Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2002 data_JSE013 _database_code_CSD 170079 _journal_coden_Cambridge 182 loop_ _publ_author_name _publ_author_address 'Maas, Gerhard' ; Abteilung Organische Chemie I Universitat Ulm Albert-Einstein-Allee 11 D-89081 Ulm Germany ; 'Seitz, Jurgen' ; Abteilung Organische Chemie I Universitat Ulm Albert-Einstein-Allee 11 D-89081 Ulm Germany ; _publ_contact_author_name 'Prof Gerhard Maas' _publ_contact_author_address ; Division of Organic Chemistry I University of Ulm Albert-Einstein-Allee 11 Ulm D-89081 GERMANY ; _publ_contact_author_phone '+49 731 502 2790' _publ_contact_author_fax '+49 731 502 2803' _publ_contact_author_email 'gerhard.maas@chemie.uni-ulm.de' _publ_requested_journal 'Chemical Communications' #=========================================================================== # 2. TITLE AND AUTHOR LIST #=========================================================================== _publ_section_title ; Calixarenes as Ligands for Transition-Metal Catalysts: A Bis(calix[4]arene- 11,23-dicarboxylato) Dirhodium Complex ; _audit_creation_method SHELXL-97 ; bis(5,17-dibromocalix[4]arene-11,23-dicarboxylato) dirhodium toluene tetrasolvate ; _chemical_name_common ? _chemical_melting_point ' 290 \%C' _chemical_formula_moiety '(C84H88BR4O16RH2) x 4(C7H8)' _chemical_formula_sum 'C112 H120 Br4 O16 Rh2' 'C112 H120 BR4 O16 Rh2' _chemical_formula_weight 2247.54 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' 'Br' 'Br' -0.2901 2.4595 '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 1bar' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.801(2) _cell_length_b 16.916(3) _cell_length_c 25.080(5) _cell_angle_alpha 72.15(2) _cell_angle_beta 87.38(2) _cell_angle_gamma 85.48(2) _cell_volume 5151.9(17) _cell_formula_units_Z 2 _cell_measurement_temperature 193(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prismatic _exptl_crystal_colour green _exptl_crystal_size_max 0.54 _exptl_crystal_size_mid 0.42 _exptl_crystal_size_min 0.31 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.449 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2300 _exptl_absorpt_coefficient_mu 1.936 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 193(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 'IPDS (Stoe, Darmstadt)' _diffrn_measurement_method 'Phi scans, rotation mode' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 26124 _diffrn_reflns_av_R_equivalents 0.0668 _diffrn_reflns_av_sigmaI/netI 0.1080 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 2.11 _diffrn_reflns_theta_max 21.97 _reflns_number_total 12010 _reflns_number_gt 7370 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'IPDS software (Stoe, Darmstadt)' _computing_cell_refinement 'IPDS software (Stoe, Darmstadt)' _computing_data_reduction 'X-RED (Stoe, Darmstadt)' _computing_structure_solution 'SIR-92' _computing_structure_refinement 'SHELXL-97 (G. M. Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP-3 for Windows (L.J. Farrugia, 1998)' _computing_publication_material 'SHELXL-97 (G. M. Sheldrick, 1997)' _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^)+(0.0946P)^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 12010 _refine_ls_number_parameters 1146 _refine_ls_number_restraints 8 _refine_ls_R_factor_all 0.1037 _refine_ls_R_factor_gt 0.0641 _refine_ls_wR_factor_ref 0.1661 _refine_ls_wR_factor_gt 0.1520 _refine_ls_goodness_of_fit_ref 0.950 _refine_ls_restrained_S_all 0.951 _refine_ls_shift/su_max 0.015 _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 Rh1 Rh 0.04647(6) 0.54546(5) 0.51745(3) 0.0239(2) Uani 1 1 d . . . Br1 Br 0.46846(12) 0.77867(9) 0.47183(6) 0.0693(4) Uani 1 1 d . . . Br2 Br -0.04342(11) 0.26086(10) 0.28475(6) 0.0732(5) Uani 1 1 d . . . O1 O 0.0244(5) 0.4678(4) 0.5964(2) 0.0300(16) Uani 1 1 d . . . O2 O 0.0639(5) 0.6180(4) 0.4363(2) 0.0283(15) Uani 1 1 d . . . O3 O -0.0935(5) 0.5985(4) 0.5319(2) 0.0274(15) Uani 1 1 d . . . O4 O 0.1829(4) 0.4854(4) 0.5012(2) 0.0278(15) Uani 1 1 d . . . O5 O 0.2750(5) 0.6819(4) 0.1946(2) 0.0345(17) Uani 1 1 d . . . O6 O 0.4473(5) 0.5983(4) 0.3002(3) 0.0325(16) Uani 1 1 d . . . O7 O 0.5288(5) 0.3934(4) 0.3389(3) 0.0390(17) Uani 1 1 d . . . O8 O 0.3209(5) 0.4757(4) 0.2485(3) 0.0386(17) Uani 1 1 d . . . C1 C 0.0397(7) 0.5881(6) 0.3981(4) 0.024(2) Uani 1 1 d . . . C2 C 0.0938(7) 0.6207(6) 0.3410(4) 0.027(2) Uani 1 1 d . . . C3 C 0.1722(7) 0.6747(6) 0.3351(4) 0.029(2) Uani 1 1 d . . . H3 H 0.1845 0.6975 0.3643 0.034 Uiso 1 1 calc R . . C4 C 0.2335(7) 0.6956(6) 0.2855(4) 0.031(2) Uani 1 1 d . . . C5 C 0.2132(7) 0.6617(6) 0.2437(4) 0.029(2) Uani 1 1 d . . . C6 C 0.1374(7) 0.6046(6) 0.2499(4) 0.030(2) Uani 1 1 d . . . C7 C 0.0779(7) 0.5843(6) 0.3006(4) 0.028(2) Uani 1 1 d . . . H7 H 0.0263 0.5449 0.3067 0.034 Uiso 1 1 calc R . . C8 C 0.3255(7) 0.7514(6) 0.2811(4) 0.032(2) Uani 1 1 d . . . H8A H 0.3667 0.7546 0.2462 0.048 Uiso 1 1 calc R . . H8B H 0.2973 0.8085 0.2791 0.048 Uiso 1 1 calc R . . C9 C 0.3960(8) 0.7186(6) 0.3303(4) 0.036(3) Uani 1 1 d . . . C10 C 0.4017(8) 0.7575(7) 0.3706(4) 0.037(3) Uani 1 1 d . . . H10 H 0.3672 0.8111 0.3652 0.044 Uiso 1 1 calc R . . C11 C 0.4566(8) 0.7201(6) 0.4188(4) 0.034(3) Uani 1 1 d . . . C12 C 0.5031(8) 0.6411(7) 0.4298(4) 0.036(3) Uani 1 1 d . . . H12 H 0.5368 0.6149 0.4644 0.043 Uiso 1 1 calc R . . C13 C 0.5002(7) 0.5996(6) 0.3899(4) 0.032(2) Uani 1 1 d . . . C14 C 0.4511(7) 0.6400(6) 0.3388(4) 0.031(2) Uani 1 1 d . . . C15 C 0.5396(7) 0.5091(6) 0.4025(4) 0.032(2) Uani 1 1 d . . . H15A H 0.5764 0.4907 0.4386 0.049 Uiso 1 1 calc R . . H15B H 0.5900 0.5026 0.3728 0.049 Uiso 1 1 calc R . . C16 C 0.4479(7) 0.4555(6) 0.4058(4) 0.029(2) Uani 1 1 d . . . C17 C 0.3605(7) 0.4618(6) 0.4396(4) 0.025(2) Uani 1 1 d . . . H17 H 0.3606 0.4983 0.4618 0.030 Uiso 1 1 calc R . . C18 C 0.2750(7) 0.4179(5) 0.4421(4) 0.025(2) Uani 1 1 d . . . C19 C 0.1711(7) 0.4382(6) 0.4746(4) 0.024(2) Uiso 1 1 d . . . C20 C 0.2708(7) 0.3693(6) 0.4068(4) 0.031(2) Uani 1 1 d . . . H20 H 0.2092 0.3414 0.4069 0.037 Uiso 1 1 calc R . . C21 C 0.3544(8) 0.3603(6) 0.3716(4) 0.031(2) Uani 1 1 d . . . C22 C 0.4434(7) 0.4018(6) 0.3730(4) 0.030(2) Uani 1 1 d . . . C23 C 0.3436(8) 0.3143(6) 0.3288(4) 0.036(3) Uani 1 1 d . . . H23A H 0.4063 0.3215 0.3035 0.054 Uiso 1 1 calc R . . H23B H 0.3404 0.2540 0.3485 0.054 Uiso 1 1 calc R . . C24 C 0.2468(8) 0.3454(6) 0.2943(4) 0.035(3) Uani 1 1 d . . . C25 C 0.1598(9) 0.2976(7) 0.3028(4) 0.043(3) Uani 1 1 d . . . H25 H 0.1638 0.2421 0.3272 0.052 Uiso 1 1 calc R . . C26 C 0.0699(8) 0.3311(8) 0.2761(4) 0.043(3) Uani 1 1 d . . . C27 C 0.0559(8) 0.4144(7) 0.2461(4) 0.039(3) Uani 1 1 d . . . H27 H -0.0109 0.4374 0.2317 0.047 Uiso 1 1 calc R . . C28 C 0.1390(8) 0.4637(6) 0.2372(4) 0.033(3) Uani 1 1 d . . . C29 C 0.2363(7) 0.4270(6) 0.2592(4) 0.034(3) Uani 1 1 d . . . C30 C 0.1257(8) 0.5565(7) 0.2088(4) 0.040(3) Uani 1 1 d . . . H30A H 0.0555 0.5709 0.1920 0.060 Uiso 1 1 calc R . . H30B H 0.1789 0.5728 0.1781 0.060 Uiso 1 1 calc R . . C31 C 0.2365(9) 0.7557(7) 0.1539(5) 0.051(3) Uani 1 1 d . . . H31A H 0.2105 0.7976 0.1724 0.077 Uiso 1 1 calc R . . H31B H 0.1775 0.7435 0.1341 0.077 Uiso 1 1 calc R . . C32 C 0.3244(11) 0.7897(8) 0.1120(5) 0.070(4) Uani 1 1 d . . . H32A H 0.2978 0.8429 0.0852 0.105 Uiso 1 1 calc R . . H32B H 0.3822 0.8020 0.1326 0.105 Uiso 1 1 calc R . . C33 C 0.3668(14) 0.7353(9) 0.0805(6) 0.100(6) Uani 1 1 d . . . H33A H 0.4234 0.7618 0.0554 0.150 Uiso 1 1 calc R . . H33B H 0.3113 0.7246 0.0585 0.150 Uiso 1 1 calc R . . H33C H 0.3944 0.6825 0.1065 0.150 Uiso 1 1 calc R . . C34 C 0.5113(9) 0.6291(8) 0.2481(5) 0.061(3) Uani 1 1 d . . . H34A H 0.4707 0.6274 0.2159 0.091 Uiso 1 1 calc R . . H34B H 0.5249 0.6879 0.2427 0.091 Uiso 1 1 calc R . . C35 C 0.6080(11) 0.5826(9) 0.2486(6) 0.077(4) Uani 1 1 d . . . H35A H 0.5976 0.5225 0.2647 0.115 Uiso 1 1 calc R . . H35B H 0.6578 0.5979 0.2723 0.115 Uiso 1 1 calc R . . C36 C 0.6541(11) 0.6002(9) 0.1880(6) 0.079(5) Uani 1 1 d . . . H36A H 0.7213 0.5678 0.1887 0.118 Uiso 1 1 calc R . . H36B H 0.6650 0.6597 0.1722 0.118 Uiso 1 1 calc R . . H36C H 0.6052 0.5843 0.1648 0.118 Uiso 1 1 calc R . . C37 C 0.6026(8) 0.3266(7) 0.3660(5) 0.049(3) Uani 1 1 d . . . H37A H 0.5684 0.2733 0.3763 0.074 Uiso 1 1 calc R . . H37B H 0.6260 0.3350 0.4009 0.074 Uiso 1 1 calc R . . C38 C 0.6940(10) 0.3226(11) 0.3287(6) 0.087(5) Uani 1 1 d . . . H38A H 0.7305 0.3745 0.3214 0.130 Uiso 1 1 calc R . . H38B H 0.7431 0.2758 0.3487 0.130 Uiso 1 1 calc R . . C39 C 0.6705(15) 0.3121(14) 0.2750(7) 0.131(8) Uani 1 1 d . . . H39A H 0.7355 0.3113 0.2530 0.196 Uiso 1 1 calc R . . H39B H 0.6225 0.3584 0.2546 0.196 Uiso 1 1 calc R . . H39C H 0.6376 0.2595 0.2815 0.196 Uiso 1 1 calc R . . C40 C 0.3991(10) 0.4530(8) 0.2106(6) 0.068(4) Uani 1 1 d . . . H40A H 0.4137 0.3919 0.2230 0.102 Uiso 1 1 calc R . . H40B H 0.4651 0.4786 0.2128 0.102 Uiso 1 1 calc R . . C41 C 0.3654(12) 0.4800(9) 0.1522(6) 0.081(4) Uani 1 1 d . . . H41A H 0.3526 0.5413 0.1389 0.121 Uiso 1 1 calc R . . H41B H 0.2994 0.4548 0.1494 0.121 Uiso 1 1 calc R . . C42 C 0.4542(11) 0.4515(9) 0.1149(5) 0.078(4) Uani 1 1 d . . . H42A H 0.4327 0.4695 0.0758 0.117 Uiso 1 1 calc R . . H42B H 0.4656 0.3907 0.1280 0.117 Uiso 1 1 calc R . . H42C H 0.5193 0.4766 0.1179 0.117 Uiso 1 1 calc R . . C100 C 0.0898(9) 0.7807(7) 0.5137(5) 0.049(3) Uani 1 1 d . . . C101 C 0.1710(12) 0.7438(9) 0.4903(5) 0.070(4) Uani 1 1 d . . . H101 H 0.2001 0.7743 0.4552 0.084 Uiso 1 1 calc R . . C102 C 0.2113(10) 0.6652(9) 0.5156(5) 0.060(3) Uani 1 1 d . . . H102 H 0.2702 0.6428 0.4993 0.072 Uiso 1 1 calc R . . C103 C 0.1662(10) 0.6173(7) 0.5658(5) 0.055(3) Uani 1 1 d . . . H103 H 0.1926 0.5618 0.5837 0.066 Uiso 1 1 calc R . . C104 C 0.0836(10) 0.6526(8) 0.5879(5) 0.057(3) Uani 1 1 d . . . H104 H 0.0523 0.6215 0.6223 0.068 Uiso 1 1 calc R . . C105 C 0.0448(10) 0.7307(8) 0.5626(5) 0.059(3) Uani 1 1 d . . . H105 H -0.0152 0.7523 0.5786 0.070 Uiso 1 1 calc R . . C106 C 0.0447(12) 0.8659(9) 0.4845(6) 0.087(5) Uani 1 1 d . . . H10A H 0.0887 0.9070 0.4907 0.131 Uiso 1 1 calc R . . H10B H -0.0263 0.8735 0.4993 0.131 Uiso 1 1 calc R . . H10C H 0.0421 0.8734 0.4443 0.131 Uiso 1 1 calc R . . Rh2 Rh 0.44000(6) 1.04385(5) 0.01821(3) 0.0244(2) Uani 1 1 d . . . Br3 Br 1.03847(11) 0.73089(8) 0.02723(5) 0.0630(4) Uani 1 1 d . . . Br4 Br 0.34427(10) 1.21233(9) 0.21506(6) 0.0673(4) Uani 1 1 d . . . O9 O 0.4663(5) 0.9644(4) 0.0967(2) 0.0281(15) Uani 1 1 d . . . O10 O 0.5793(5) 0.8824(4) 0.0620(2) 0.0276(15) Uani 1 1 d . . . O11 O 0.5662(5) 1.0984(4) 0.0331(3) 0.0282(15) Uani 1 1 d . . . O12 O 0.6800(5) 1.0161(4) -0.0008(2) 0.0279(15) Uani 1 1 d . . . O13 O 0.9279(5) 0.9041(4) 0.2013(3) 0.0360(17) Uani 1 1 d . . . O14 O 0.9683(5) 1.1097(4) 0.1676(3) 0.0462(19) Uani 1 1 d . . . O15 O 0.7597(5) 1.0190(4) 0.2584(3) 0.0399(18) Uani 1 1 d . . . O16 O 0.7552(5) 0.8108(4) 0.3057(2) 0.0347(16) Uani 1 1 d . . . C43 C 0.5414(7) 0.9087(6) 0.1011(4) 0.027(2) Uani 1 1 d . . . C44 C 0.5907(7) 0.8757(5) 0.1567(4) 0.025(2) Uani 1 1 d . . . C45 C 0.6836(7) 0.8234(6) 0.1637(4) 0.027(2) Uani 1 1 d . . . H45 H 0.7093 0.8032 0.1338 0.033 Uiso 1 1 calc R . . C46 C 0.7379(7) 0.8009(5) 0.2127(4) 0.027(2) Uani 1 1 d . . . C47 C 0.6986(7) 0.8308(6) 0.2568(4) 0.029(2) Uani 1 1 d . . . C48 C 0.6103(7) 0.8844(6) 0.2514(4) 0.027(2) Uani 1 1 d . . . C49 C 0.5556(7) 0.9056(6) 0.2009(4) 0.030(2) Uani 1 1 d . . . H49 H 0.4933 0.9411 0.1968 0.036 Uiso 1 1 calc R . . C50 C 0.8402(7) 0.7479(6) 0.2185(4) 0.034(2) Uani 1 1 d . . . H50A H 0.8265 0.6906 0.2197 0.051 Uiso 1 1 calc R . . H50B H 0.8734 0.7452 0.2540 0.051 Uiso 1 1 calc R . . C51 C 0.9142(7) 0.7851(6) 0.1691(4) 0.030(2) Uani 1 1 d . . . C52 C 0.9389(7) 0.7463(6) 0.1282(4) 0.036(3) Uani 1 1 d . . . H52 H 0.9170 0.6923 0.1326 0.043 Uiso 1 1 calc R . . C53 C 0.9965(8) 0.7883(7) 0.0806(4) 0.037(3) Uani 1 1 d . . . C54 C 1.0251(7) 0.8669(6) 0.0715(4) 0.036(3) Uani 1 1 d . . . H54 H 1.0619 0.8939 0.0379 0.043 Uiso 1 1 calc R . . C55 C 1.0008(7) 0.9079(6) 0.1111(4) 0.032(2) Uani 1 1 d . . . C56 C 0.9506(7) 0.8648(6) 0.1613(4) 0.025(2) Uani 1 1 d . . . C57 C 1.0218(7) 0.9989(6) 0.1011(4) 0.035(2) Uani 1 1 d . . . H57A H 1.0625 1.0042 0.1324 0.052 Uiso 1 1 calc R . . H57B H 1.0632 1.0197 0.0659 0.052 Uiso 1 1 calc R . . C58 C 0.9184(7) 1.0491(6) 0.0974(4) 0.030(2) Uani 1 1 d . . . C59 C 0.8412(7) 1.0414(6) 0.0624(4) 0.029(2) Uani 1 1 d . . . H59 H 0.8570 1.0079 0.0384 0.035 Uiso 1 1 calc R . . C60 C 0.7426(7) 1.0807(5) 0.0613(4) 0.027(2) Uani 1 1 d . . . C61 C 0.6529(7) 1.0614(5) 0.0267(4) 0.021(2) Uiso 1 1 d . . . C62 C 0.7181(7) 1.1269(6) 0.0991(4) 0.030(2) Uani 1 1 d . . . H62 H 0.6493 1.1521 0.0997 0.036 Uiso 1 1 calc R . . C63 C 0.7912(7) 1.1366(6) 0.1353(4) 0.030(2) Uani 1 1 d . . . C64 C 0.8922(8) 1.0997(6) 0.1323(4) 0.032(2) Uani 1 1 d . . . C65 C 0.7599(8) 1.1777(7) 0.1794(4) 0.044(3) Uani 1 1 d . . . H65A H 0.7472 1.2384 0.1616 0.067 Uiso 1 1 calc R . . H65B H 0.8177 1.1685 0.2060 0.067 Uiso 1 1 calc R . . C66 C 0.6610(8) 1.1425(6) 0.2111(4) 0.035(2) Uani 1 1 d . . . C67 C 0.5658(10) 1.1878(7) 0.2014(5) 0.054(3) Uani 1 1 d . . . H67 H 0.5627 1.2444 0.1788 0.064 Uiso 1 1 calc R . . C68 C 0.4743(9) 1.1509(8) 0.2247(5) 0.048(3) Uani 1 1 d . . . C69 C 0.4792(8) 1.0681(7) 0.2568(4) 0.040(3) Uani 1 1 d . . . H69 H 0.4161 1.0430 0.2719 0.047 Uiso 1 1 calc R . . C70 C 0.5732(8) 1.0212(6) 0.2674(4) 0.036(3) Uani 1 1 d . . . C71 C 0.6653(7) 1.0612(7) 0.2472(4) 0.035(3) Uani 1 1 d . . . C72 C 0.5766(8) 0.9278(6) 0.2946(4) 0.040(3) Uani 1 1 d . . . H72A H 0.6267 0.9113 0.3257 0.060 Uiso 1 1 calc R . . H72B H 0.5065 0.9112 0.3103 0.060 Uiso 1 1 calc R . . C73 C 0.9908(10) 0.8736(9) 0.2524(5) 0.068(4) Uani 1 1 d . . . H73A H 0.9433 0.8672 0.2855 0.102 Uiso 1 1 calc R . . H73B H 1.0240 0.8179 0.2546 0.102 Uiso 1 1 calc R . . C74 C 1.0699(13) 0.9260(9) 0.2551(7) 0.091(5) Uani 1 1 d . . . H74A H 1.0426 0.9849 0.2417 0.137 Uiso 1 1 calc R . . H74B H 1.1304 0.9181 0.2308 0.137 Uiso 1 1 calc R . . C75 C 1.1052(13) 0.9037(10) 0.3174(6) 0.092(5) Uani 1 1 d . . . H75A H 1.1596 0.9402 0.3196 0.137 Uiso 1 1 calc R . . H75B H 1.1333 0.8456 0.3302 0.137 Uiso 1 1 calc R . . H75C H 1.0449 0.9115 0.3412 0.137 Uiso 1 1 calc R . . C76 C 1.0418(12) 1.1709(9) 0.1426(6) 0.083(5) Uani 1 1 d . . . H76A H 1.1016 1.1610 0.1681 0.125 Uiso 1 1 calc R . . H76B H 1.0693 1.1615 0.1074 0.125 Uiso 1 1 calc R . . C77 C 1.0058(14) 1.2540(10) 0.1305(7) 0.099(6) Uani 1 1 d . . . H77A H 0.9673 1.2634 0.1634 0.148 Uiso 1 1 calc R . . H77B H 0.9574 1.2692 0.0987 0.148 Uiso 1 1 calc R . . C78 C 1.1046(13) 1.3101(9) 0.1147(8) 0.113(7) Uani 1 1 d . . . H78A H 1.0803 1.3690 0.1058 0.170 Uiso 1 1 calc R . . H78B H 1.1423 1.3005 0.0822 0.170 Uiso 1 1 calc R . . H78C H 1.1516 1.2953 0.1466 0.170 Uiso 1 1 calc R . . C79 C 0.7886(13) 1.0019(10) 0.3184(11) 0.144(10) Uani 1 1 d D . . H79A H 0.7252 0.9910 0.3430 0.216 Uiso 1 1 calc R . . H79B H 0.8386 0.9523 0.3299 0.216 Uiso 1 1 calc R . . C80 C 0.8361(14) 1.0745(10) 0.3230(7) 0.127(8) Uani 1 1 d D . . H80A H 0.7861 1.1241 0.3120 0.190 Uiso 1 1 calc R . . H80B H 0.8995 1.0856 0.2986 0.190 Uiso 1 1 calc R . . C81 C 0.8660(13) 1.0534(10) 0.3874(6) 0.092(5) Uani 1 1 d D . . H81A H 0.8991 1.1006 0.3928 0.139 Uiso 1 1 calc R . . H81B H 0.9150 1.0038 0.3977 0.139 Uiso 1 1 calc R . . H81C H 0.8024 1.0428 0.4111 0.139 Uiso 1 1 calc R . . C82 C 0.7269(9) 0.7346(7) 0.3466(4) 0.051(3) Uani 1 1 d . . . H82A H 0.7293 0.6895 0.3290 0.077 Uiso 1 1 calc R . . H82B H 0.6545 0.7420 0.3608 0.077 Uiso 1 1 calc R . . C83 C 0.7994(11) 0.7115(7) 0.3934(5) 0.062(4) Uani 1 1 d . . . H83A H 0.8717 0.7070 0.3783 0.093 Uiso 1 1 calc R . . H83B H 0.7837 0.6559 0.4186 0.093 Uiso 1 1 calc R . . C84 C 0.7956(15) 0.7700(9) 0.4267(5) 0.099(6) Uani 1 1 d . . . H84A H 0.8469 0.7504 0.4565 0.149 Uiso 1 1 calc R . . H84B H 0.7252 0.7733 0.4434 0.149 Uiso 1 1 calc R . . H84C H 0.8120 0.8253 0.4024 0.149 Uiso 1 1 calc R . . C200 C 0.3492(10) 1.2775(7) 0.0082(6) 0.056(3) Uani 1 1 d . . . C201 C 0.2712(10) 1.2457(8) -0.0138(5) 0.058(3) Uani 1 1 d . . . H201 H 0.2396 1.2785 -0.0477 0.069 Uiso 1 1 calc R . . C202 C 0.2382(9) 1.1664(8) 0.0127(5) 0.053(3) Uani 1 1 d . . . H202 H 0.1826 1.1459 -0.0020 0.063 Uiso 1 1 calc R . . C203 C 0.2870(9) 1.1190(7) 0.0599(5) 0.047(3) Uani 1 1 d . . . H203 H 0.2667 1.0639 0.0772 0.056 Uiso 1 1 calc R . . C204 C 0.3650(9) 1.1478(7) 0.0838(5) 0.053(3) Uani 1 1 d . . . H204 H 0.3965 1.1147 0.1176 0.063 Uiso 1 1 calc R . . C205 C 0.3958(10) 1.2279(8) 0.0559(6) 0.060(4) Uani 1 1 d . . . H205 H 0.4511 1.2484 0.0707 0.072 Uiso 1 1 calc R . . C206 C 0.3851(11) 1.3645(8) -0.0198(7) 0.086(5) Uani 1 1 d . . . H20A H 0.4458 1.3731 -0.0003 0.129 Uiso 1 1 calc R . . H20B H 0.3280 1.4059 -0.0182 0.129 Uiso 1 1 calc R . . H20C H 0.4048 1.3705 -0.0590 0.129 Uiso 1 1 calc R . . C300 C 0.5763(10) -0.0710(8) 0.5743(5) 0.102(6) Uani 1 1 d GD . . C301 C 0.6367(12) -0.1232(7) 0.5500(5) 0.116(7) Uani 1 1 d GD . . H301 H 0.6038 -0.1601 0.5351 0.139 Uiso 1 1 calc R . . C302 C 0.7453(12) -0.1215(7) 0.5473(5) 0.110(6) Uani 1 1 d G . . H302 H 0.7865 -0.1572 0.5307 0.131 Uiso 1 1 calc R . . C303 C 0.7934(10) -0.0676(10) 0.5690(6) 0.135(8) Uani 1 1 d G . . H303 H 0.8676 -0.0664 0.5672 0.162 Uiso 1 1 calc R . . C304 C 0.7330(14) -0.0154(9) 0.5934(6) 0.191(15) Uani 1 1 d G . . H304 H 0.7659 0.0215 0.6082 0.229 Uiso 1 1 calc R . . C305 C 0.6244(14) -0.0171(7) 0.5960(5) 0.160(11) Uani 1 1 d GD . . H305 H 0.5832 0.0186 0.6127 0.192 Uiso 1 1 calc R . . C306 C 0.4569(13) -0.0722(14) 0.5774(9) 0.150(9) Uani 1 1 d D . . H30C H 0.4344 -0.1022 0.5526 0.226 Uiso 1 1 calc R . . H30D H 0.4256 -0.0149 0.5656 0.226 Uiso 1 1 calc R . . H30E H 0.4343 -0.1002 0.6160 0.226 Uiso 1 1 calc R . . C400 C 0.7657(11) 0.4264(10) 0.0490(7) 0.187(11) Uiso 1 1 d GD . . C401 C 0.7615(11) 0.4130(9) 0.1065(7) 0.131(7) Uiso 1 1 d GD . . H401 H 0.7159 0.3744 0.1296 0.157 Uiso 1 1 calc R . . C402 C 0.8241(13) 0.4562(10) 0.1302(5) 0.226(14) Uiso 1 1 d G . . H402 H 0.8213 0.4471 0.1695 0.271 Uiso 1 1 calc R . . C403 C 0.8909(11) 0.5128(10) 0.0963(8) 0.136(7) Uiso 1 1 d G . . H403 H 0.9337 0.5423 0.1125 0.163 Uiso 1 1 calc R . . C404 C 0.8951(11) 0.5261(9) 0.0388(7) 0.202(12) Uiso 1 1 d G . . H404 H 0.9408 0.5648 0.0157 0.242 Uiso 1 1 calc R . . C405 C 0.8325(13) 0.4829(10) 0.0151(5) 0.147(8) Uiso 1 1 d GD . . H405 H 0.8354 0.4921 -0.0242 0.176 Uiso 1 1 calc R . . C406 C 0.6989(18) 0.3838(15) 0.0235(14) 0.235(18) Uani 1 1 d 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 0.0262(4) 0.0289(4) 0.0137(4) -0.0013(3) 0.0029(3) -0.0073(3) Br1 0.0950(11) 0.0749(9) 0.0508(8) -0.0356(8) 0.0017(7) -0.0166(8) Br2 0.0614(9) 0.0983(11) 0.0691(9) -0.0322(8) 0.0148(7) -0.0429(8) O1 0.034(4) 0.038(4) 0.019(4) -0.007(3) 0.011(3) -0.017(3) O2 0.034(4) 0.036(4) 0.016(3) -0.007(3) 0.005(3) -0.011(3) O3 0.027(4) 0.031(4) 0.021(4) -0.003(3) 0.000(3) -0.006(3) O4 0.026(3) 0.031(4) 0.015(3) 0.005(3) 0.004(3) 0.007(3) O5 0.031(4) 0.045(4) 0.015(4) 0.007(3) 0.008(3) -0.001(3) O6 0.034(4) 0.041(4) 0.021(4) -0.006(3) 0.002(3) -0.006(3) O7 0.031(4) 0.047(4) 0.039(4) -0.014(4) 0.007(3) 0.001(3) O8 0.030(4) 0.044(4) 0.046(5) -0.018(4) 0.002(3) -0.010(3) C1 0.023(5) 0.028(5) 0.010(5) 0.006(4) 0.002(4) 0.003(5) C2 0.028(5) 0.029(5) 0.022(5) -0.004(5) 0.001(4) 0.001(5) C3 0.027(5) 0.031(5) 0.022(5) 0.004(5) -0.001(5) -0.007(5) C4 0.019(5) 0.035(6) 0.031(6) 0.002(5) 0.001(5) -0.006(4) C5 0.032(6) 0.036(6) 0.009(5) 0.003(5) 0.005(5) 0.006(5) C6 0.026(5) 0.039(6) 0.015(5) 0.005(5) 0.002(4) -0.003(5) C7 0.022(5) 0.036(6) 0.022(6) 0.000(5) 0.001(4) -0.004(4) C8 0.036(6) 0.031(5) 0.030(6) -0.009(5) 0.011(5) -0.010(5) C9 0.032(6) 0.040(6) 0.028(6) 0.002(5) 0.001(5) 0.002(5) C10 0.035(6) 0.039(6) 0.036(7) -0.010(6) 0.010(6) -0.019(5) C11 0.038(6) 0.042(7) 0.024(6) -0.011(5) 0.013(5) -0.016(5) C12 0.035(6) 0.045(7) 0.026(6) -0.005(5) -0.009(5) -0.009(5) C13 0.024(5) 0.041(6) 0.023(6) 0.001(5) 0.000(5) -0.005(5) C14 0.039(6) 0.038(6) 0.017(6) -0.010(5) 0.012(5) -0.016(5) C15 0.024(5) 0.045(6) 0.026(6) -0.008(5) 0.002(5) -0.003(5) C16 0.030(6) 0.032(6) 0.015(5) 0.006(5) -0.001(5) 0.007(5) C17 0.022(5) 0.033(5) 0.020(5) -0.008(5) -0.005(4) 0.001(4) C18 0.025(5) 0.024(5) 0.025(5) -0.006(5) 0.003(4) 0.001(4) C20 0.025(5) 0.033(6) 0.029(6) -0.003(5) 0.006(5) -0.006(4) C21 0.043(6) 0.023(5) 0.023(6) -0.003(5) -0.004(5) 0.001(5) C22 0.024(5) 0.032(6) 0.028(6) -0.002(5) 0.003(5) 0.005(5) C23 0.043(6) 0.037(6) 0.029(6) -0.011(5) 0.006(5) -0.001(5) C24 0.042(6) 0.030(6) 0.035(6) -0.017(5) 0.015(5) -0.002(5) C25 0.055(8) 0.045(7) 0.025(6) -0.006(5) 0.014(6) -0.008(6) C26 0.035(7) 0.069(9) 0.032(6) -0.023(7) 0.015(6) -0.033(6) C27 0.028(6) 0.064(8) 0.026(6) -0.015(6) 0.003(5) -0.005(6) C28 0.033(6) 0.051(7) 0.019(5) -0.015(5) 0.006(5) -0.010(5) C29 0.029(6) 0.047(7) 0.029(6) -0.017(6) 0.016(5) -0.012(5) C30 0.043(6) 0.058(7) 0.017(5) -0.012(5) 0.003(5) -0.001(6) C31 0.047(7) 0.052(7) 0.032(7) 0.020(6) 0.007(6) -0.001(6) C32 0.082(10) 0.056(8) 0.053(8) 0.012(7) 0.032(8) -0.015(7) C33 0.172(17) 0.062(9) 0.055(9) -0.007(8) 0.061(11) -0.013(10) C34 0.051(8) 0.075(9) 0.062(9) -0.031(7) 0.013(7) -0.011(7) C35 0.075(10) 0.070(9) 0.081(11) -0.019(8) 0.026(9) -0.017(8) C36 0.088(10) 0.084(10) 0.072(10) -0.037(8) 0.045(8) -0.030(8) C37 0.032(6) 0.055(7) 0.055(8) -0.014(7) 0.000(6) 0.013(6) C38 0.060(9) 0.127(13) 0.086(12) -0.060(11) 0.001(8) 0.030(9) C39 0.148(17) 0.20(2) 0.076(12) -0.099(15) 0.009(12) 0.004(15) C40 0.063(8) 0.072(9) 0.078(10) -0.031(8) 0.027(8) -0.035(7) C41 0.110(12) 0.074(10) 0.051(9) -0.012(8) 0.021(9) -0.012(9) C42 0.098(11) 0.077(10) 0.054(9) -0.015(8) 0.031(8) -0.005(8) C100 0.048(7) 0.047(7) 0.046(8) -0.004(7) -0.007(6) -0.005(6) C101 0.107(12) 0.072(10) 0.038(8) -0.022(8) 0.023(8) -0.045(9) C102 0.066(8) 0.068(9) 0.054(9) -0.036(8) -0.007(7) 0.009(7) C103 0.075(9) 0.039(7) 0.057(9) -0.020(7) -0.014(7) -0.012(7) C104 0.062(8) 0.058(9) 0.050(8) -0.012(7) 0.002(7) -0.023(7) C105 0.056(8) 0.055(9) 0.068(9) -0.022(8) 0.005(7) -0.013(7) C106 0.099(12) 0.088(12) 0.073(11) -0.020(9) 0.000(9) -0.016(9) Rh2 0.0256(4) 0.0274(4) 0.0147(4) 0.0012(3) -0.0001(3) 0.0010(3) Br3 0.0779(9) 0.0710(9) 0.0464(8) -0.0297(7) 0.0077(7) -0.0006(7) Br4 0.0604(8) 0.0677(9) 0.0753(10) -0.0295(8) -0.0034(7) 0.0196(7) O9 0.039(4) 0.027(4) 0.009(3) 0.008(3) -0.005(3) 0.001(3) O10 0.040(4) 0.025(3) 0.014(3) -0.001(3) 0.000(3) -0.002(3) O11 0.029(4) 0.025(3) 0.027(4) -0.005(3) 0.001(3) 0.005(3) O12 0.029(4) 0.029(4) 0.018(3) 0.006(3) -0.001(3) -0.009(3) O13 0.041(4) 0.041(4) 0.024(4) -0.006(3) 0.004(3) -0.004(3) O14 0.039(4) 0.053(5) 0.049(5) -0.013(4) -0.011(4) -0.019(4) O15 0.040(4) 0.052(5) 0.025(4) -0.009(4) -0.008(4) 0.008(4) O16 0.039(4) 0.039(4) 0.016(4) 0.009(3) -0.002(3) -0.011(3) C43 0.028(5) 0.025(5) 0.022(6) 0.001(5) -0.002(5) 0.001(5) C44 0.023(5) 0.022(5) 0.021(6) 0.004(4) -0.003(4) 0.008(4) C45 0.036(6) 0.029(5) 0.013(5) 0.000(4) -0.001(5) -0.011(5) C46 0.031(5) 0.024(5) 0.020(6) 0.006(5) 0.004(5) -0.009(4) C47 0.032(6) 0.034(6) 0.016(5) 0.004(5) -0.004(5) -0.016(5) C48 0.036(6) 0.030(5) 0.007(5) 0.006(4) -0.003(5) -0.006(5) C49 0.024(5) 0.030(5) 0.028(6) 0.002(5) 0.003(5) -0.002(4) C50 0.040(6) 0.031(6) 0.021(6) 0.005(5) -0.005(5) -0.003(5) C51 0.031(6) 0.035(6) 0.017(5) 0.002(5) -0.011(5) 0.002(5) C52 0.032(6) 0.036(6) 0.037(7) -0.009(5) -0.002(5) 0.001(5) C53 0.039(6) 0.052(7) 0.021(6) -0.015(5) -0.010(5) 0.012(5) C54 0.031(6) 0.042(7) 0.033(6) -0.009(5) 0.003(5) 0.001(5) C55 0.025(5) 0.032(6) 0.033(6) 0.002(5) -0.005(5) 0.001(5) C56 0.019(5) 0.035(6) 0.022(5) -0.009(5) -0.003(4) -0.001(4) C57 0.030(6) 0.035(6) 0.033(6) 0.001(5) 0.001(5) -0.010(5) C58 0.027(6) 0.028(5) 0.027(6) 0.004(5) 0.001(5) -0.008(5) C59 0.026(5) 0.026(5) 0.027(6) 0.004(5) 0.006(5) -0.005(4) C60 0.028(6) 0.025(5) 0.022(5) 0.002(5) 0.000(4) -0.006(4) C62 0.026(5) 0.027(5) 0.033(6) -0.006(5) 0.007(5) 0.000(4) C63 0.025(6) 0.031(6) 0.037(6) -0.011(5) 0.005(5) -0.016(5) C64 0.037(6) 0.027(5) 0.029(6) 0.001(5) -0.009(5) -0.013(5) C65 0.054(7) 0.050(7) 0.036(6) -0.020(6) -0.002(6) -0.015(6) C66 0.035(6) 0.044(7) 0.025(6) -0.009(6) -0.002(5) 0.002(5) C67 0.077(9) 0.045(7) 0.031(7) -0.001(6) -0.007(7) 0.004(7) C68 0.047(7) 0.069(9) 0.033(7) -0.023(7) -0.001(6) -0.001(6) C69 0.034(6) 0.053(7) 0.035(7) -0.019(6) 0.000(5) -0.003(6) C70 0.042(7) 0.043(6) 0.022(6) -0.009(5) 0.001(5) -0.006(5) C71 0.028(6) 0.053(7) 0.029(6) -0.019(6) -0.004(5) 0.001(5) C72 0.041(6) 0.045(7) 0.031(6) -0.008(5) 0.008(5) -0.004(5) C73 0.072(9) 0.089(10) 0.053(9) -0.033(8) -0.017(7) -0.013(8) C74 0.114(13) 0.064(10) 0.095(13) -0.017(9) -0.026(10) -0.012(9) C75 0.118(13) 0.098(12) 0.073(11) -0.046(10) -0.050(10) 0.021(10) C76 0.106(12) 0.076(11) 0.087(11) -0.048(9) 0.025(9) -0.040(10) C77 0.133(15) 0.096(13) 0.069(11) -0.033(10) 0.039(10) -0.011(11) C78 0.122(14) 0.065(10) 0.155(17) -0.037(11) 0.070(13) -0.046(10) C79 0.063(11) 0.061(11) 0.27(3) -0.001(15) -0.032(15) 0.011(9) C80 0.090(13) 0.086(13) 0.16(2) 0.030(13) -0.005(13) -0.004(11) C81 0.120(13) 0.089(11) 0.063(10) -0.005(9) -0.053(10) -0.023(10) C82 0.064(8) 0.048(7) 0.023(6) 0.021(6) -0.010(6) -0.020(6) C83 0.090(10) 0.050(8) 0.031(7) 0.013(6) -0.021(7) 0.004(7) C84 0.199(19) 0.063(9) 0.032(8) -0.005(7) -0.025(10) -0.011(11) C200 0.052(8) 0.031(6) 0.073(10) -0.004(7) 0.014(7) 0.003(6) C201 0.084(10) 0.057(8) 0.029(7) -0.012(6) -0.004(7) 0.011(7) C202 0.056(8) 0.063(8) 0.050(8) -0.033(7) 0.010(7) -0.008(7) C203 0.049(7) 0.048(7) 0.037(7) -0.007(6) 0.001(6) 0.008(6) C204 0.051(7) 0.051(8) 0.048(8) -0.008(7) -0.001(6) 0.012(6) C205 0.052(8) 0.048(8) 0.082(11) -0.027(8) 0.005(8) 0.006(6) C206 0.085(11) 0.060(9) 0.100(12) -0.008(9) 0.027(9) -0.010(8) C300 0.169(19) 0.074(11) 0.045(9) 0.004(8) 0.019(11) -0.006(12) C301 0.18(2) 0.078(12) 0.093(14) -0.038(11) -0.034(14) 0.006(14) C302 0.17(2) 0.086(13) 0.063(11) -0.008(10) -0.003(12) -0.032(14) C303 0.20(2) 0.125(17) 0.098(15) -0.045(14) 0.018(15) -0.063(17) C304 0.22(3) 0.26(3) 0.16(2) -0.14(2) 0.07(2) -0.17(3) C305 0.31(4) 0.103(15) 0.092(15) -0.057(13) 0.078(19) -0.079(19) C306 0.17(2) 0.142(19) 0.119(19) -0.017(15) 0.018(16) 0.020(17) C406 0.20(3) 0.17(2) 0.40(5) -0.20(3) -0.16(3) 0.12(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh1 O3 2.009(6) . ? Rh1 O1 2.035(6) . ? Rh1 O4 2.039(6) . ? Rh1 O2 2.043(6) . ? Rh1 Rh1 2.3992(15) 2_566 ? Rh1 C103 2.580(10) . ? Br1 C11 1.905(9) . ? Br2 C26 1.910(9) . ? O1 C1 1.273(10) 2_566 ? O2 C1 1.272(10) . ? O3 C19 1.254(10) 2_566 ? O4 C19 1.208(10) . ? O5 C5 1.399(10) . ? O5 C31 1.419(12) . ? O6 C14 1.367(11) . ? O6 C34 1.483(12) . ? O7 C22 1.381(10) . ? O7 C37 1.432(13) . ? O8 C29 1.379(10) . ? O8 C40 1.458(13) . ? C1 O1 1.273(10) 2_566 ? C1 C2 1.524(12) . ? C2 C7 1.366(13) . ? C2 C3 1.383(12) . ? C3 C4 1.405(12) . ? C4 C5 1.382(13) . ? C4 C8 1.547(12) . ? C5 C6 1.393(13) . ? C6 C7 1.413(12) . ? C6 C30 1.516(13) . ? C8 C9 1.499(14) . ? C9 C10 1.371(14) . ? C9 C14 1.415(14) . ? C10 C11 1.376(15) . ? C11 C12 1.371(14) . ? C12 C13 1.390(13) . ? C13 C14 1.404(14) . ? C13 C15 1.515(14) . ? C15 C16 1.523(13) . ? C16 C17 1.390(12) . ? C16 C22 1.406(13) . ? C17 C18 1.359(12) . ? C18 C20 1.384(13) . ? C18 C19 1.598(12) . ? C19 O3 1.254(10) 2_566 ? C20 C21 1.385(13) . ? C21 C22 1.392(13) . ? C21 C23 1.524(13) . ? C23 C24 1.509(15) . ? C24 C29 1.391(14) . ? C24 C25 1.398(14) . ? C25 C26 1.352(15) . ? C26 C27 1.381(15) . ? C27 C28 1.372(13) . ? C28 C29 1.404(14) . ? C28 C30 1.512(14) . ? C31 C32 1.525(14) . ? C32 C33 1.447(17) . ? C34 C35 1.412(18) . ? C35 C36 1.554(17) . ? C37 C38 1.475(15) . ? C38 C39 1.459(19) . ? C40 C41 1.470(19) . ? C41 C42 1.577(17) . ? C100 C101 1.371(17) . ? C100 C105 1.388(16) . ? C100 C106 1.486(18) . ? C101 C102 1.357(18) . ? C102 C103 1.398(17) . ? C103 C104 1.355(16) . ? C104 C105 1.343(17) . ? Rh2 O11 2.025(6) . ? Rh2 O10 2.032(6) 2_675 ? Rh2 O12 2.038(6) 2_675 ? Rh2 O9 2.040(6) . ? Rh2 Rh2 2.3954(15) 2_675 ? Rh2 C203 2.604(10) . ? Br3 C53 1.915(9) . ? Br4 C68 1.876(12) . ? O9 C43 1.275(11) . ? O10 C43 1.259(10) . ? O10 Rh2 2.032(6) 2_675 ? O11 C61 1.259(10) . ? O12 C61 1.201(10) . ? O12 Rh2 2.038(6) 2_675 ? O13 C56 1.372(10) . ? O13 C73 1.478(14) . ? O14 C64 1.400(11) . ? O14 C76 1.432(14) . ? O15 C71 1.350(12) . ? O15 C79 1.50(2) . ? O16 C47 1.389(11) . ? O16 C82 1.441(11) . ? C43 C44 1.484(13) . ? C44 C49 1.395(13) . ? C44 C45 1.409(13) . ? C45 C46 1.374(13) . ? C46 C47 1.409(13) . ? C46 C50 1.514(13) . ? C47 C48 1.377(14) . ? C48 C49 1.410(13) . ? C48 C72 1.515(13) . ? C50 C51 1.528(12) . ? C51 C52 1.389(13) . ? C51 C56 1.416(13) . ? C52 C53 1.400(14) . ? C53 C54 1.355(14) . ? C54 C55 1.388(13) . ? C55 C56 1.403(13) . ? C55 C57 1.525(13) . ? C57 C58 1.507(13) . ? C58 C59 1.391(13) . ? C58 C64 1.413(13) . ? C59 C60 1.377(13) . ? C60 C62 1.411(12) . ? C60 C61 1.583(12) . ? C62 C63 1.385(13) . ? C63 C64 1.400(14) . ? C63 C65 1.502(13) . ? C65 C66 1.525(13) . ? C66 C67 1.378(15) . ? C66 C71 1.394(14) . ? C67 C68 1.389(15) . ? C68 C69 1.384(16) . ? C69 C70 1.378(14) . ? C70 C71 1.402(13) . ? C70 C72 1.515(14) . ? C73 C74 1.413(17) . ? C74 C75 1.569(19) . ? C76 C77 1.39(2) . ? C77 C78 1.60(2) . ? C79 C80 1.451(16) . ? C80 C81 1.601(15) . ? C82 C83 1.466(16) . ? C83 C84 1.475(17) . ? C200 C205 1.364(18) . ? C200 C201 1.382(17) . ? C200 C206 1.522(16) . ? C201 C202 1.392(16) . ? C202 C203 1.358(16) . ? C203 C204 1.380(16) . ? C204 C205 1.398(16) . ? C300 C301 1.3900 . ? C300 C305 1.3900 . ? C300 C306 1.528(14) . ? C301 C302 1.3900 . ? C302 C303 1.3900 . ? C303 C304 1.3900 . ? C304 C305 1.3900 . ? C400 C401 1.3900 . ? C400 C405 1.3900 . ? C400 C406 1.445(15) . ? C401 C402 1.3900 . ? C402 C403 1.3900 . ? C403 C404 1.3900 . ? C404 C405 1.3900 . ? 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 O3 Rh1 O1 83.8(2) . . ? O3 Rh1 O4 175.8(2) . . ? O1 Rh1 O4 95.7(2) . . ? O3 Rh1 O2 96.3(2) . . ? O1 Rh1 O2 176.3(2) . . ? O4 Rh1 O2 84.0(2) . . ? O3 Rh1 Rh1 87.51(17) . 2_566 ? O1 Rh1 Rh1 88.82(17) . 2_566 ? O4 Rh1 Rh1 88.34(18) . 2_566 ? O2 Rh1 Rh1 87.45(17) . 2_566 ? O3 Rh1 C103 99.9(3) . . ? O1 Rh1 C103 83.9(3) . . ? O4 Rh1 C103 84.2(4) . . ? O2 Rh1 C103 99.8(3) . . ? Rh1 Rh1 C103 169.0(3) 2_566 . ? C1 O1 Rh1 116.2(5) 2_566 . ? C1 O2 Rh1 117.3(5) . . ? C19 O3 Rh1 115.0(6) 2_566 . ? C19 O4 Rh1 113.4(6) . . ? C5 O5 C31 112.9(7) . . ? C14 O6 C34 116.6(7) . . ? C22 O7 C37 112.9(7) . . ? C29 O8 C40 113.2(7) . . ? O2 C1 O1 125.9(7) . 2_566 ? O2 C1 C2 117.2(8) . . ? O1 C1 C2 116.9(8) 2_566 . ? C7 C2 C3 121.3(8) . . ? C7 C2 C1 119.0(8) . . ? C3 C2 C1 118.6(8) . . ? C2 C3 C4 119.3(9) . . ? C5 C4 C3 118.8(8) . . ? C5 C4 C8 122.4(8) . . ? C3 C4 C8 118.6(8) . . ? C4 C5 C6 122.5(8) . . ? C4 C5 O5 118.7(8) . . ? C6 C5 O5 118.6(8) . . ? C5 C6 C7 117.1(8) . . ? C5 C6 C30 123.2(8) . . ? C7 C6 C30 119.3(8) . . ? C2 C7 C6 120.8(8) . . ? C9 C8 C4 111.7(8) . . ? C10 C9 C14 118.1(10) . . ? C10 C9 C8 122.8(10) . . ? C14 C9 C8 118.8(9) . . ? C9 C10 C11 121.0(10) . . ? C12 C11 C10 121.6(9) . . ? C12 C11 Br1 118.8(8) . . ? C10 C11 Br1 119.6(8) . . ? C11 C12 C13 119.3(10) . . ? C12 C13 C14 119.3(9) . . ? C12 C13 C15 121.2(9) . . ? C14 C13 C15 119.2(8) . . ? O6 C14 C13 118.9(9) . . ? O6 C14 C9 120.5(9) . . ? C13 C14 C9 120.3(9) . . ? C13 C15 C16 109.9(8) . . ? C17 C16 C22 116.6(8) . . ? C17 C16 C15 120.5(8) . . ? C22 C16 C15 122.9(8) . . ? C18 C17 C16 122.6(8) . . ? C17 C18 C20 119.2(8) . . ? C17 C18 C19 119.7(8) . . ? C20 C18 C19 119.6(8) . . ? O4 C19 O3 132.5(8) . 2_566 ? O4 C19 C18 113.6(8) . . ? O3 C19 C18 113.9(8) 2_566 . ? C18 C20 C21 121.5(8) . . ? C20 C21 C22 117.6(8) . . ? C20 C21 C23 120.5(8) . . ? C22 C21 C23 121.7(8) . . ? O7 C22 C21 119.1(8) . . ? O7 C22 C16 118.5(8) . . ? C21 C22 C16 122.3(8) . . ? C24 C23 C21 111.9(8) . . ? C29 C24 C25 118.1(10) . . ? C29 C24 C23 120.4(9) . . ? C25 C24 C23 120.9(9) . . ? C26 C25 C24 119.5(10) . . ? C25 C26 C27 122.3(9) . . ? C25 C26 Br2 118.0(9) . . ? C27 C26 Br2 119.6(9) . . ? C28 C27 C26 119.6(10) . . ? C27 C28 C29 118.3(10) . . ? C27 C28 C30 121.5(10) . . ? C29 C28 C30 120.0(8) . . ? O8 C29 C24 120.0(9) . . ? O8 C29 C28 118.4(9) . . ? C24 C29 C28 121.5(9) . . ? C28 C30 C6 111.2(8) . . ? O5 C31 C32 109.2(9) . . ? C33 C32 C31 115.3(11) . . ? C35 C34 O6 113.4(11) . . ? C34 C35 C36 110.0(13) . . ? O7 C37 C38 110.6(10) . . ? C39 C38 C37 115.4(13) . . ? O8 C40 C41 112.7(11) . . ? C40 C41 C42 108.8(12) . . ? C101 C100 C105 116.2(12) . . ? C101 C100 C106 121.4(11) . . ? C105 C100 C106 122.0(12) . . ? C102 C101 C100 122.2(11) . . ? C101 C102 C103 120.1(12) . . ? C104 C103 C102 117.7(12) . . ? C104 C103 Rh1 92.6(8) . . ? C102 C103 Rh1 94.4(8) . . ? C105 C104 C103 121.6(12) . . ? C104 C105 C100 122.0(12) . . ? O11 Rh2 O10 96.1(2) . 2_675 ? O11 Rh2 O12 176.0(2) . 2_675 ? O10 Rh2 O12 83.5(2) 2_675 2_675 ? O11 Rh2 O9 83.8(2) . . ? O10 Rh2 O9 176.0(2) 2_675 . ? O12 Rh2 O9 96.2(2) 2_675 . ? O11 Rh2 Rh2 87.34(16) . 2_675 ? O10 Rh2 Rh2 87.39(18) 2_675 2_675 ? O12 Rh2 Rh2 88.64(18) 2_675 2_675 ? O9 Rh2 Rh2 88.62(18) . 2_675 ? O11 Rh2 C203 102.0(3) . . ? O10 Rh2 C203 95.1(3) 2_675 . ? O12 Rh2 C203 82.0(3) 2_675 . ? O9 Rh2 C203 88.8(3) . . ? Rh2 Rh2 C203 170.0(3) 2_675 . ? C43 O9 Rh2 116.4(6) . . ? C43 O10 Rh2 118.5(6) . 2_675 ? C61 O11 Rh2 114.2(5) . . ? C61 O12 Rh2 113.3(5) . 2_675 ? C56 O13 C73 115.9(8) . . ? C64 O14 C76 116.3(9) . . ? C71 O15 C79 112.0(9) . . ? C47 O16 C82 113.3(7) . . ? O10 C43 O9 125.6(9) . . ? O10 C43 C44 117.9(8) . . ? O9 C43 C44 116.5(8) . . ? C49 C44 C45 118.1(9) . . ? C49 C44 C43 120.6(8) . . ? C45 C44 C43 120.6(8) . . ? C46 C45 C44 121.5(8) . . ? C45 C46 C47 118.7(9) . . ? C45 C46 C50 120.8(8) . . ? C47 C46 C50 120.4(9) . . ? C48 C47 O16 118.8(8) . . ? C48 C47 C46 122.0(9) . . ? O16 C47 C46 119.0(9) . . ? C47 C48 C49 117.9(8) . . ? C47 C48 C72 122.7(9) . . ? C49 C48 C72 119.1(9) . . ? C44 C49 C48 121.7(9) . . ? C46 C50 C51 110.1(8) . . ? C52 C51 C56 118.4(8) . . ? C52 C51 C50 121.7(8) . . ? C56 C51 C50 119.7(8) . . ? C51 C52 C53 118.9(9) . . ? C54 C53 C52 122.5(9) . . ? C54 C53 Br3 119.2(7) . . ? C52 C53 Br3 118.3(8) . . ? C53 C54 C55 120.2(9) . . ? C54 C55 C56 118.4(8) . . ? C54 C55 C57 122.8(9) . . ? C56 C55 C57 118.8(8) . . ? O13 C56 C55 119.1(8) . . ? O13 C56 C51 119.4(7) . . ? C55 C56 C51 121.2(8) . . ? C58 C57 C55 108.7(7) . . ? C59 C58 C64 117.4(9) . . ? C59 C58 C57 120.4(9) . . ? C64 C58 C57 122.0(9) . . ? C60 C59 C58 122.1(9) . . ? C59 C60 C62 118.5(9) . . ? C59 C60 C61 120.4(8) . . ? C62 C60 C61 120.1(8) . . ? O12 C61 O11 132.6(8) . . ? O12 C61 C60 115.2(8) . . ? O11 C61 C60 112.2(8) . . ? C63 C62 C60 122.2(9) . . ? C62 C63 C64 117.1(8) . . ? C62 C63 C65 121.0(9) . . ? C64 C63 C65 121.7(9) . . ? C63 C64 O14 118.4(9) . . ? C63 C64 C58 122.5(8) . . ? O14 C64 C58 119.0(9) . . ? C63 C65 C66 110.7(8) . . ? C67 C66 C71 119.3(9) . . ? C67 C66 C65 120.8(10) . . ? C71 C66 C65 119.7(9) . . ? C66 C67 C68 120.1(11) . . ? C69 C68 C67 119.7(11) . . ? C69 C68 Br4 119.2(8) . . ? C67 C68 Br4 121.1(9) . . ? C70 C69 C68 121.6(10) . . ? C69 C70 C71 117.8(10) . . ? C69 C70 C72 121.1(9) . . ? C71 C70 C72 120.7(9) . . ? O15 C71 C66 118.7(9) . . ? O15 C71 C70 120.3(10) . . ? C66 C71 C70 120.8(10) . . ? C48 C72 C70 109.4(8) . . ? C74 C73 O13 114.3(12) . . ? C73 C74 C75 109.0(13) . . ? C77 C76 O14 117.3(13) . . ? C76 C77 C78 108.6(14) . . ? C80 C79 O15 107.9(15) . . ? C79 C80 C81 106.2(15) . . ? O16 C82 C83 110.1(9) . . ? C82 C83 C84 114.9(12) . . ? C205 C200 C201 118.1(11) . . ? C205 C200 C206 120.0(13) . . ? C201 C200 C206 121.9(14) . . ? C200 C201 C202 121.2(13) . . ? C203 C202 C201 118.6(12) . . ? C202 C203 C204 122.4(11) . . ? C202 C203 Rh2 101.2(7) . . ? C204 C203 Rh2 85.2(7) . . ? C203 C204 C205 117.2(13) . . ? C200 C205 C204 122.4(12) . . ? C301 C300 C305 120.0 . . ? C301 C300 C306 120.5(12) . . ? C305 C300 C306 119.5(12) . . ? C302 C301 C300 120.0 . . ? C301 C302 C303 120.0 . . ? C304 C303 C302 120.0 . . ? C303 C304 C305 120.0 . . ? C304 C305 C300 120.0 . . ? C401 C400 C405 120.0 . . ? C401 C400 C406 120.7(16) . . ? C405 C400 C406 119.3(16) . . ? C400 C401 C402 120.0 . . ? C403 C402 C401 120.0 . . ? C402 C403 C404 120.0 . . ? C403 C404 C405 120.0 . . ? C404 C405 C400 120.0 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3 Rh1 O1 C1 76.5(6) . . . 2_566 ? O4 Rh1 O1 C1 -99.3(6) . . . 2_566 ? O2 Rh1 O1 C1 -14(4) . . . 2_566 ? Rh1 Rh1 O1 C1 -11.1(6) 2_566 . . 2_566 ? C103 Rh1 O1 C1 177.2(7) . . . 2_566 ? O3 Rh1 O2 C1 -98.0(6) . . . . ? O1 Rh1 O2 C1 -8(4) . . . . ? O4 Rh1 O2 C1 77.8(6) . . . . ? Rh1 Rh1 O2 C1 -10.8(6) 2_566 . . . ? C103 Rh1 O2 C1 160.8(7) . . . . ? O1 Rh1 O3 C19 -80.7(6) . . . 2_566 ? O4 Rh1 O3 C19 3(4) . . . 2_566 ? O2 Rh1 O3 C19 95.6(6) . . . 2_566 ? Rh1 Rh1 O3 C19 8.4(6) 2_566 . . 2_566 ? C103 Rh1 O3 C19 -163.3(6) . . . 2_566 ? O3 Rh1 O4 C19 15(4) . . . . ? O1 Rh1 O4 C19 98.2(6) . . . . ? O2 Rh1 O4 C19 -78.1(6) . . . . ? Rh1 Rh1 O4 C19 9.5(6) 2_566 . . . ? C103 Rh1 O4 C19 -178.6(7) . . . . ? Rh1 O2 C1 O1 24.7(12) . . . 2_566 ? Rh1 O2 C1 C2 -154.0(6) . . . . ? O2 C1 C2 C7 173.5(9) . . . . ? O1 C1 C2 C7 -5.3(13) 2_566 . . . ? O2 C1 C2 C3 5.7(13) . . . . ? O1 C1 C2 C3 -173.1(8) 2_566 . . . ? C7 C2 C3 C4 3.0(14) . . . . ? C1 C2 C3 C4 170.5(9) . . . . ? C2 C3 C4 C5 0.4(14) . . . . ? C2 C3 C4 C8 -176.0(9) . . . . ? C3 C4 C5 C6 -3.1(15) . . . . ? C8 C4 C5 C6 173.2(9) . . . . ? C3 C4 C5 O5 -179.4(8) . . . . ? C8 C4 C5 O5 -3.1(14) . . . . ? C31 O5 C5 C4 -87.4(11) . . . . ? C31 O5 C5 C6 96.2(10) . . . . ? C4 C5 C6 C7 2.3(14) . . . . ? O5 C5 C6 C7 178.6(8) . . . . ? C4 C5 C6 C30 -169.9(10) . . . . ? O5 C5 C6 C30 6.4(14) . . . . ? C3 C2 C7 C6 -3.7(15) . . . . ? C1 C2 C7 C6 -171.2(9) . . . . ? C5 C6 C7 C2 1.1(14) . . . . ? C30 C6 C7 C2 173.7(10) . . . . ? C5 C4 C8 C9 -124.7(10) . . . . ? C3 C4 C8 C9 51.6(12) . . . . ? C4 C8 C9 C10 -109.9(10) . . . . ? C4 C8 C9 C14 63.5(11) . . . . ? C14 C9 C10 C11 -2.0(13) . . . . ? C8 C9 C10 C11 171.4(8) . . . . ? C9 C10 C11 C12 -3.5(14) . . . . ? C9 C10 C11 Br1 176.8(7) . . . . ? C10 C11 C12 C13 4.0(13) . . . . ? Br1 C11 C12 C13 -176.3(7) . . . . ? C11 C12 C13 C14 0.9(13) . . . . ? C11 C12 C13 C15 -173.2(8) . . . . ? C34 O6 C14 C13 -111.3(10) . . . . ? C34 O6 C14 C9 75.9(11) . . . . ? C12 C13 C14 O6 -179.1(8) . . . . ? C15 C13 C14 O6 -4.9(12) . . . . ? C12 C13 C14 C9 -6.3(13) . . . . ? C15 C13 C14 C9 167.9(8) . . . . ? C10 C9 C14 O6 179.5(8) . . . . ? C8 C9 C14 O6 5.8(12) . . . . ? C10 C9 C14 C13 6.8(13) . . . . ? C8 C9 C14 C13 -166.9(8) . . . . ? C12 C13 C15 C16 110.8(10) . . . . ? C14 C13 C15 C16 -63.2(10) . . . . ? C13 C15 C16 C17 -51.3(11) . . . . ? C13 C15 C16 C22 124.7(10) . . . . ? C22 C16 C17 C18 1.0(14) . . . . ? C15 C16 C17 C18 177.2(9) . . . . ? C16 C17 C18 C20 -4.6(14) . . . . ? C16 C17 C18 C19 -170.9(9) . . . . ? Rh1 O4 C19 O3 -22.8(13) . . . 2_566 ? Rh1 O4 C19 C18 157.9(6) . . . . ? C17 C18 C19 O4 -9.3(13) . . . . ? C20 C18 C19 O4 -175.5(8) . . . . ? C17 C18 C19 O3 171.4(8) . . . 2_566 ? C20 C18 C19 O3 5.1(13) . . . 2_566 ? C17 C18 C20 C21 4.0(14) . . . . ? C19 C18 C20 C21 170.3(9) . . . . ? C18 C20 C21 C22 0.3(14) . . . . ? C18 C20 C21 C23 -173.4(9) . . . . ? C37 O7 C22 C21 -91.8(11) . . . . ? C37 O7 C22 C16 91.3(10) . . . . ? C20 C21 C22 O7 179.1(9) . . . . ? C23 C21 C22 O7 -7.3(14) . . . . ? C20 C21 C22 C16 -4.1(14) . . . . ? C23 C21 C22 C16 169.5(9) . . . . ? C17 C16 C22 O7 -179.7(8) . . . . ? C15 C16 C22 O7 4.2(14) . . . . ? C17 C16 C22 C21 3.5(14) . . . . ? C15 C16 C22 C21 -172.6(9) . . . . ? C20 C21 C23 C24 50.1(12) . . . . ? C22 C21 C23 C24 -123.3(10) . . . . ? C21 C23 C24 C29 63.7(11) . . . . ? C21 C23 C24 C25 -106.8(10) . . . . ? C29 C24 C25 C26 1.5(14) . . . . ? C23 C24 C25 C26 172.2(9) . . . . ? C24 C25 C26 C27 -8.5(15) . . . . ? C24 C25 C26 Br2 175.4(7) . . . . ? C25 C26 C27 C28 7.8(15) . . . . ? Br2 C26 C27 C28 -176.3(7) . . . . ? C26 C27 C28 C29 0.0(13) . . . . ? C26 C27 C28 C30 -175.0(8) . . . . ? C40 O8 C29 C24 73.9(12) . . . . ? C40 O8 C29 C28 -110.4(10) . . . . ? C25 C24 C29 O8 -178.3(8) . . . . ? C23 C24 C29 O8 11.0(13) . . . . ? C25 C24 C29 C28 6.1(13) . . . . ? C23 C24 C29 C28 -164.6(8) . . . . ? C27 C28 C29 O8 177.5(8) . . . . ? C30 C28 C29 O8 -7.5(12) . . . . ? C27 C28 C29 C24 -6.9(13) . . . . ? C30 C28 C29 C24 168.2(8) . . . . ? C27 C28 C30 C6 109.4(10) . . . . ? C29 C28 C30 C6 -65.5(11) . . . . ? C5 C6 C30 C28 120.6(10) . . . . ? C7 C6 C30 C28 -51.5(12) . . . . ? C5 O5 C31 C32 160.2(9) . . . . ? O5 C31 C32 C33 61.7(16) . . . . ? C14 O6 C34 C35 99.1(12) . . . . ? O6 C34 C35 C36 162.9(9) . . . . ? C22 O7 C37 C38 -177.6(10) . . . . ? O7 C37 C38 C39 -58.0(19) . . . . ? C29 O8 C40 C41 74.2(12) . . . . ? O8 C40 C41 C42 -179.1(9) . . . . ? C105 C100 C101 C102 -5.3(19) . . . . ? C106 C100 C101 C102 -178.2(12) . . . . ? C100 C101 C102 C103 4(2) . . . . ? C101 C102 C103 C104 -1.2(18) . . . . ? C101 C102 C103 Rh1 94.1(12) . . . . ? O3 Rh1 C103 C104 8.1(8) . . . . ? O1 Rh1 C103 C104 -74.5(8) . . . . ? O4 Rh1 C103 C104 -170.9(8) . . . . ? O2 Rh1 C103 C104 106.3(8) . . . . ? Rh1 Rh1 C103 C104 -123.2(14) 2_566 . . . ? O3 Rh1 C103 C102 -110.0(8) . . . . ? O1 Rh1 C103 C102 167.5(8) . . . . ? O4 Rh1 C103 C102 71.0(8) . . . . ? O2 Rh1 C103 C102 -11.8(9) . . . . ? Rh1 Rh1 C103 C102 118.7(14) 2_566 . . . ? C102 C103 C104 C105 0.9(18) . . . . ? Rh1 C103 C104 C105 -95.5(11) . . . . ? C103 C104 C105 C100 -2.9(19) . . . . ? C101 C100 C105 C104 5.0(18) . . . . ? C106 C100 C105 C104 177.8(12) . . . . ? O11 Rh2 O9 C43 -77.4(6) . . . . ? O10 Rh2 O9 C43 12(4) 2_675 . . . ? O12 Rh2 O9 C43 98.6(6) 2_675 . . . ? Rh2 Rh2 O9 C43 10.1(6) 2_675 . . . ? C203 Rh2 O9 C43 -179.6(6) . . . . ? O10 Rh2 O11 C61 -96.8(6) 2_675 . . . ? O12 Rh2 O11 C61 -12(4) 2_675 . . . ? O9 Rh2 O11 C61 79.2(6) . . . . ? Rh2 Rh2 O11 C61 -9.7(6) 2_675 . . . ? C203 Rh2 O11 C61 166.7(6) . . . . ? Rh2 O10 C43 O9 22.6(11) 2_675 . . . ? Rh2 O10 C43 C44 -154.3(6) 2_675 . . . ? Rh2 O9 C43 O10 -22.4(11) . . . . ? Rh2 O9 C43 C44 154.6(6) . . . . ? O10 C43 C44 C49 176.7(8) . . . . ? O9 C43 C44 C49 -0.5(12) . . . . ? O10 C43 C44 C45 6.6(12) . . . . ? O9 C43 C44 C45 -170.6(8) . . . . ? C49 C44 C45 C46 1.1(12) . . . . ? C43 C44 C45 C46 171.4(8) . . . . ? C44 C45 C46 C47 0.4(12) . . . . ? C44 C45 C46 C50 -177.2(8) . . . . ? C82 O16 C47 C48 95.1(10) . . . . ? C82 O16 C47 C46 -89.8(10) . . . . ? C45 C46 C47 C48 -2.7(12) . . . . ? C50 C46 C47 C48 174.8(8) . . . . ? C45 C46 C47 O16 -177.6(7) . . . . ? C50 C46 C47 O16 0.0(12) . . . . ? O16 C47 C48 C49 178.3(7) . . . . ? C46 C47 C48 C49 3.4(12) . . . . ? O16 C47 C48 C72 4.8(12) . . . . ? C46 C47 C48 C72 -170.1(8) . . . . ? C45 C44 C49 C48 -0.3(13) . . . . ? C43 C44 C49 C48 -170.7(8) . . . . ? C47 C48 C49 C44 -1.8(13) . . . . ? C72 C48 C49 C44 171.9(8) . . . . ? C45 C46 C50 C51 50.7(11) . . . . ? C47 C46 C50 C51 -126.8(8) . . . . ? C46 C50 C51 C52 -110.0(10) . . . . ? C46 C50 C51 C56 63.6(11) . . . . ? C56 C51 C52 C53 -1.5(14) . . . . ? C50 C51 C52 C53 172.2(9) . . . . ? C51 C52 C53 C54 -3.1(16) . . . . ? C51 C52 C53 Br3 175.6(7) . . . . ? C52 C53 C54 C55 2.3(16) . . . . ? Br3 C53 C54 C55 -176.3(7) . . . . ? C53 C54 C55 C56 2.9(15) . . . . ? C53 C54 C55 C57 -174.3(9) . . . . ? C73 O13 C56 C55 -109.2(10) . . . . ? C73 O13 C56 C51 76.9(11) . . . . ? C54 C55 C56 O13 178.8(8) . . . . ? C57 C55 C56 O13 -3.9(13) . . . . ? C54 C55 C56 C51 -7.4(14) . . . . ? C57 C55 C56 C51 169.8(9) . . . . ? C52 C51 C56 O13 -179.5(9) . . . . ? C50 C51 C56 O13 6.7(13) . . . . ? C52 C51 C56 C55 6.7(14) . . . . ? C50 C51 C56 C55 -167.1(9) . . . . ? C54 C55 C57 C58 112.3(10) . . . . ? C56 C55 C57 C58 -64.8(12) . . . . ? C55 C57 C58 C59 -49.8(11) . . . . ? C55 C57 C58 C64 124.5(9) . . . . ? C64 C58 C59 C60 -0.2(13) . . . . ? C57 C58 C59 C60 174.3(8) . . . . ? C58 C59 C60 C62 -3.2(13) . . . . ? C58 C59 C60 C61 -172.3(8) . . . . ? Rh2 O12 C61 O11 -24.6(12) 2_675 . . . ? Rh2 O12 C61 C60 156.5(5) 2_675 . . . ? Rh2 O11 C61 O12 25.0(13) . . . . ? Rh2 O11 C61 C60 -156.2(5) . . . . ? C59 C60 C61 O12 -5.2(12) . . . . ? C62 C60 C61 O12 -174.1(8) . . . . ? C59 C60 C61 O11 175.7(8) . . . . ? C62 C60 C61 O11 6.8(11) . . . . ? C59 C60 C62 C63 2.7(13) . . . . ? C61 C60 C62 C63 171.8(8) . . . . ? C60 C62 C63 C64 1.2(13) . . . . ? C60 C62 C63 C65 -173.0(8) . . . . ? C62 C63 C64 O14 178.8(8) . . . . ? C65 C63 C64 O14 -7.1(13) . . . . ? C62 C63 C64 C58 -4.8(14) . . . . ? C65 C63 C64 C58 169.3(8) . . . . ? C76 O14 C64 C63 -101.3(11) . . . . ? C76 O14 C64 C58 82.1(12) . . . . ? C59 C58 C64 C63 4.4(13) . . . . ? C57 C58 C64 C63 -170.1(9) . . . . ? C59 C58 C64 O14 -179.2(8) . . . . ? C57 C58 C64 O14 6.3(12) . . . . ? C62 C63 C65 C66 47.3(13) . . . . ? C64 C63 C65 C66 -126.6(10) . . . . ? C63 C65 C66 C67 -105.2(12) . . . . ? C63 C65 C66 C71 70.0(12) . . . . ? C71 C66 C67 C68 -4.1(16) . . . . ? C65 C66 C67 C68 171.1(9) . . . . ? C66 C67 C68 C69 -1.1(16) . . . . ? C66 C67 C68 Br4 177.1(8) . . . . ? C67 C68 C69 C70 1.3(16) . . . . ? Br4 C68 C69 C70 -176.9(7) . . . . ? C68 C69 C70 C71 3.6(15) . . . . ? C68 C69 C70 C72 -170.3(9) . . . . ? C79 O15 C71 C66 113.2(11) . . . . ? C79 O15 C71 C70 -72.9(12) . . . . ? C67 C66 C71 O15 -176.9(9) . . . . ? C65 C66 C71 O15 7.8(13) . . . . ? C67 C66 C71 C70 9.2(15) . . . . ? C65 C66 C71 C70 -166.1(9) . . . . ? C69 C70 C71 O15 177.3(8) . . . . ? C72 C70 C71 O15 -8.8(14) . . . . ? C69 C70 C71 C66 -8.9(14) . . . . ? C72 C70 C71 C66 165.1(9) . . . . ? C47 C48 C72 C70 120.3(10) . . . . ? C49 C48 C72 C70 -53.1(11) . . . . ? C69 C70 C72 C48 107.5(10) . . . . ? C71 C70 C72 C48 -66.2(12) . . . . ? C56 O13 C73 C74 103.7(13) . . . . ? O13 C73 C74 C75 161.8(11) . . . . ? C64 O14 C76 C77 73.5(16) . . . . ? O14 C76 C77 C78 168.8(12) . . . . ? C71 O15 C79 C80 -84.7(15) . . . . ? O15 C79 C80 C81 -179.7(12) . . . . ? C47 O16 C82 C83 172.0(9) . . . . ? O16 C82 C83 C84 65.0(14) . . . . ? C205 C200 C201 C202 2.3(17) . . . . ? C206 C200 C201 C202 -179.1(11) . . . . ? C200 C201 C202 C203 -2.6(17) . . . . ? C201 C202 C203 C204 2.7(16) . . . . ? C201 C202 C203 Rh2 -88.7(10) . . . . ? O11 Rh2 C203 C202 109.6(8) . . . . ? O10 Rh2 C203 C202 12.2(8) 2_675 . . . ? O12 Rh2 C203 C202 -70.5(8) 2_675 . . . ? O9 Rh2 C203 C202 -167.0(8) . . . . ? Rh2 Rh2 C203 C202 -91.7(17) 2_675 . . . ? O11 Rh2 C203 C204 -12.5(8) . . . . ? O10 Rh2 C203 C204 -109.8(7) 2_675 . . . ? O12 Rh2 C203 C204 167.4(8) 2_675 . . . ? O9 Rh2 C203 C204 71.0(7) . . . . ? Rh2 Rh2 C203 C204 146.3(13) 2_675 . . . ? C202 C203 C204 C205 -2.6(16) . . . . ? Rh2 C203 C204 C205 97.7(9) . . . . ? C201 C200 C205 C204 -2.1(17) . . . . ? C206 C200 C205 C204 179.2(11) . . . . ? C203 C204 C205 C200 2.3(17) . . . . ? C305 C300 C301 C302 0.0 . . . . ? C306 C300 C301 C302 179.9(13) . . . . ? C300 C301 C302 C303 0.0 . . . . ? C301 C302 C303 C304 0.0 . . . . ? C302 C303 C304 C305 0.0 . . . . ? C303 C304 C305 C300 0.0 . . . . ? C301 C300 C305 C304 0.0 . . . . ? C306 C300 C305 C304 -179.9(13) . . . . ? C405 C400 C401 C402 0.0 . . . . ? C406 C400 C401 C402 -178.2(16) . . . . ? C400 C401 C402 C403 0.0 . . . . ? C401 C402 C403 C404 0.0 . . . . ? C402 C403 C404 C405 0.0 . . . . ? C403 C404 C405 C400 0.0 . . . . ? C401 C400 C405 C404 0.0 . . . . ? C406 C400 C405 C404 178.2(16) . . . . ? _diffrn_measured_fraction_theta_max 0.955 _diffrn_reflns_theta_full 21.97 _diffrn_measured_fraction_theta_full 0.955 _refine_diff_density_max 1.976 _refine_diff_density_min -0.795 _refine_diff_density_rms 0.132