) 0.0994(8) Uani 1 d . . C302 C 0.5708(5) 0.7467(5) 0.1428(3) 0.064(2) Uani 0.52(3) d P 1 H30C H 0.5912(5) 0.7632(5) 0.1872(3) 0.077 Uiso 0.52(3) calc PR 1 H30D H 0.5068(5) 0.7297(5) 0.1416(3) 0.077 Uiso 0.52(3) calc PR 1 Cl3 Cl 0.6233(5) 0.6756(4) 0.1190(4) 0.079(3) Uani 0.52(3) d P 1 Cl4 Cl 0.5862(8) 0.8232(8) 0.0972(6) 0.091(3) Uani 0.52(3) d P 1 C510 C 0.5708(5) 0.7467(5) 0.1428(3) 0.064(2) Uani 0.48(3) d P 2 H51A H 0.5057(10) 0.7390(7) 0.1433(17) 0.077 Uiso 0.48(3) calc PR 2 H51B H 0.5964(10) 0.7421(7) 0.1860(17) 0.077 Uiso 0.48(3) calc PR 2 Cl3' Cl 0.6075(10) 0.6750(7) 0.0881(17) 0.176(7) Uani 0.48(3) d P 2 Cl4' Cl 0.6016(9) 0.8326(7) 0.1216(12) 0.098(5) Uani 0.48(3) d P 2 C303 C 0.7263(8) 1.5011(7) -0.8523(8) 0.199(7) Uani 0.851(8) d PD 1 H30E H 0.6851(8) 1.4859(7) -0.8900(8) 0.239 Uiso 0.851(8) calc PR 1 H30F H 0.7021(8) 1.5359(7) -0.8216(8) 0.239 Uiso 0.851(8) calc PR 1 Cl5 Cl 0.7851(12) 1.4184(13) -0.8152(8) 0.677(19) Uani 0.851(8) d PD 1 Cl6 Cl 0.8322(12) 1.5239(12) -0.8670(9) 0.619(17) Uani 0.851(8) d PD 1 C511 C 0.8210(15) 1.5397(14) -0.8842(14) 0.017(7) Uiso 0.149(8) d PD 2 H51C H 0.8489(15) 1.5838(14) -0.8569(14) 0.021 Uiso 0.149(8) calc PR 2 H51D H 0.8064(15) 1.5555(14) -0.9267(14) 0.021 Uiso 0.149(8) calc PR 2 Cl5' Cl 0.7263(8) 1.5011(7) -0.8523(8) 0.199(7) Uani 0.149(8) d PD 2 Cl6' Cl 0.8935(7) 1.4693(7) -0.8886(5) 0.053(5) Uani 0.149(8) d PD 2 C304 C 0.5352(10) 1.4969(9) 0.9648(11) 0.187(10) Uani 1 d D . C305 C 0.6251(6) 1.5149(4) 0.9786(4) 0.078(2) Uani 1 d D . C306 C 0.5427(21) 1.5069(29) 1.0088(19) 0.176(20) Uiso 0.50 d PD . 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 0.0238(2) 0.0233(2) 0.0227(2) 0.00421(15) 0.00307(15) 0.00046(15) P1 0.0203(6) 0.0230(6) 0.0235(6) 0.0036(5) 0.0023(5) 0.0018(5) C1 0.028(3) 0.029(3) 0.034(3) 0.010(2) 0.003(2) -0.007(2) O1 0.076(3) 0.049(3) 0.028(2) 0.001(2) -0.006(2) -0.018(2) O101 0.032(2) 0.033(2) 0.051(2) 0.015(2) 0.005(2) -0.001(2) O102 0.022(2) 0.025(2) 0.031(2) 0.0066(14) 0.0018(14) 0.0014(13) O103 0.021(2) 0.024(2) 0.027(2) 0.0070(13) 0.0054(13) 0.0034(13) O104 0.025(2) 0.026(2) 0.026(2) 0.0059(14) 0.0051(14) 0.0040(14) C101 0.023(3) 0.032(3) 0.042(3) 0.012(2) 0.002(2) 0.009(2) C102 0.017(2) 0.037(3) 0.049(3) 0.010(2) 0.000(2) 0.010(2) C103 0.026(3) 0.050(3) 0.038(3) 0.011(3) 0.002(2) 0.011(2) C104 0.026(3) 0.042(3) 0.055(4) 0.021(3) 0.003(2) 0.012(2) C105 0.027(3) 0.024(3) 0.057(4) 0.010(2) 0.002(2) 0.004(2) C106 0.024(3) 0.028(3) 0.044(3) 0.004(2) 0.006(2) 0.010(2) C107 0.030(3) 0.056(4) 0.071(4) 0.036(3) 0.001(3) 0.005(3) C108 0.098(7) 0.119(8) 0.163(10) 0.109(8) -0.048(7) -0.056(6) C109 0.088(6) 0.105(7) 0.123(8) 0.073(6) 0.055(6) 0.035(5) C110 0.054(4) 0.077(5) 0.122(7) 0.068(5) 0.028(4) 0.027(4) C111 0.026(3) 0.044(3) 0.048(3) 0.003(3) -0.008(2) 0.009(2) C112 0.027(3) 0.027(3) 0.029(3) 0.004(2) -0.006(2) -0.005(2) C113 0.033(3) 0.023(2) 0.033(3) 0.007(2) -0.002(2) 0.000(2) C114 0.042(3) 0.033(3) 0.039(3) 0.000(2) -0.007(3) 0.009(2) C115 0.056(4) 0.047(4) 0.046(4) -0.003(3) -0.026(3) 0.010(3) C116 0.038(3) 0.042(3) 0.053(4) -0.001(3) -0.021(3) 0.007(3) C117 0.032(3) 0.027(3) 0.040(3) 0.005(2) -0.007(2) 0.002(2) C118 0.113(7) 0.061(5) 0.061(5) -0.020(4) -0.052(5) 0.038(5) C119 0.175(17) 0.143(15) 0.062(8) 0.001(8) -0.034(9) -0.002(12) C120 0.159(15) 0.160(14) 0.073(8) -0.058(9) -0.085(10) 0.087(12) C121 0.129(11) 0.050(6) 0.049(6) -0.025(4) -0.034(6) 0.008(6) C122 0.028(3) 0.034(3) 0.029(3) 0.000(2) 0.000(2) 0.008(2) C123 0.017(2) 0.024(2) 0.029(3) 0.003(2) 0.002(2) 0.005(2) C124 0.014(2) 0.030(3) 0.030(3) 0.004(2) 0.005(2) 0.006(2) C125 0.030(3) 0.033(3) 0.030(3) 0.010(2) 0.005(2) 0.006(2) C126 0.028(3) 0.029(3) 0.042(3) 0.011(2) 0.003(2) 0.005(2) C127 0.028(3) 0.028(3) 0.039(3) -0.001(2) 0.000(2) 0.008(2) C128 0.017(2) 0.031(3) 0.029(3) 0.003(2) 0.002(2) 0.008(2) C129 0.051(4) 0.026(3) 0.053(4) 0.011(3) 0.002(3) 0.002(2) C130 0.063(5) 0.041(4) 0.092(6) 0.025(4) -0.002(4) -0.013(3) C131 0.103(6) 0.040(4) 0.060(4) 0.024(3) 0.010(4) 0.009(4) C132 0.074(5) 0.033(3) 0.073(5) 0.010(3) 0.003(4) 0.022(3) C133 0.025(3) 0.030(3) 0.024(2) 0.005(2) 0.000(2) 0.004(2) C134 0.029(3) 0.027(3) 0.022(2) 0.002(2) 0.006(2) 0.000(2) C135 0.026(3) 0.030(3) 0.031(3) 0.001(2) 0.002(2) 0.005(2) C136 0.029(3) 0.038(3) 0.039(3) -0.004(2) 0.013(2) 0.011(2) C137 0.032(3) 0.040(3) 0.035(3) 0.003(2) 0.009(2) 0.003(2) C138 0.031(3) 0.035(3) 0.029(3) 0.009(2) 0.006(2) 0.004(2) C139 0.023(2) 0.026(2) 0.023(2) 0.001(2) 0.002(2) 0.000(2) C140 0.056(4) 0.058(4) 0.045(4) 0.014(3) 0.024(3) 0.017(3) C141 0.107(7) 0.072(5) 0.087(6) 0.032(5) 0.065(5) 0.015(5) C142 0.083(6) 0.112(7) 0.058(5) 0.025(4) 0.047(4) 0.043(5) C143 0.081(5) 0.095(6) 0.034(3) 0.007(4) 0.020(3) 0.029(4) C144 0.044(3) 0.032(3) 0.039(3) 0.001(2) 0.007(3) 0.018(2) O105 0.029(2) 0.028(2) 0.024(2) 0.0028(14) 0.0041(14) 0.0007(15) O106 0.031(2) 0.032(2) 0.024(2) 0.0056(14) 0.0047(14) -0.004(2) C145 0.024(3) 0.025(3) 0.033(3) 0.001(2) 0.002(2) 0.008(2) C146 0.029(3) 0.025(3) 0.035(3) 0.003(2) 0.003(2) -0.002(2) C147 0.023(2) 0.022(2) 0.030(3) 0.005(2) 0.006(2) 0.005(2) C148 0.032(3) 0.034(3) 0.027(3) -0.001(2) 0.003(2) 0.002(2) C149 0.038(4) 0.094(6) 0.047(4) -0.031(4) -0.005(3) 0.007(3) C150 0.061(4) 0.044(3) 0.037(3) 0.001(3) 0.019(3) 0.011(3) C151 0.070(4) 0.050(4) 0.028(3) 0.003(3) -0.004(3) 0.003(3) C152 0.034(3) 0.032(3) 0.030(3) 0.009(2) 0.006(2) -0.003(2) C153 0.122(7) 0.055(4) 0.056(4) 0.015(4) 0.022(5) -0.031(5) C154 0.074(5) 0.083(5) 0.082(5) 0.040(4) 0.048(4) 0.035(4) C155 0.061(5) 0.122(7) 0.057(4) 0.051(5) -0.005(4) -0.023(5) Rh2 0.0290(2) 0.0211(2) 0.0255(2) 0.00645(15) 0.0016(2) 0.0005(2) C2 0.043(3) 0.029(3) 0.030(3) 0.011(2) 0.002(2) -0.005(2) O2 0.089(3) 0.025(2) 0.043(2) 0.004(2) 0.015(2) -0.001(2) P2 0.0238(6) 0.0205(6) 0.0253(6) 0.0051(5) 0.0014(5) 0.0023(5) O201 0.029(2) 0.030(2) 0.040(2) 0.009(2) 0.005(2) -0.0001(15) O202 0.028(2) 0.021(2) 0.027(2) 0.0068(13) 0.0013(14) 0.0001(13) O203 0.024(2) 0.030(2) 0.024(2) 0.0089(14) 0.0047(13) 0.0088(14) O204 0.020(2) 0.020(2) 0.032(2) 0.0040(14) 0.0018(14) 0.0027(13) C201 0.021(2) 0.032(3) 0.033(3) 0.008(2) -0.005(2) 0.000(2) C202 0.026(3) 0.022(2) 0.035(3) 0.006(2) -0.004(2) -0.003(2) C203 0.034(3) 0.024(3) 0.036(3) -0.002(2) -0.006(2) 0.004(2) C204 0.029(3) 0.024(3) 0.039(3) 0.008(2) -0.011(2) 0.000(2) C205 0.029(3) 0.020(2) 0.039(3) 0.010(2) -0.007(2) 0.002(2) C206 0.018(2) 0.025(2) 0.038(3) 0.001(2) -0.007(2) 0.002(2) C207 0.042(3) 0.032(3) 0.033(3) 0.008(2) -0.007(2) 0.000(2) C208 0.045(4) 0.080(5) 0.052(4) 0.030(4) -0.013(3) 0.000(3) C209 0.085(5) 0.044(4) 0.038(3) 0.011(3) 0.003(3) 0.007(3) C210 0.061(4) 0.043(3) 0.041(3) 0.016(3) -0.002(3) -0.006(3) C211 0.043(3) 0.023(3) 0.038(3) 0.004(2) -0.004(2) -0.002(2) C212 0.031(3) 0.021(2) 0.029(3) 0.007(2) 0.009(2) 0.005(2) C213 0.026(3) 0.023(2) 0.030(3) 0.008(2) 0.008(2) 0.007(2) C214 0.033(3) 0.029(3) 0.036(3) 0.012(2) 0.011(2) 0.009(2) C215 0.036(3) 0.023(2) 0.037(3) 0.009(2) 0.015(2) 0.008(2) C216 0.026(3) 0.027(3) 0.043(3) 0.009(2) 0.007(2) 0.001(2) C217 0.028(3) 0.021(2) 0.034(3) 0.006(2) 0.001(2) 0.004(2) C218 0.034(3) 0.031(3) 0.054(4) 0.021(3) 0.011(3) 0.005(2) C219 0.055(4) 0.059(4) 0.056(4) 0.024(3) 0.020(3) -0.002(3) C220 0.044(4) 0.035(3) 0.094(5) 0.030(3) 0.024(3) 0.012(3) C221 0.043(4) 0.039(3) 0.077(5) 0.026(3) 0.013(3) 0.000(3) C222 0.029(3) 0.024(2) 0.036(3) 0.011(2) 0.008(2) 0.006(2) C223 0.021(2) 0.031(3) 0.027(2) 0.007(2) 0.003(2) 0.010(2) C224 0.022(2) 0.034(3) 0.032(3) 0.004(2) -0.002(2) 0.008(2) C225 0.031(3) 0.039(3) 0.034(3) 0.000(2) -0.004(2) 0.013(2) C226 0.036(3) 0.048(3) 0.031(3) 0.008(2) 0.004(2) 0.019(3) C227 0.031(3) 0.040(3) 0.036(3) 0.012(2) 0.006(2) 0.014(2) C228 0.017(2) 0.033(3) 0.035(3) 0.008(2) 0.005(2) 0.007(2) C229 0.070(5) 0.079(5) 0.031(3) 0.010(3) 0.005(3) 0.035(4) C230 0.097(13) 0.125(17) 0.047(9) 0.013(9) 0.031(10) 0.060(13) C231 0.097(13) 0.089(11) 0.031(6) 0.032(7) 0.011(7) 0.021(9) C232 0.078(10) 0.075(9) 0.037(7) 0.006(6) -0.012(6) 0.013(7) C504 0.061(10) 0.091(13) 0.037(8) 0.022(8) 0.015(7) 0.013(9) C505 0.060(11) 0.092(13) 0.023(7) 0.012(7) 0.001(7) 0.036(10) C506 0.088(15) 0.110(17) 0.024(8) 0.004(9) 0.006(10) 0.033(14) C233 0.022(3) 0.031(3) 0.039(3) 0.004(2) -0.004(2) 0.002(2) C234 0.028(3) 0.021(2) 0.027(2) 0.002(2) 0.003(2) 0.005(2) C235 0.028(3) 0.024(2) 0.029(3) 0.004(2) 0.000(2) 0.005(2) C236 0.031(3) 0.030(3) 0.036(3) 0.003(2) 0.000(2) 0.009(2) C237 0.037(3) 0.026(3) 0.037(3) -0.001(2) -0.003(2) 0.007(2) C238 0.028(3) 0.028(3) 0.029(3) -0.001(2) -0.001(2) 0.001(2) C239 0.027(3) 0.025(2) 0.028(3) 0.002(2) -0.002(2) 0.004(2) C240 0.038(3) 0.024(3) 0.063(4) -0.007(3) -0.008(3) 0.006(2) C241 0.100(6) 0.041(4) 0.076(5) -0.021(4) 0.030(5) -0.004(4) C242 0.097(7) 0.022(3) 0.213(12) -0.021(5) -0.068(7) 0.026(4) C243 0.094(6) 0.034(4) 0.077(5) 0.013(3) 0.013(4) -0.005(4) C244 0.025(3) 0.028(3) 0.043(3) 0.002(2) -0.003(2) 0.006(2) O205 0.044(2) 0.030(2) 0.032(2) 0.009(2) 0.009(2) 0.002(2) O206 0.039(2) 0.025(2) 0.026(2) 0.0043(14) 0.004(2) 0.0020(15) C245 0.035(3) 0.038(3) 0.027(3) 0.012(2) 0.001(2) 0.002(2) C246 0.040(3) 0.034(3) 0.031(3) 0.002(2) 0.004(2) 0.005(2) C247 0.032(3) 0.030(3) 0.030(3) 0.005(2) -0.006(2) 0.005(2) C248 0.048(3) 0.039(3) 0.036(3) 0.019(2) 0.012(3) 0.008(3) C249 0.070(4) 0.052(4) 0.051(4) 0.038(3) 0.016(3) 0.013(3) C250 0.051(4) 0.071(5) 0.074(5) 0.038(4) 0.013(4) -0.006(3) C251 0.099(6) 0.069(5) 0.043(4) 0.025(3) 0.031(4) 0.013(4) C252 0.047(3) 0.026(3) 0.035(3) -0.003(2) -0.004(2) 0.001(2) C253 0.052(4) 0.034(3) 0.124(7) 0.000(4) 0.018(4) 0.014(3) C254 0.085(5) 0.041(4) 0.045(4) -0.003(3) -0.017(3) -0.008(3) C255 0.080(5) 0.033(3) 0.051(4) 0.009(3) 0.007(3) 0.005(3) C301 0.045(4) 0.077(6) 0.133(8) 0.026(5) -0.004(5) 0.001(4) Cl1 0.138(2) 0.072(2) 0.149(3) 0.019(2) 0.033(2) 0.021(2) Cl2 0.0752(14) 0.0722(14) 0.164(3) 0.046(2) 0.049(2) 0.0196(11) C302 0.044(4) 0.096(6) 0.055(4) 0.019(4) 0.003(3) 0.009(4) Cl3 0.075(3) 0.062(3) 0.098(5) 0.001(3) -0.003(3) 0.003(3) Cl4 0.071(4) 0.106(7) 0.106(6) 0.057(5) 0.035(4) 0.010(4) C510 0.044(4) 0.096(6) 0.055(4) 0.019(4) 0.003(3) 0.009(4) Cl3' 0.120(7) 0.138(8) 0.261(20) -0.094(9) -0.002(10) 0.061(6) Cl4' 0.061(5) 0.068(4) 0.173(13) 0.006(6) 0.049(7) 0.025(3) C303 0.186(12) 0.150(10) 0.275(17) -0.007(10) 0.112(12) 0.045(9) Cl5 0.514(26) 0.985(51) 0.428(22) 0.024(26) -0.229(20) -0.210(30) Cl6 0.508(26) 0.731(35) 0.546(26) 0.199(23) 0.047(20) -0.367(26) Cl5' 0.186(12) 0.150(10) 0.275(17) -0.007(10) 0.112(12) 0.045(9) Cl6' 0.044(7) 0.063(8) 0.052(7) -0.009(5) -0.002(5) 0.021(5) C304 0.141(14) 0.152(14) 0.308(28) 0.111(17) 0.148(17) 0.054(11) C305 0.073(6) 0.043(4) 0.113(7) -0.017(4) -0.006(5) 0.010(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 C1 1.817(5) . ? Rh1 O105 2.034(3) . ? Rh1 O106 2.063(3) . ? Rh1 P1 2.1842(13) . ? P1 O104 1.593(3) . ? P1 O103 1.611(3) . ? P1 O102 1.631(3) . ? C1 O1 1.152(6) . ? O101 C101 1.407(6) . ? O102 C112 1.428(6) . ? O103 C123 1.406(5) . ? O104 C134 1.407(5) . ? C101 C102 1.378(7) . ? C101 C106 1.380(7) . ? C102 C103 1.400(7) . ? C102 C111 1.520(8) . ? C103 C104 1.386(8) . ? C104 C105 1.396(8) . ? C104 C107 1.538(8) . ? C105 C106 1.393(7) . ? C106 C144 1.504(7) . ? C107 C108 1.461(10) . ? C107 C110 1.511(8) . ? C107 C109 1.564(11) . ? C111 C117 1.520(8) . ? C112 C113 1.405(7) . ? C112 C117 1.407(7) . ? C113 C114 1.385(7) . ? C113 C122 1.524(7) . ? C114 C115 1.395(8) . ? C115 C116 1.377(9) . ? C115 C118 1.534(9) . ? C116 C117 1.396(8) . ? C118 C501 1.37(3) . ? C118 C120 1.437(13) . ? C118 C121 1.461(12) . ? C118 C502 1.47(5) . ? C118 C503 1.50(6) . ? C118 C119 1.73(2) . ? C122 C128 1.512(7) . ? C123 C128 1.377(7) . ? C123 C124 1.388(6) . ? C124 C125 1.396(7) . ? C124 C133 1.512(7) . ? C125 C126 1.384(7) . ? C126 C127 1.407(7) . ? C126 C129 1.557(7) . ? C127 C128 1.391(7) . ? C129 C130 1.528(9) . ? C129 C131 1.530(9) . ? C129 C132 1.547(9) . ? C133 C139 1.517(6) . ? C134 C135 1.404(7) . ? C134 C139 1.404(7) . ? C135 C136 1.394(7) . ? C135 C144 1.523(7) . ? C136 C137 1.394(7) . ? C137 C138 1.396(7) . ? C137 C140 1.541(8) . ? C138 C139 1.400(7) . ? C140 C141 1.520(10) . ? C140 C142 1.522(9) . ? C140 C143 1.551(10) . ? O105 C145 1.286(6) . ? O106 C147 1.279(6) . ? C145 C146 1.401(7) . ? C145 C148 1.529(7) . ? C146 C147 1.400(7) . ? C147 C152 1.545(6) . ? C148 C149 1.526(8) . ? C148 C150 1.534(7) . ? C148 C151 1.538(8) . ? C152 C153 1.506(8) . ? C152 C155 1.510(8) . ? C152 C154 1.528(8) . ? Rh2 C2 1.814(6) . ? Rh2 O206 2.042(3) . ? Rh2 O205 2.059(3) . ? Rh2 P2 2.1855(13) . ? C2 O2 1.155(6) . ? P2 O202 1.596(3) . ? P2 O203 1.615(3) . ? P2 O204 1.616(3) . ? O201 C201 1.385(6) . ? O202 C212 1.410(5) . ? O203 C223 1.400(5) . ? O204 C234 1.427(5) . ? C201 C202 1.386(7) . ? C201 C206 1.401(7) . ? C202 C203 1.403(7) . ? C202 C211 1.512(7) . ? C203 C204 1.388(7) . ? C204 C205 1.398(7) . ? C204 C207 1.538(7) . ? C205 C206 1.386(7) . ? C206 C244 1.517(7) . ? C207 C210 1.528(8) . ? C207 C209 1.533(8) . ? C207 C208 1.543(8) . ? C211 C217 1.527(7) . ? C212 C217 1.396(7) . ? C212 C213 1.413(6) . ? C213 C214 1.395(7) . ? C213 C222 1.523(7) . ? C214 C215 1.395(7) . ? C215 C216 1.390(7) . ? C215 C218 1.543(7) . ? C216 C217 1.407(7) . ? C218 C219 1.508(9) . ? C218 C221 1.523(8) . ? C218 C220 1.550(8) . ? C222 C228 1.515(7) . ? C223 C228 1.378(7) . ? C223 C224 1.382(7) . ? C224 C225 1.396(7) . ? C224 C233 1.511(7) . ? C225 C226 1.400(8) . ? C226 C227 1.400(8) . ? C226 C229 1.536(8) . ? C227 C228 1.395(7) . ? C229 C231 1.454(15) . ? C229 C506 1.47(2) . ? C229 C230 1.47(2) . ? C229 C505 1.50(2) . ? C229 C232 1.680(15) . ? C229 C504 1.70(2) . ? C233 C239 1.528(7) . ? C234 C235 1.397(7) . ? C234 C239 1.401(7) . ? C235 C236 1.397(7) . ? C235 C244 1.521(7) . ? C236 C237 1.389(7) . ? C237 C238 1.398(7) . ? C237 C240 1.535(7) . ? C238 C239 1.395(7) . ? C240 C242 1.525(9) . ? C240 C241 1.534(9) . ? C240 C243 1.539(9) . ? O205 C245 1.268(6) . ? O206 C247 1.268(6) . ? C245 C246 1.399(7) . ? C245 C248 1.554(7) . ? C246 C247 1.406(7) . ? C247 C252 1.547(7) . ? C248 C250 1.523(9) . ? C248 C251 1.529(9) . ? C248 C249 1.540(8) . ? C252 C255 1.526(8) . ? C252 C254 1.530(8) . ? C252 C253 1.531(8) . ? C301 Cl1 1.689(9) . ? C301 Cl2 1.753(10) . ? C302 Cl3 1.653(11) . ? C302 Cl4 1.756(13) . ? C510 Cl4' 1.68(2) . ? C510 Cl3' 1.84(2) . ? C303 Cl6 1.68(2) . ? C303 Cl5 2.02(2) . ? Cl5 Cl6 2.35(2) . ? C511 Cl5' 1.74(2) . ? C511 Cl6' 1.78(2) . ? C304 C306 0.94(4) . ? C304 C305 1.38(2) . ? C304 C304 1.90(3) 2_687 ? C305 C306 1.45(3) . ? C306 C306 1.33(7) 2_687 ? 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 C1 Rh1 O105 175.8(2) . . ? C1 Rh1 O106 89.4(2) . . ? O105 Rh1 O106 88.70(13) . . ? C1 Rh1 P1 93.05(15) . . ? O105 Rh1 P1 89.36(10) . . ? O106 Rh1 P1 171.88(10) . . ? O104 P1 O103 104.5(2) . . ? O104 P1 O102 102.7(2) . . ? O103 P1 O102 101.2(2) . . ? O104 P1 Rh1 112.31(13) . . ? O103 P1 Rh1 108.28(12) . . ? O102 P1 Rh1 125.58(13) . . ? O1 C1 Rh1 172.7(4) . . ? C112 O102 P1 124.1(3) . . ? C123 O103 P1 123.0(3) . . ? C134 O104 P1 141.6(3) . . ? C102 C101 C106 122.0(5) . . ? C102 C101 O101 120.7(5) . . ? C106 C101 O101 117.2(5) . . ? C101 C102 C103 118.0(5) . . ? C101 C102 C111 120.7(5) . . ? C103 C102 C111 121.3(5) . . ? C104 C103 C102 122.6(5) . . ? C103 C104 C105 116.5(5) . . ? C103 C104 C107 121.8(5) . . ? C105 C104 C107 121.7(5) . . ? C106 C105 C104 122.8(5) . . ? C101 C106 C105 117.9(5) . . ? C101 C106 C144 121.2(5) . . ? C105 C106 C144 120.9(5) . . ? C108 C107 C110 114.9(7) . . ? C108 C107 C104 112.6(5) . . ? C110 C107 C104 109.4(5) . . ? C108 C107 C109 105.2(7) . . ? C110 C107 C109 104.6(6) . . ? C104 C107 C109 109.7(6) . . ? C102 C111 C117 117.8(4) . . ? C113 C112 C117 121.1(5) . . ? C113 C112 O102 121.8(4) . . ? C117 C112 O102 117.0(4) . . ? C114 C113 C112 117.6(5) . . ? C114 C113 C122 116.0(5) . . ? C112 C113 C122 126.4(4) . . ? C113 C114 C115 123.7(5) . . ? C116 C115 C114 116.4(5) . . ? C116 C115 C118 122.8(5) . . ? C114 C115 C118 120.9(6) . . ? C115 C116 C117 123.7(5) . . ? C116 C117 C112 117.4(5) . . ? C116 C117 C111 116.9(5) . . ? C112 C117 C111 125.6(5) . . ? C501 C118 C120 51.7(9) . . ? C501 C118 C121 129.1(15) . . ? C120 C118 C121 121.2(9) . . ? C501 C118 C502 127.9(26) . . ? C120 C118 C502 80.4(22) . . ? C121 C118 C502 56.4(15) . . ? C501 C118 C503 92.2(20) . . ? C120 C118 C503 129.2(30) . . ? C121 C118 C503 51.2(9) . . ? C502 C118 C503 106.7(20) . . ? C501 C118 C115 111.2(15) . . ? C120 C118 C115 114.6(7) . . ? C121 C118 C115 114.5(6) . . ? C502 C118 C115 106.2(25) . . ? C503 C118 C115 111.3(31) . . ? C501 C118 C119 49.4(9) . . ? C120 C118 C119 99.7(10) . . ? C121 C118 C119 97.6(9) . . ? C502 C118 C119 146.3(22) . . ? C503 C118 C119 47.6(9) . . ? C115 C118 C119 104.3(7) . . ? C128 C122 C113 117.8(4) . . ? C128 C123 C124 123.6(4) . . ? C128 C123 O103 117.8(4) . . ? C124 C123 O103 118.5(4) . . ? C123 C124 C125 116.8(4) . . ? C123 C124 C133 119.2(4) . . ? C125 C124 C133 124.0(4) . . ? C126 C125 C124 122.4(5) . . ? C125 C126 C127 118.1(5) . . ? C125 C126 C129 122.8(5) . . ? C127 C126 C129 119.1(5) . . ? C128 C127 C126 121.2(5) . . ? C123 C128 C127 117.8(4) . . ? C123 C128 C122 118.9(4) . . ? C127 C128 C122 123.2(4) . . ? C130 C129 C131 109.7(6) . . ? C130 C129 C132 109.5(6) . . ? C131 C129 C132 108.5(5) . . ? C130 C129 C126 109.7(5) . . ? C131 C129 C126 111.7(5) . . ? C132 C129 C126 107.7(5) . . ? C124 C133 C139 113.1(4) . . ? C135 C134 C139 121.1(4) . . ? C135 C134 O104 116.2(4) . . ? C139 C134 O104 122.2(4) . . ? C136 C135 C134 118.0(4) . . ? C136 C135 C144 117.1(4) . . ? C134 C135 C144 124.6(4) . . ? C135 C136 C137 123.0(5) . . ? C136 C137 C138 116.8(5) . . ? C136 C137 C140 123.1(5) . . ? C138 C137 C140 120.0(5) . . ? C137 C138 C139 123.0(5) . . ? C138 C139 C134 117.7(4) . . ? C138 C139 C133 117.4(4) . . ? C134 C139 C133 124.8(4) . . ? C141 C140 C142 108.7(6) . . ? C141 C140 C137 110.5(5) . . ? C142 C140 C137 111.4(5) . . ? C141 C140 C143 109.2(6) . . ? C142 C140 C143 108.1(6) . . ? C137 C140 C143 108.8(5) . . ? C106 C144 C135 119.3(4) . . ? C145 O105 Rh1 127.9(3) . . ? C147 O106 Rh1 127.2(3) . . ? O105 C145 C146 124.7(4) . . ? O105 C145 C148 115.3(4) . . ? C146 C145 C148 120.1(4) . . ? C147 C146 C145 126.6(5) . . ? O106 C147 C146 124.9(4) . . ? O106 C147 C152 114.2(4) . . ? C146 C147 C152 120.9(4) . . ? C149 C148 C145 110.8(4) . . ? C149 C148 C150 109.9(5) . . ? C145 C148 C150 108.2(4) . . ? C149 C148 C151 109.6(5) . . ? C145 C148 C151 109.7(4) . . ? C150 C148 C151 108.6(5) . . ? C153 C152 C155 110.4(6) . . ? C153 C152 C154 108.9(6) . . ? C155 C152 C154 108.1(6) . . ? C153 C152 C147 113.5(5) . . ? C155 C152 C147 109.4(4) . . ? C154 C152 C147 106.3(4) . . ? C2 Rh2 O206 176.9(2) . . ? C2 Rh2 O205 88.4(2) . . ? O206 Rh2 O205 88.60(13) . . ? C2 Rh2 P2 93.6(2) . . ? O206 Rh2 P2 89.25(10) . . ? O205 Rh2 P2 172.88(11) . . ? O2 C2 Rh2 173.4(5) . . ? O202 P2 O203 104.6(2) . . ? O202 P2 O204 103.1(2) . . ? O203 P2 O204 101.2(2) . . ? O202 P2 Rh2 112.11(13) . . ? O203 P2 Rh2 107.77(13) . . ? O204 P2 Rh2 125.80(12) . . ? C212 O202 P2 141.9(3) . . ? C223 O203 P2 121.7(3) . . ? C234 O204 P2 125.3(3) . . ? O201 C201 C202 121.7(4) . . ? O201 C201 C206 118.1(5) . . ? C202 C201 C206 120.1(5) . . ? C201 C202 C203 119.1(4) . . ? C201 C202 C211 121.0(4) . . ? C203 C202 C211 119.9(5) . . ? C204 C203 C202 122.2(5) . . ? C203 C204 C205 116.7(5) . . ? C203 C204 C207 121.5(5) . . ? C205 C204 C207 121.8(4) . . ? C206 C205 C204 122.7(4) . . ? C205 C206 C201 118.8(5) . . ? C205 C206 C244 121.8(4) . . ? C201 C206 C244 119.5(5) . . ? C210 C207 C209 106.7(5) . . ? C210 C207 C204 112.1(4) . . ? C209 C207 C204 111.3(4) . . ? C210 C207 C208 109.0(5) . . ? C209 C207 C208 109.4(5) . . ? C204 C207 C208 108.3(5) . . ? C202 C211 C217 118.0(4) . . ? C217 C212 O202 116.1(4) . . ? C217 C212 C213 121.0(4) . . ? O202 C212 C213 122.4(4) . . ? C214 C213 C212 117.4(4) . . ? C214 C213 C222 117.4(4) . . ? C212 C213 C222 125.1(4) . . ? C215 C214 C213 123.7(5) . . ? C216 C215 C214 116.7(4) . . ? C216 C215 C218 122.6(5) . . ? C214 C215 C218 120.7(5) . . ? C215 C216 C217 122.7(5) . . ? C212 C217 C216 118.3(4) . . ? C212 C217 C211 125.1(4) . . ? C216 C217 C211 116.3(4) . . ? C219 C218 C221 110.1(5) . . ? C219 C218 C215 109.1(5) . . ? C221 C218 C215 111.6(5) . . ? C219 C218 C220 109.4(5) . . ? C221 C218 C220 107.2(5) . . ? C215 C218 C220 109.4(4) . . ? C228 C222 C213 114.9(4) . . ? C228 C223 C224 123.5(5) . . ? C228 C223 O203 118.9(4) . . ? C224 C223 O203 117.4(4) . . ? C223 C224 C225 117.1(5) . . ? C223 C224 C233 119.5(4) . . ? C225 C224 C233 123.3(5) . . ? C224 C225 C226 122.3(5) . . ? C227 C226 C225 117.3(5) . . ? C227 C226 C229 121.7(5) . . ? C225 C226 C229 121.0(5) . . ? C228 C227 C226 122.0(5) . . ? C223 C228 C227 117.6(5) . . ? C223 C228 C222 118.7(4) . . ? C227 C228 C222 123.6(4) . . ? C231 C229 C230 115.9(11) . . ? C506 C229 C505 116.5(12) . . ? C231 C229 C226 114.6(7) . . ? C506 C229 C226 116.6(9) . . ? C230 C229 C226 110.1(8) . . ? C505 C229 C226 110.3(7) . . ? C231 C229 C232 105.4(9) . . ? C230 C229 C232 105.5(12) . . ? C226 C229 C232 104.1(6) . . ? C506 C229 C504 102.0(12) . . ? C505 C229 C504 103.6(11) . . ? C226 C229 C504 106.0(7) . . ? C224 C233 C239 115.9(4) . . ? C235 C234 C239 120.8(4) . . ? C235 C234 O204 117.4(4) . . ? C239 C234 O204 121.7(4) . . ? C234 C235 C236 118.2(4) . . ? C234 C235 C244 124.6(4) . . ? C236 C235 C244 117.0(4) . . ? C237 C236 C235 123.3(5) . . ? C236 C237 C238 116.3(5) . . ? C236 C237 C240 123.7(5) . . ? C238 C237 C240 119.9(5) . . ? C239 C238 C237 123.1(5) . . ? C238 C239 C234 118.2(4) . . ? C238 C239 C233 116.0(4) . . ? C234 C239 C233 125.8(4) . . ? C242 C240 C241 109.5(7) . . ? C242 C240 C237 111.5(5) . . ? C241 C240 C237 108.6(5) . . ? C242 C240 C243 109.1(6) . . ? C241 C240 C243 108.6(5) . . ? C237 C240 C243 109.4(5) . . ? C206 C244 C235 115.9(4) . . ? C245 O205 Rh2 126.9(3) . . ? C247 O206 Rh2 127.5(3) . . ? O205 C245 C246 125.7(5) . . ? O205 C245 C248 113.9(5) . . ? C246 C245 C248 120.4(5) . . ? C245 C246 C247 125.6(5) . . ? O206 C247 C246 125.4(5) . . ? O206 C247 C252 115.5(4) . . ? C246 C247 C252 119.1(5) . . ? C250 C248 C251 109.6(6) . . ? C250 C248 C249 109.5(5) . . ? C251 C248 C249 108.5(5) . . ? C250 C248 C245 107.2(5) . . ? C251 C248 C245 114.0(5) . . ? C249 C248 C245 107.9(5) . . ? C255 C252 C254 108.7(5) . . ? C255 C252 C253 108.9(5) . . ? C254 C252 C253 110.4(6) . . ? C255 C252 C247 109.4(5) . . ? C254 C252 C247 108.7(4) . . ? C253 C252 C247 110.7(5) . . ? Cl1 C301 Cl2 113.6(5) . . ? Cl3 C302 Cl4 113.9(6) . . ? Cl4' C510 Cl3' 111.2(7) . . ? Cl6 C303 Cl5 78.3(10) . . ? C303 Cl5 Cl6 44.5(8) . . ? C303 Cl6 Cl5 57.2(6) . . ? Cl5' C511 Cl6' 106.6(14) . . ? C306 C304 C305 74.4(25) . . ? C306 C304 C304 41.1(21) . 2_687 ? C305 C304 C304 115.4(22) . 2_687 ? C304 C305 C306 38.6(18) . . ? C304 C306 C306 70.6(38) . 2_687 ? C304 C306 C305 67.0(21) . . ? C306 C306 C305 137.5(47) 2_687 . ? _refine_diff_density_max 1.351 _refine_diff_density_min -0.831 _refine_diff_density_rms 0.095 data_3 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C93 H109 Cl11 O10 P2 Rh2' _chemical_formula_weight 2044.51 _chemical_melting_point ? _chemical_compound_source ? 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' '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 Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 13.773(5) _cell_length_b 14.778(7) _cell_length_c 24.121(20) _cell_angle_alpha 86.31(5) _cell_angle_beta 89.32(4) _cell_angle_gamma 77.30(5) _cell_volume 4779.7(48) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.421 _exptl_crystal_density_method ? _exptl_crystal_F_000 2108 _exptl_absorpt_coefficient_mu 0.741 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _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 'Siemens SMART CCD diffractometer' _diffrn_measurement_method '\w rotation with narrow frames' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 17921 _diffrn_reflns_av_R_equivalents 0.1323 _diffrn_reflns_av_sigmaI/netI 0.1937 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 2.41 _diffrn_reflns_theta_max 22.50 _reflns_number_total 12068 _reflns_number_observed 6659 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'SMART (Siemens, 1995b)' _computing_cell_refinement 'SMART (Siemens, 1995b)' _computing_data_reduction 'SMART (Siemens, 1995b)' _computing_structure_solution 'SHELXTL (Siemens, 1995a)' _computing_structure_refinement 'SHELXTL (Siemens, 1995a)' _computing_molecular_graphics 'SHELXTL (Siemens, 1995a)' _computing_publication_material 'SHELXTL (Siemens, 1995a)' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 557 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.1000P)^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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 11511 _refine_ls_number_parameters 724 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.2510 _refine_ls_R_factor_obs 0.1448 _refine_ls_wR_factor_all 0.3620 _refine_ls_wR_factor_obs 0.2836 _refine_ls_goodness_of_fit_all 1.537 _refine_ls_goodness_of_fit_obs 1.742 _refine_ls_restrained_S_all 1.637 _refine_ls_restrained_S_obs 1.742 _refine_ls_shift/esd_max -0.144 _refine_ls_shift/esd_mean 0.009 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Rh1 Rh 0.42197(11) -0.21469(11) 0.77989(7) 0.0269(5) Uani 1 d . . Rh2 Rh 0.26128(11) -0.07660(10) 0.70569(7) 0.0261(5) Uani 1 d . . Cl1 Cl 0.4098(4) -0.0562(3) 0.7483(2) 0.0408(14) Uani 1 d . . Cl2 Cl 0.2454(3) -0.1680(3) 0.7897(2) 0.0324(13) Uani 1 d . . P1 P 0.4279(3) -0.3606(3) 0.7996(2) 0.0245(12) Uani 1 d . . P2 P 0.1164(3) -0.0941(3) 0.6791(2) 0.0231(12) Uani 1 d . . C1 C 0.5578(15) -0.2469(13) 0.7671(8) 0.032(5) Uiso 1 d . . C2 C 0.2843(14) -0.0102(14) 0.6459(9) 0.031(5) Uiso 1 d . . C3 C 0.1587(27) -1.0339(23) 0.9043(12) 0.117(14) Uani 1 d . . H3A H 0.2095(27) -1.0802(23) 0.8848(12) 0.140 Uiso 1 calc R . C4 C -0.3011(16) 0.3798(14) 0.5293(9) 0.046(6) Uani 1 d . . H4A H -0.3197(16) 0.3361(14) 0.5035(9) 0.055 Uiso 1 calc R . C5 C 0.3627(21) -0.6712(19) 0.9486(11) 0.079(9) Uani 1 d . . H5A H 0.3884(21) -0.6910(19) 0.9871(11) 0.095 Uiso 1 calc R . C101 C 0.5296(13) -0.3863(13) 0.9305(8) 0.027(5) Uiso 1 d . . C102 C 0.4515(15) -0.3095(14) 0.9419(9) 0.040(6) Uiso 1 d . . C103 C 0.4648(15) -0.2200(14) 0.9320(8) 0.035(5) Uiso 1 d . . H10A H 0.4112(15) -0.1699(14) 0.9397(8) 0.042 Uiso 1 calc R . C104 C 0.5538(14) -0.1990(13) 0.9109(8) 0.032(5) Uiso 1 d . . C105 C 0.6255(15) -0.2784(13) 0.8974(8) 0.037(5) Uiso 1 d . . H10B H 0.6857(15) -0.2693(13) 0.8807(8) 0.044 Uiso 1 calc R . C106 C 0.6136(12) -0.3693(12) 0.9071(7) 0.020(4) Uiso 1 d . . C107 C 0.5696(17) -0.1008(16) 0.9050(10) 0.050(6) Uiso 1 d . . C108 C 0.4725(18) -0.0276(15) 0.9000(12) 0.076(9) Uani 1 d . . H10C H 0.4873(18) 0.0344(15) 0.8963(12) 0.113 Uiso 1 calc R . H10D H 0.4322(18) -0.0328(15) 0.9333(12) 0.113 Uiso 1 calc R . H10E H 0.4358(18) -0.0374(15) 0.8672(12) 0.113 Uiso 1 calc R . C109 C 0.6331(19) -0.0866(15) 0.8524(10) 0.069(8) Uani 1 d . . H10F H 0.6425(19) -0.0226(15) 0.8494(10) 0.103 Uiso 1 calc R . H10G H 0.5987(19) -0.0984(15) 0.8192(10) 0.103 Uiso 1 calc R . H10H H 0.6982(19) -0.1299(15) 0.8556(10) 0.103 Uiso 1 calc R . C110 C 0.6215(18) -0.0839(17) 0.9579(10) 0.065(8) Uani 1 d . . H11A H 0.6328(18) -0.0206(17) 0.9553(10) 0.097 Uiso 1 calc R . H11B H 0.6855(18) -0.1286(17) 0.9621(10) 0.097 Uiso 1 calc R . H11C H 0.5795(18) -0.0917(17) 0.9901(10) 0.097 Uiso 1 calc R . C111 C 0.3562(14) -0.3282(14) 0.9664(8) 0.039(6) Uiso 1 d . . H11D H 0.3296(14) -0.2782(14) 0.9915(8) 0.047 Uiso 1 calc R . H11E H 0.3735(14) -0.3870(14) 0.9898(8) 0.047 Uiso 1 calc R . C112 C 0.2750(13) -0.3638(12) 0.8737(8) 0.025(5) Uiso 1 d . . C113 C 0.1921(13) -0.3712(12) 0.8452(7) 0.023(4) Uiso 1 d . . C114 C 0.1012(15) -0.3474(13) 0.8692(8) 0.037(5) Uiso 1 d . . H11E H 0.0435(15) -0.3479(13) 0.8481(8) 0.044 Uiso 1 calc R . C115 C 0.0906(14) -0.3221(13) 0.9244(8) 0.034(5) Uiso 1 d . . C116 C 0.1789(15) -0.3128(14) 0.9515(9) 0.047(6) Uiso 1 d . . H11F H 0.1740(15) -0.2900(14) 0.9876(9) 0.056 Uiso 1 calc R . C117 C 0.2708(13) -0.3358(12) 0.9272(7) 0.024(5) Uiso 1 d . . C118 C -0.0149(21) -0.3044(20) 0.9564(12) 0.082(9) Uiso 1 d . . C119 C -0.0104(42) -0.2778(43) 1.0153(23) 0.083(18) Uiso 0.50 d P 1 H11G H 0.0336(42) -0.3283(43) 1.0372(23) 0.100 Uiso 0.50 calc PR 1 H11H H -0.0774(42) -0.2667(43) 1.0314(23) 0.100 Uiso 0.50 calc PR 1 H11I H 0.0154(42) -0.2211(43) 1.0158(23) 0.100 Uiso 0.50 calc PR 1 C120 C -0.0564(39) -0.4010(36) 0.9532(23) 0.074(16) Uiso 0.50 d P 1 H12A H -0.0585(39) -0.4162(36) 0.9143(23) 0.088 Uiso 0.50 calc PR 1 H12B H -0.1235(39) -0.3919(36) 0.9690(23) 0.088 Uiso 0.50 calc PR 1 H12C H -0.0119(39) -0.4521(36) 0.9743(23) 0.088 Uiso 0.50 calc PR 1 C121 C -0.0852(38) -0.2262(35) 0.9174(22) 0.074(16) Uiso 0.50 d P 1 H12D H -0.0851(38) -0.2473(35) 0.8797(22) 0.089 Uiso 0.50 calc PR 1 H12E H -0.0605(38) -0.1687(35) 0.9164(22) 0.089 Uiso 0.50 calc PR 1 H12F H -0.1532(38) -0.2144(35) 0.9320(22) 0.089 Uiso 0.50 calc PR 1 C919 C -0.0897(29) -0.3364(29) 0.9256(17) 0.036(11) Uiso 0.50 d P 2 H91A H -0.0639(29) -0.4011(29) 0.9168(17) 0.043 Uiso 0.50 calc PR 2 H91B H -0.1057(29) -0.2974(29) 0.8911(17) 0.043 Uiso 0.50 calc PR 2 H91C H -0.1500(29) -0.3323(29) 0.9481(17) 0.043 Uiso 0.50 calc PR 2 C920 C -0.0339(32) -0.2120(29) 0.9743(19) 0.046(12) Uiso 0.50 d P 2 H92A H 0.0243(32) -0.2028(29) 0.9943(19) 0.055 Uiso 0.50 calc PR 2 H92B H -0.0918(32) -0.2023(29) 0.9990(19) 0.055 Uiso 0.50 calc PR 2 H92C H -0.0474(32) -0.1676(29) 0.9419(19) 0.055 Uiso 0.50 calc PR 2 C921 C 0.0040(32) -0.3590(31) 1.0137(18) 0.048(12) Uiso 0.50 d P 2 H92D H 0.0187(32) -0.4259(31) 1.0084(18) 0.057 Uiso 0.50 calc PR 2 H92E H -0.0553(32) -0.3428(31) 1.0369(18) 0.057 Uiso 0.50 calc PR 2 H92F H 0.0607(32) -0.3430(31) 1.0319(18) 0.057 Uiso 0.50 calc PR 2 C122 C 0.1900(13) -0.3940(12) 0.7842(7) 0.023(4) Uiso 1 d . . H12G H 0.1207(13) -0.3949(12) 0.7741(7) 0.027 Uiso 1 calc R . H12H H 0.2100(13) -0.3438(12) 0.7608(7) 0.027 Uiso 1 calc R . C123 C 0.3543(13) -0.4872(13) 0.7562(8) 0.026(5) Uiso 1 d . . C124 C 0.4154(13) -0.5682(13) 0.7421(8) 0.027(5) Uiso 1 d . . C125 C 0.3810(13) -0.6494(13) 0.7436(8) 0.029(5) Uiso 1 d . . H12I H 0.4250(13) -0.7048(13) 0.7334(8) 0.034 Uiso 1 calc R . C126 C 0.2848(13) -0.6529(12) 0.7594(8) 0.025(5) Uiso 1 d . . C127 C 0.2237(14) -0.5677(12) 0.7735(7) 0.026(5) Uiso 1 d . . H12J H 0.1573(14) -0.5673(12) 0.7850(7) 0.031 Uiso 1 calc R . C128 C 0.2554(13) -0.4838(12) 0.7716(8) 0.026(5) Uiso 1 d . . C129 C 0.2483(16) -0.7378(15) 0.7580(9) 0.046(6) Uiso 1 d . . C130 C 0.1458(13) -0.7352(15) 0.7856(9) 0.049(7) Uani 1 d . . H13A H 0.1275(13) -0.7951(15) 0.7826(9) 0.074 Uiso 1 calc R . H13B H 0.0954(13) -0.6858(15) 0.7668(9) 0.074 Uiso 1 calc R . H13C H 0.1494(13) -0.7229(15) 0.8249(9) 0.074 Uiso 1 calc R . C131 C 0.3206(18) -0.8226(15) 0.7887(12) 0.076(9) Uani 1 d . . H13D H 0.2936(18) -0.8784(15) 0.7869(12) 0.115 Uiso 1 calc R . H13E H 0.3274(18) -0.8098(15) 0.8277(12) 0.115 Uiso 1 calc R . H13F H 0.3860(18) -0.8326(15) 0.7708(12) 0.115 Uiso 1 calc R . C132 C 0.2389(19) -0.7646(18) 0.6988(10) 0.071(8) Uani 1 d . . H13G H 0.2142(19) -0.8219(18) 0.6993(10) 0.107 Uiso 1 calc R . H13H H 0.3042(19) -0.7744(18) 0.6808(10) 0.107 Uiso 1 calc R . H13I H 0.1922(19) -0.7146(18) 0.6780(10) 0.107 Uiso 1 calc R . C133 C 0.5257(13) -0.5651(13) 0.7274(8) 0.032(5) Uiso 1 d . . H13J H 0.5535(13) -0.6151(13) 0.7025(8) 0.039 Uiso 1 calc R . H13K H 0.5278(13) -0.5048(13) 0.7076(8) 0.039 Uiso 1 calc R . C134 C 0.5967(13) -0.5130(13) 0.8159(8) 0.027(5) Uiso 1 d . . C135 C 0.6666(13) -0.5245(13) 0.8573(8) 0.028(5) Uiso 1 d . . C136 C 0.7270(13) -0.6147(12) 0.8669(8) 0.025(5) Uiso 1 d . . H13L H 0.7745(13) -0.6264(12) 0.8962(8) 0.030 Uiso 1 calc R . C137 C 0.7178(14) -0.6882(13) 0.8334(8) 0.029(5) Uiso 1 d . . C138 C 0.6500(13) -0.6687(13) 0.7916(8) 0.028(5) Uiso 1 d . . H13M H 0.6429(13) -0.7171(13) 0.7690(8) 0.034 Uiso 1 calc R . C139 C 0.5885(12) -0.5778(12) 0.7803(7) 0.021(4) Uiso 1 d . . C140 C 0.7901(15) -0.7852(14) 0.8438(9) 0.038(5) Uiso 1 d . . C141 C 0.8495(37) -0.7930(33) 0.8970(20) 0.062(14) Uiso 0.50 d P 1 H14A H 0.8042(37) -0.7735(33) 0.9278(20) 0.074 Uiso 0.50 calc PR 1 H14B H 0.8975(37) -0.7530(33) 0.8930(20) 0.074 Uiso 0.50 calc PR 1 H14C H 0.8850(37) -0.8577(33) 0.9048(20) 0.074 Uiso 0.50 calc PR 1 C142 C 0.8402(53) -0.8107(48) 0.7945(28) 0.117(24) Uiso 0.50 d P 1 H14D H 0.8831(53) -0.7675(48) 0.7842(28) 0.141 Uiso 0.50 calc PR 1 H14E H 0.7916(53) -0.8085(48) 0.7648(28) 0.141 Uiso 0.50 calc PR 1 H14F H 0.8809(53) -0.8739(48) 0.7999(28) 0.141 Uiso 0.50 calc PR 1 C143 C 0.7302(48) -0.8542(44) 0.8542(30) 0.113(23) Uiso 0.50 d P 1 H14G H 0.6919(48) -0.8415(44) 0.8884(30) 0.135 Uiso 0.50 calc PR 1 H14H H 0.7739(48) -0.9163(44) 0.8582(30) 0.135 Uiso 0.50 calc PR 1 H14I H 0.6845(48) -0.8513(44) 0.8230(30) 0.135 Uiso 0.50 calc PR 1 C941 C 0.7565(24) -0.8610(22) 0.8091(14) 0.014(8) Uiso 0.50 d P 2 H94A H 0.7592(24) -0.8435(22) 0.7693(14) 0.017 Uiso 0.50 calc PR 2 H94B H 0.6883(24) -0.8647(22) 0.8192(14) 0.017 Uiso 0.50 calc PR 2 H94C H 0.8013(24) -0.9217(22) 0.8173(14) 0.017 Uiso 0.50 calc PR 2 C942 C 0.7822(30) -0.8205(27) 0.9012(16) 0.034(10) Uiso 0.50 d P 2 H94D H 0.8278(30) -0.8813(27) 0.9072(16) 0.041 Uiso 0.50 calc PR 2 H94E H 0.7138(30) -0.8268(27) 0.9086(16) 0.041 Uiso 0.50 calc PR 2 H94F H 0.7998(30) -0.7771(27) 0.9264(16) 0.041 Uiso 0.50 calc PR 2 C943 C 0.8971(38) -0.7739(37) 0.8222(23) 0.073(16) Uiso 0.50 d P 2 H94G H 0.8921(38) -0.7498(37) 0.7833(23) 0.088 Uiso 0.50 calc PR 2 H94H H 0.9438(38) -0.8346(37) 0.8252(23) 0.088 Uiso 0.50 calc PR 2 H94I H 0.9211(38) -0.7306(37) 0.8448(23) 0.088 Uiso 0.50 calc PR 2 C144 C 0.6943(13) -0.4482(12) 0.8882(8) 0.030(5) Uiso 1 d . . H14J H 0.7403(13) -0.4204(12) 0.8643(8) 0.036 Uiso 1 calc R . H14K H 0.7324(13) -0.4778(12) 0.9216(8) 0.036 Uiso 1 calc R . C201 C 0.1655(13) -0.2237(12) 0.5636(7) 0.021(4) Uiso 1 d . . C202 C 0.2044(14) -0.1550(13) 0.5391(8) 0.034(5) Uiso 1 d . . C203 C 0.3066(13) -0.1602(13) 0.5419(8) 0.027(5) Uiso 1 d . . H20A H 0.3342(13) -0.1145(13) 0.5217(8) 0.033 Uiso 1 calc R . C204 C 0.3705(13) -0.2327(12) 0.5744(7) 0.024(5) Uiso 1 d . . C205 C 0.3268(14) -0.2938(13) 0.6034(8) 0.033(5) Uiso 1 d . . H20B H 0.3669(14) -0.3394(13) 0.6280(8) 0.039 Uiso 1 calc R . C206 C 0.2228(14) -0.2937(13) 0.5993(8) 0.028(5) Uiso 1 d . . C207 C 0.4838(14) -0.2410(13) 0.5767(8) 0.033(5) Uiso 1 d . . C208 C 0.5333(17) -0.3274(17) 0.5513(13) 0.086(10) Uani 1 d . . H20C H 0.5071(17) -0.3274(17) 0.5137(13) 0.129 Uiso 1 calc R . H20D H 0.5203(17) -0.3811(17) 0.5738(13) 0.129 Uiso 1 calc R . H20E H 0.6051(17) -0.3312(17) 0.5495(13) 0.129 Uiso 1 calc R . C209 C 0.5167(17) -0.2335(19) 0.6325(9) 0.065(8) Uani 1 d . . H20F H 0.4807(17) -0.1746(19) 0.6464(9) 0.098 Uiso 1 calc R . H20G H 0.5883(17) -0.2354(19) 0.6323(9) 0.098 Uiso 1 calc R . H20H H 0.5034(17) -0.2853(19) 0.6566(9) 0.098 Uiso 1 calc R . C210 C 0.5153(14) -0.1595(15) 0.5393(10) 0.057(7) Uani 1 d . . H21A H 0.4944(14) -0.1619(15) 0.5009(10) 0.085 Uiso 1 calc R . H21B H 0.5877(14) -0.1671(15) 0.5407(10) 0.085 Uiso 1 calc R . H21C H 0.4832(14) -0.0995(15) 0.5534(10) 0.085 Uiso 1 calc R . C211 C 0.1397(13) -0.0727(12) 0.5065(8) 0.026(5) Uiso 1 d . . H21D H 0.1734(13) -0.0613(12) 0.4711(8) 0.031 Uiso 1 calc R . H21E H 0.0760(13) -0.0888(12) 0.4974(8) 0.031 Uiso 1 calc R . C212 C 0.0742(12) 0.0241(12) 0.5907(7) 0.017(4) Uiso 1 d . . C213 C 0.0434(13) 0.1104(12) 0.6100(7) 0.024(5) Uiso 1 d . . C214 C 0.0644(13) 0.1882(13) 0.5788(8) 0.027(5) Uiso 1 d . . H21F H 0.0455(13) 0.2474(13) 0.5938(8) 0.032 Uiso 1 calc R . C215 C 0.1112(13) 0.1824(13) 0.5276(8) 0.027(5) Uiso 1 d . . C216 C 0.1344(13) 0.0934(12) 0.5065(8) 0.027(5) Uiso 1 d . . H21G H 0.1626(13) 0.0874(12) 0.4705(8) 0.032 Uiso 1 calc R . C217 C 0.1181(12) 0.0138(12) 0.5360(7) 0.021(4) Uiso 1 d . . C218 C 0.1460(15) 0.2677(15) 0.5007(9) 0.043(6) Uiso 1 d . . C219 C 0.1749(16) 0.2526(14) 0.4407(9) 0.047(6) Uani 1 d . . H21H H 0.1967(16) 0.3071(14) 0.4242(9) 0.070 Uiso 1 calc R . H21I H 0.1173(16) 0.2434(14) 0.4201(9) 0.070 Uiso 1 calc R . H21J H 0.2292(16) 0.1975(14) 0.4390(9) 0.070 Uiso 1 calc R . C220 C 0.2372(15) 0.2795(16) 0.5349(9) 0.051(7) Uani 1 d . . H22A H 0.2173(15) 0.2893(16) 0.5735(9) 0.076 Uiso 1 calc R . H22B H 0.2613(15) 0.3333(16) 0.5191(9) 0.076 Uiso 1 calc R . H22C H 0.2904(15) 0.2234(16) 0.5335(9) 0.076 Uiso 1 calc R . C221 C 0.0654(16) 0.3595(13) 0.5025(10) 0.053(7) Uani 1 d . . H22D H 0.0459(16) 0.3704(13) 0.5411(10) 0.080 Uiso 1 calc R . H22E H 0.0071(16) 0.3546(13) 0.4810(10) 0.080 Uiso 1 calc R . H22F H 0.0925(16) 0.4115(13) 0.4866(10) 0.080 Uiso 1 calc R . C222 C -0.0139(13) 0.1305(13) 0.6642(8) 0.028(5) Uiso 1 d . . H22G H 0.0338(13) 0.1183(13) 0.6956(8) 0.034 Uiso 1 calc R . H22H H -0.0476(13) 0.1971(13) 0.6630(8) 0.034 Uiso 1 calc R . C223 C -0.0636(13) -0.0110(12) 0.7029(7) 0.024(5) Uiso 1 d . . C224 C -0.1259(14) -0.0716(13) 0.7172(8) 0.032(5) Uiso 1 d . . C225 C -0.2252(14) -0.0402(13) 0.6977(8) 0.030(5) Uiso 1 d . . H22I H -0.2708(14) -0.0796(13) 0.7039(8) 0.036 Uiso 1 calc R . C226 C -0.2569(13) 0.0444(12) 0.6706(8) 0.026(5) Uiso 1 d . . C227 C -0.1900(12) 0.1031(12) 0.6573(7) 0.022(4) Uiso 1 d . . H22J H -0.2118(12) 0.1616(12) 0.6375(7) 0.027 Uiso 1 calc R . C228 C -0.0910(13) 0.0721(12) 0.6744(7) 0.022(4) Uiso 1 d . . C229 C -0.3663(13) 0.0778(13) 0.6501(8) 0.027(5) Uiso 1 d . . C230 C -0.3868(15) 0.1752(16) 0.6194(11) 0.065(8) Uani 1 d . . H23A H -0.3648(15) 0.2190(16) 0.6426(11) 0.097 Uiso 1 calc R . H23B H -0.4582(15) 0.1962(16) 0.6119(11) 0.097 Uiso 1 calc R . H23C H -0.3502(15) 0.1721(16) 0.5843(11) 0.097 Uiso 1 calc R . C231 C -0.3982(16) 0.0079(17) 0.6167(11) 0.073(9) Uani 1 d . . H23D H -0.3840(16) -0.0528(17) 0.6375(11) 0.109 Uiso 1 calc R . H23E H -0.3617(16) 0.0032(17) 0.5815(11) 0.109 Uiso 1 calc R . H23F H -0.4697(16) 0.0273(17) 0.6092(11) 0.109 Uiso 1 calc R . C232 C -0.4314(15) 0.0938(17) 0.7043(11) 0.067(8) Uani 1 d . . H23G H -0.4097(15) 0.1398(17) 0.7258(11) 0.100 Uiso 1 calc R . H23H H -0.4235(15) 0.0350(17) 0.7268(11) 0.100 Uiso 1 calc R . H23I H -0.5016(15) 0.1164(17) 0.6939(11) 0.100 Uiso 1 calc R . C233 C -0.0899(14) -0.1626(12) 0.7482(8) 0.030(5) Uiso 1 d . . H23J H -0.1458(14) -0.1769(12) 0.7707(8) 0.036 Uiso 1 calc R . H23K H -0.0375(14) -0.1559(12) 0.7743(8) 0.036 Uiso 1 calc R . C234 C 0.0423(13) -0.2599(13) 0.6847(8) 0.028(5) Uiso 1 d . . C235 C 0.0769(14) -0.3377(13) 0.6582(8) 0.031(5) Uiso 1 d . . C236 C 0.0209(13) -0.4087(13) 0.6631(7) 0.027(5) Uiso 1 d . . H23L H 0.0465(13) -0.4654(13) 0.6462(7) 0.032 Uiso 1 calc R . C237 C -0.0666(14) -0.3990(13) 0.6905(8) 0.032(5) Uiso 1 d . . C238 C -0.0996(14) -0.3165(12) 0.7131(8) 0.029(5) Uiso 1 d . . H23M H -0.1638(14) -0.3066(12) 0.7295(8) 0.035 Uiso 1 calc R . C239 C -0.0493(13) -0.2440(12) 0.7150(8) 0.027(5) Uiso 1 d . . C240 C -0.1223(14) -0.4796(13) 0.6975(8) 0.030(5) Uiso 1 d . . C241 C -0.2287(15) -0.4481(14) 0.6768(9) 0.049(6) Uani 1 d . . H24A H -0.2618(15) -0.3927(14) 0.6955(9) 0.073 Uiso 1 calc R . H24B H -0.2644(15) -0.4979(14) 0.6849(9) 0.073 Uiso 1 calc R . H24C H -0.2287(15) -0.4333(14) 0.6366(9) 0.073 Uiso 1 calc R . C242 C -0.1256(16) -0.5055(16) 0.7616(10) 0.060(7) Uani 1 d . . H24D H -0.0576(16) -0.5261(16) 0.7760(10) 0.090 Uiso 1 calc R . H24E H -0.1614(16) -0.5556(16) 0.7682(10) 0.090 Uiso 1 calc R . H24F H -0.1599(16) -0.4508(16) 0.7806(10) 0.090 Uiso 1 calc R . C243 C -0.0694(16) -0.5657(14) 0.6689(9) 0.046(6) Uani 1 d . . H24G H -0.0008(16) -0.5852(14) 0.6827(9) 0.069 Uiso 1 calc R . H24H H -0.0688(16) -0.5513(14) 0.6287(9) 0.069 Uiso 1 calc R . H24I H -0.1045(16) -0.6159(14) 0.6770(9) 0.069 Uiso 1 calc R . C244 C 0.1833(12) -0.3680(12) 0.6319(7) 0.023(4) Uiso 1 d . . H24J H 0.2310(12) -0.3943(12) 0.6623(7) 0.027 Uiso 1 calc R . H24K H 0.1819(12) -0.4186(12) 0.6072(7) 0.027 Uiso 1 calc R . O2 O 0.3101(9) 0.0347(9) 0.6072(6) 0.040(4) Uani 1 d . . O1 O 0.6400(9) -0.2585(10) 0.7589(6) 0.050(4) Uani 1 d . . Cl3 Cl 0.1835(12) -0.9334(12) 0.8901(8) 0.253(9) Uani 1 d . . Cl4 Cl 0.1715(13) -1.0626(10) 0.9715(6) 0.219(7) Uani 1 d . . Cl5 Cl 0.0419(9) -1.0296(9) 0.8724(6) 0.190(6) Uani 1 d . . Cl6 Cl -0.2903(9) 0.4805(5) 0.4916(4) 0.147(5) Uani 1 d . . Cl7 Cl -0.1912(6) 0.3254(6) 0.5630(3) 0.101(3) Uani 1 d . . Cl8 Cl -0.3980(6) 0.4098(5) 0.5781(3) 0.087(2) Uani 1 d . . Cl9 Cl 0.4651(6) -0.6890(8) 0.9041(4) 0.120(4) Uani 1 d . . Cl10 Cl 0.2835(6) -0.7463(6) 0.9319(3) 0.091(3) Uani 1 d . . Cl11 Cl 0.2983(6) -0.5627(6) 0.9498(4) 0.095(3) Uani 1 d . . O101 O 0.5250(10) -0.4771(9) 0.9415(6) 0.044(4) Uani 1 d . . H101 H 0.4668(40) -0.4801(14) 0.9508(89) 0.066 Uiso 1 calc R . O102 O 0.3738(8) -0.3994(7) 0.8523(4) 0.018(3) Uani 1 d . . O103 O 0.3840(8) -0.4031(8) 0.7487(5) 0.022(3) Uani 1 d . . O104 O 0.5398(9) -0.4193(8) 0.8056(5) 0.028(3) Uiso 1 d . . O201 O 0.0676(9) -0.2307(9) 0.5597(6) 0.036(4) Uani 1 d . . H201 H 0.0344(33) -0.1825(65) 0.5429(79) 0.054 Uiso 1 calc R . O202 O 0.0663(8) -0.0573(8) 0.6196(5) 0.021(3) Uani 1 d . . O203 O 0.0356(8) -0.0402(8) 0.7213(5) 0.027(3) Uani 1 d . . O204 O 0.1072(8) -0.1968(8) 0.6844(5) 0.022(3) Uani 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 Rh1 0.0156(9) 0.0286(10) 0.0348(11) -0.0009(8) -0.0018(7) -0.0015(7) Rh2 0.0138(8) 0.0248(9) 0.0382(11) -0.0028(8) -0.0026(7) -0.0006(7) Cl1 0.030(3) 0.036(3) 0.057(4) 0.006(3) -0.014(3) -0.010(2) Cl2 0.020(3) 0.032(3) 0.040(3) 0.002(3) -0.002(2) 0.003(2) P1 0.014(3) 0.030(3) 0.028(3) -0.002(3) -0.002(2) -0.003(2) P2 0.018(3) 0.025(3) 0.023(3) 0.001(2) 0.000(2) 0.000(2) C3 0.161(34) 0.101(27) 0.044(19) 0.005(18) 0.021(20) 0.066(24) C4 0.051(15) 0.038(14) 0.045(15) 0.010(12) 0.017(12) -0.006(11) C5 0.100(23) 0.096(23) 0.057(18) -0.021(17) -0.021(16) -0.049(19) C108 0.065(18) 0.033(15) 0.124(26) -0.019(16) -0.010(17) 0.004(13) C109 0.096(21) 0.042(15) 0.081(20) -0.037(14) -0.029(16) -0.029(14) C110 0.064(18) 0.079(19) 0.070(19) -0.019(16) 0.008(14) -0.054(15) C130 0.005(10) 0.070(17) 0.078(18) -0.036(14) 0.007(11) -0.013(10) C131 0.071(19) 0.037(15) 0.111(24) 0.031(16) 0.004(17) -0.001(13) C132 0.066(18) 0.083(21) 0.074(20) -0.005(16) -0.015(15) -0.038(16) C208 0.040(16) 0.071(19) 0.153(30) -0.057(20) 0.024(17) -0.013(14) C209 0.049(16) 0.118(24) 0.035(15) -0.014(15) -0.003(12) -0.029(15) C210 0.006(11) 0.072(17) 0.087(19) 0.006(15) -0.012(11) -0.002(11) C219 0.046(14) 0.039(14) 0.047(15) 0.024(12) 0.006(12) 0.002(11) C220 0.042(14) 0.079(18) 0.047(15) -0.023(13) -0.011(11) -0.040(13) C221 0.057(16) 0.018(12) 0.085(19) -0.011(12) -0.019(14) -0.006(11) C230 0.020(13) 0.081(19) 0.081(20) 0.018(16) -0.014(13) 0.007(12) C231 0.029(14) 0.073(19) 0.112(24) -0.024(17) -0.028(14) 0.006(13) C232 0.023(13) 0.080(19) 0.091(21) 0.004(16) 0.019(13) 0.000(12) C241 0.045(14) 0.038(14) 0.063(17) 0.036(12) -0.009(12) -0.019(11) C242 0.046(15) 0.062(17) 0.079(20) -0.001(15) 0.005(13) -0.030(13) C243 0.046(14) 0.056(16) 0.041(14) -0.014(12) 0.020(11) -0.020(12) O2 0.026(8) 0.051(9) 0.044(9) 0.013(8) -0.014(7) -0.012(7) O1 0.011(8) 0.077(12) 0.059(11) -0.011(9) 0.012(7) -0.004(7) Cl3 0.237(17) 0.245(18) 0.302(22) 0.124(16) -0.023(15) -0.143(15) Cl4 0.322(21) 0.172(13) 0.155(13) 0.040(10) -0.015(13) -0.052(13) Cl5 0.115(9) 0.182(12) 0.246(15) -0.077(11) -0.056(9) 0.049(8) Cl6 0.264(13) 0.045(5) 0.125(8) -0.013(5) 0.105(9) -0.023(6) Cl7 0.065(5) 0.153(8) 0.091(6) -0.049(6) -0.012(4) -0.024(5) Cl8 0.106(6) 0.053(4) 0.094(6) -0.008(4) 0.047(5) -0.006(4) Cl9 0.083(6) 0.213(11) 0.090(6) -0.055(7) 0.039(5) -0.078(7) Cl10 0.086(6) 0.122(7) 0.082(6) -0.017(5) 0.004(4) -0.054(5) Cl11 0.096(6) 0.092(6) 0.096(6) 0.029(5) -0.023(5) -0.027(5) O101 0.036(9) 0.046(10) 0.054(10) -0.013(8) -0.001(8) -0.017(7) O102 0.017(7) 0.014(7) 0.018(7) 0.007(6) -0.006(5) 0.006(5) O103 0.007(6) 0.022(7) 0.035(8) -0.003(6) -0.005(5) 0.006(5) O201 0.015(7) 0.056(10) 0.038(9) 0.003(8) 0.005(6) -0.010(7) O202 0.014(6) 0.029(7) 0.020(7) -0.003(6) -0.006(5) -0.006(5) O203 0.007(7) 0.038(8) 0.032(8) -0.015(7) 0.005(6) 0.007(6) O204 0.007(6) 0.022(7) 0.036(8) -0.004(6) -0.001(5) -0.003(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 C1 1.85(2) . ? Rh1 P1 2.163(5) . ? Rh1 Cl1 2.386(5) . ? Rh1 Cl2 2.391(5) . ? Rh1 Rh2 3.147(3) . ? Rh2 C2 1.76(2) . ? Rh2 P2 2.176(5) . ? Rh2 Cl1 2.386(5) . ? Rh2 Cl2 2.396(6) . ? P1 O104 1.596(12) . ? P1 O103 1.597(12) . ? P1 O102 1.603(12) . ? P2 O204 1.547(12) . ? P2 O202 1.610(12) . ? P2 O203 1.612(12) . ? C1 O1 1.13(2) . ? C2 O2 1.21(2) . ? C3 Cl3 1.61(4) . ? C3 Cl4 1.65(3) . ? C3 Cl5 1.78(4) . ? C4 Cl6 1.73(2) . ? C4 Cl7 1.73(2) . ? C4 Cl8 1.77(2) . ? C5 Cl11 1.65(3) . ? C5 Cl9 1.75(3) . ? C5 Cl10 1.78(2) . ? C101 C106 1.35(2) . ? C101 O101 1.37(2) . ? C101 C102 1.42(3) . ? C102 C103 1.38(3) . ? C102 C111 1.51(3) . ? C103 C104 1.41(3) . ? C104 C105 1.41(3) . ? C104 C107 1.51(3) . ? C105 C106 1.39(2) . ? C106 C144 1.51(2) . ? C107 C108 1.52(3) . ? C107 C110 1.53(3) . ? C107 C109 1.56(3) . ? C111 C117 1.54(2) . ? C112 C113 1.37(2) . ? C112 C117 1.38(2) . ? C112 O102 1.45(2) . ? C113 C114 1.36(2) . ? C113 C122 1.53(2) . ? C114 C115 1.40(3) . ? C115 C116 1.42(3) . ? C115 C118 1.62(3) . ? C116 C117 1.37(3) . ? C118 C920 1.43(4) . ? C118 C919 1.46(4) . ? C118 C119 1.50(6) . ? C118 C921 1.55(5) . ? C118 C121 1.60(5) . ? C118 C120 1.66(5) . ? C122 C128 1.48(2) . ? C123 C124 1.36(2) . ? C123 O103 1.39(2) . ? C123 C128 1.40(2) . ? C124 C125 1.38(2) . ? C124 C133 1.57(2) . ? C125 C126 1.39(2) . ? C126 C127 1.41(2) . ? C126 C129 1.45(3) . ? C127 C128 1.40(2) . ? C129 C132 1.52(3) . ? C129 C130 1.55(3) . ? C129 C131 1.57(3) . ? C133 C139 1.53(2) . ? C134 C139 1.35(2) . ? C134 C135 1.37(2) . ? C134 O104 1.44(2) . ? C135 C136 1.41(2) . ? C135 C144 1.51(2) . ? C136 C137 1.42(2) . ? C137 C138 1.36(2) . ? C137 C140 1.56(3) . ? C138 C139 1.43(2) . ? C140 C142 1.40(6) . ? C140 C143 1.45(6) . ? C140 C942 1.46(4) . ? C140 C141 1.52(5) . ? C140 C941 1.59(4) . ? C140 C943 1.60(5) . ? C201 C202 1.35(2) . ? C201 O201 1.38(2) . ? C201 C206 1.41(2) . ? C202 C203 1.40(2) . ? C202 C211 1.52(2) . ? C203 C204 1.42(2) . ? C204 C205 1.35(2) . ? C204 C207 1.54(2) . ? C205 C206 1.44(2) . ? C206 C244 1.50(2) . ? C207 C209 1.44(3) . ? C207 C208 1.48(3) . ? C207 C210 1.59(3) . ? C211 C217 1.47(2) . ? C212 C213 1.36(2) . ? C212 O202 1.38(2) . ? C212 C217 1.45(2) . ? C213 C214 1.42(2) . ? C213 C222 1.53(2) . ? C214 C215 1.38(2) . ? C215 C216 1.41(2) . ? C215 C218 1.55(3) . ? C216 C217 1.40(2) . ? C218 C219 1.51(3) . ? C218 C221 1.56(3) . ? C218 C220 1.56(3) . ? C222 C228 1.52(2) . ? C223 C228 1.35(2) . ? C223 C224 1.40(2) . ? C223 O203 1.41(2) . ? C224 C225 1.42(2) . ? C224 C233 1.48(2) . ? C225 C226 1.36(2) . ? C226 C227 1.42(2) . ? C226 C229 1.55(2) . ? C227 C228 1.40(2) . ? C229 C231 1.49(3) . ? C229 C230 1.55(3) . ? C229 C232 1.58(3) . ? C233 C239 1.49(2) . ? C234 C235 1.34(2) . ? C234 O204 1.43(2) . ? C234 C239 1.43(2) . ? C235 C236 1.43(2) . ? C235 C244 1.57(2) . ? C236 C237 1.35(2) . ? C237 C238 1.35(2) . ? C237 C240 1.55(3) . ? C238 C239 1.40(2) . ? C240 C241 1.52(3) . ? C240 C243 1.52(3) . ? C240 C242 1.57(3) . ? 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 C1 Rh1 P1 87.5(6) . . ? C1 Rh1 Cl1 93.3(6) . . ? P1 Rh1 Cl1 173.8(2) . . ? C1 Rh1 Cl2 175.9(6) . . ? P1 Rh1 Cl2 94.8(2) . . ? Cl1 Rh1 Cl2 84.0(2) . . ? C1 Rh1 Rh2 127.0(6) . . ? P1 Rh1 Rh2 126.54(15) . . ? Cl1 Rh1 Rh2 48.73(13) . . ? Cl2 Rh1 Rh2 48.98(13) . . ? C2 Rh2 P2 96.0(6) . . ? C2 Rh2 Cl1 90.9(6) . . ? P2 Rh2 Cl1 171.5(2) . . ? C2 Rh2 Cl2 174.7(6) . . ? P2 Rh2 Cl2 89.3(2) . . ? Cl1 Rh2 Cl2 83.9(2) . . ? C2 Rh2 Rh1 126.3(6) . . ? P2 Rh2 Rh1 128.57(15) . . ? Cl1 Rh2 Rh1 48.75(13) . . ? Cl2 Rh2 Rh1 48.82(12) . . ? Rh2 Cl1 Rh1 82.5(2) . . ? Rh1 Cl2 Rh2 82.2(2) . . ? O104 P1 O103 104.2(6) . . ? O104 P1 O102 103.0(6) . . ? O103 P1 O102 103.0(6) . . ? O104 P1 Rh1 111.7(5) . . ? O103 P1 Rh1 109.3(5) . . ? O102 P1 Rh1 123.7(5) . . ? O204 P2 O202 103.0(7) . . ? O204 P2 O203 105.9(7) . . ? O202 P2 O203 102.0(6) . . ? O204 P2 Rh2 112.6(5) . . ? O202 P2 Rh2 124.8(5) . . ? O203 P2 Rh2 106.7(5) . . ? O1 C1 Rh1 174.0(18) . . ? O2 C2 Rh2 173.1(16) . . ? Cl3 C3 Cl4 110.4(23) . . ? Cl3 C3 Cl5 105.9(17) . . ? Cl4 C3 Cl5 118.7(23) . . ? Cl6 C4 Cl7 112.2(13) . . ? Cl6 C4 Cl8 107.7(12) . . ? Cl7 C4 Cl8 110.3(12) . . ? Cl11 C5 Cl9 115.7(17) . . ? Cl11 C5 Cl10 110.5(16) . . ? Cl9 C5 Cl10 108.9(14) . . ? C106 C101 O101 117.4(16) . . ? C106 C101 C102 118.4(18) . . ? O101 C101 C102 124.2(17) . . ? C103 C102 C101 120.1(19) . . ? C103 C102 C111 121.3(18) . . ? C101 C102 C111 118.6(18) . . ? C102 C103 C104 123.4(19) . . ? C103 C104 C105 113.2(18) . . ? C103 C104 C107 122.4(18) . . ? C105 C104 C107 124.4(19) . . ? C106 C105 C104 124.1(19) . . ? C101 C106 C105 120.4(17) . . ? C101 C106 C144 120.6(16) . . ? C105 C106 C144 118.9(16) . . ? C104 C107 C108 113.0(19) . . ? C104 C107 C110 107.5(19) . . ? C108 C107 C110 106.9(20) . . ? C104 C107 C109 110.8(18) . . ? C108 C107 C109 107.5(20) . . ? C110 C107 C109 111.1(19) . . ? C102 C111 C117 119.3(17) . . ? C113 C112 C117 122.5(17) . . ? C113 C112 O102 121.0(15) . . ? C117 C112 O102 115.8(15) . . ? C114 C113 C112 119.7(18) . . ? C114 C113 C122 114.6(16) . . ? C112 C113 C122 125.3(16) . . ? C113 C114 C115 121.4(19) . . ? C114 C115 C116 116.3(19) . . ? C114 C115 C118 122.8(19) . . ? C116 C115 C118 121.0(20) . . ? C117 C116 C115 122.2(20) . . ? C116 C117 C112 117.5(18) . . ? C116 C117 C111 112.8(17) . . ? C112 C117 C111 129.6(17) . . ? C920 C118 C919 120.7(32) . . ? C920 C118 C921 99.3(30) . . ? C919 C118 C921 110.3(30) . . ? C119 C118 C121 113.2(36) . . ? C920 C118 C115 107.3(26) . . ? C919 C118 C115 111.4(26) . . ? C119 C118 C115 114.5(30) . . ? C921 C118 C115 106.5(25) . . ? C121 C118 C115 103.6(27) . . ? C119 C118 C120 111.6(36) . . ? C121 C118 C120 107.1(32) . . ? C115 C118 C120 106.1(26) . . ? C128 C122 C113 114.2(15) . . ? C124 C123 O103 120.9(16) . . ? C124 C123 C128 121.1(18) . . ? O103 C123 C128 117.4(15) . . ? C123 C124 C125 120.4(18) . . ? C123 C124 C133 117.1(16) . . ? C125 C124 C133 122.5(16) . . ? C124 C125 C126 122.4(17) . . ? C125 C126 C127 115.6(17) . . ? C125 C126 C129 121.7(17) . . ? C127 C126 C129 122.7(17) . . ? C128 C127 C126 123.6(17) . . ? C123 C128 C127 116.9(17) . . ? C123 C128 C122 119.7(17) . . ? C127 C128 C122 123.4(17) . . ? C126 C129 C132 111.6(19) . . ? C126 C129 C130 115.4(18) . . ? C132 C129 C130 106.3(18) . . ? C126 C129 C131 111.8(19) . . ? C132 C129 C131 106.2(20) . . ? C130 C129 C131 104.8(18) . . ? C139 C133 C124 110.3(15) . . ? C139 C134 C135 125.1(17) . . ? C139 C134 O104 119.1(16) . . ? C135 C134 O104 115.0(16) . . ? C134 C135 C136 116.7(17) . . ? C134 C135 C144 126.2(17) . . ? C136 C135 C144 116.6(16) . . ? C135 C136 C137 121.0(17) . . ? C138 C137 C136 117.9(17) . . ? C138 C137 C140 123.0(17) . . ? C136 C137 C140 119.0(16) . . ? C137 C138 C139 122.5(18) . . ? C134 C139 C138 116.3(16) . . ? C134 C139 C133 128.0(16) . . ? C138 C139 C133 115.6(15) . . ? C142 C140 C143 103.8(43) . . ? C142 C140 C141 119.0(38) . . ? C143 C140 C141 102.9(36) . . ? C142 C140 C137 109.3(33) . . ? C143 C140 C137 108.0(30) . . ? C942 C140 C137 110.1(21) . . ? C141 C140 C137 112.7(23) . . ? C942 C140 C941 103.0(23) . . ? C137 C140 C941 110.9(18) . . ? C942 C140 C943 117.7(29) . . ? C137 C140 C943 106.8(24) . . ? C941 C140 C943 108.2(26) . . ? C135 C144 C106 119.8(16) . . ? C202 C201 O201 125.3(16) . . ? C202 C201 C206 121.4(17) . . ? O201 C201 C206 113.2(15) . . ? C201 C202 C203 119.8(17) . . ? C201 C202 C211 121.6(17) . . ? C203 C202 C211 118.6(17) . . ? C202 C203 C204 121.3(17) . . ? C205 C204 C203 116.6(17) . . ? C205 C204 C207 121.4(17) . . ? C203 C204 C207 122.0(16) . . ? C204 C205 C206 123.6(18) . . ? C201 C206 C205 116.4(17) . . ? C201 C206 C244 124.8(16) . . ? C205 C206 C244 118.8(16) . . ? C209 C207 C208 114.3(21) . . ? C209 C207 C204 111.4(17) . . ? C208 C207 C204 108.4(17) . . ? C209 C207 C210 106.6(18) . . ? C208 C207 C210 105.2(19) . . ? C204 C207 C210 110.9(15) . . ? C217 C211 C202 114.2(15) . . ? C213 C212 O202 124.5(16) . . ? C213 C212 C217 120.0(16) . . ? O202 C212 C217 115.5(14) . . ? C212 C213 C214 119.3(17) . . ? C212 C213 C222 124.5(17) . . ? C214 C213 C222 116.2(16) . . ? C215 C214 C213 123.4(18) . . ? C214 C215 C216 115.9(17) . . ? C214 C215 C218 119.8(17) . . ? C216 C215 C218 123.9(17) . . ? C217 C216 C215 123.3(17) . . ? C216 C217 C212 117.8(16) . . ? C216 C217 C211 116.5(16) . . ? C212 C217 C211 125.5(16) . . ? C219 C218 C215 110.4(17) . . ? C219 C218 C221 108.4(18) . . ? C215 C218 C221 113.0(17) . . ? C219 C218 C220 110.5(18) . . ? C215 C218 C220 107.0(17) . . ? C221 C218 C220 107.5(17) . . ? C228 C222 C213 112.6(15) . . ? C228 C223 C224 125.7(17) . . ? C228 C223 O203 118.5(16) . . ? C224 C223 O203 115.8(16) . . ? C223 C224 C225 114.3(18) . . ? C223 C224 C233 122.6(17) . . ? C225 C224 C233 123.1(17) . . ? C226 C225 C224 122.0(19) . . ? C225 C226 C227 121.1(17) . . ? C225 C226 C229 121.1(17) . . ? C227 C226 C229 117.8(16) . . ? C228 C227 C226 117.8(17) . . ? C223 C228 C227 119.1(17) . . ? C223 C228 C222 118.6(16) . . ? C227 C228 C222 122.3(16) . . ? C231 C229 C230 112.0(18) . . ? C231 C229 C226 112.0(16) . . ? C230 C229 C226 113.0(15) . . ? C231 C229 C232 110.4(19) . . ? C230 C229 C232 103.2(17) . . ? C226 C229 C232 105.7(16) . . ? C224 C233 C239 117.2(16) . . ? C235 C234 O204 115.2(16) . . ? C235 C234 C239 122.9(17) . . ? O204 C234 C239 121.7(16) . . ? C234 C235 C236 117.6(18) . . ? C234 C235 C244 126.3(17) . . ? C236 C235 C244 114.9(16) . . ? C237 C236 C235 123.2(18) . . ? C236 C237 C238 115.6(18) . . ? C236 C237 C240 121.6(17) . . ? C238 C237 C240 122.7(18) . . ? C237 C238 C239 127.1(19) . . ? C238 C239 C234 113.3(17) . . ? C238 C239 C233 120.3(17) . . ? C234 C239 C233 126.4(17) . . ? C241 C240 C243 110.3(17) . . ? C241 C240 C237 110.8(16) . . ? C243 C240 C237 112.7(16) . . ? C241 C240 C242 107.9(16) . . ? C243 C240 C242 108.5(16) . . ? C237 C240 C242 106.5(16) . . ? C206 C244 C235 116.7(14) . . ? C112 O102 P1 128.7(10) . . ? C123 O103 P1 120.3(11) . . ? C134 O104 P1 141.6(11) . . ? C212 O202 P2 125.3(10) . . ? C223 O203 P2 117.9(11) . . ? C234 O204 P2 146.7(11) . . ? _refine_diff_density_max 1.161 _refine_diff_density_min -1.530 _refine_diff_density_rms 0.192