# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'J. Du Bois' _publ_contact_author_address ;Department of Chemistry Stanford University Stanford, CA 94305-5080 ; _publ_contact_author_email jdubois@stanford.edu _publ_contact_author_fax '(650) 725-0259' loop_ _publ_author_name _publ_author_address 'J.Du Bois' ;Department of Chemistry Stanford University Stanford, CA 94305-5080 ; B.H.Brodsky ;Department of Chemistry Stanford University Stanford, CA 94305-5080 ; _publ_section_title ; Entrapment of a Dirhodium Tetracarboxylate Unit Inside the Aromatic Bowl of a Calix[4]arene: Unique Catalysts for C-H Amination ; data_shelxl_1 _database_code_depnum_ccdc_archive 'CCDC 606037' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C56 H65 F3 O20 Rh2, C4 H10 O' _chemical_formula_sum 'C60 H75 F3 O21 Rh2' _chemical_formula_weight 1395.02 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' F F 0.0171 0.0103 '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 _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.1442(11) _cell_length_b 15.8470(16) _cell_length_c 17.7174(17) _cell_angle_alpha 86.286(2) _cell_angle_beta 88.553(2) _cell_angle_gamma 86.249(2) _cell_volume 3115.0(5) _cell_formula_units_Z 2 _cell_measurement_temperature 170 _cell_measurement_reflns_used 3286 _cell_measurement_theta_min 2.56 _cell_measurement_theta_max 25.46 _exptl_crystal_description rhombic _exptl_crystal_colour blue _exptl_crystal_size_max 0.09 _exptl_crystal_size_mid 0.07 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.487 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1440 _exptl_absorpt_coefficient_mu 0.613 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7 _exptl_absorpt_correction_T_max 0.96 _exptl_absorpt_process_details 'SADABS, G.M. Sheldrick (1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 170 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_detector_area_resol_mean ? _diffrn_standards_number 'not measured' _diffrn_standards_interval_count 'not measured' _diffrn_standards_interval_time 'not measured' _diffrn_standards_decay_% 'not measured' _diffrn_reflns_number 20750 _diffrn_reflns_av_R_equivalents 0.0397 _diffrn_reflns_av_sigmaI/netI 0.0850 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.56 _diffrn_reflns_theta_max 26.45 _reflns_number_total 12496 _reflns_number_gt 7942 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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 'w=1/[\s^2^(Fo^2^)+(0.0730P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 12496 _refine_ls_number_parameters 772 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0955 _refine_ls_R_factor_gt 0.0526 _refine_ls_wR_factor_ref 0.1370 _refine_ls_wR_factor_gt 0.1201 _refine_ls_goodness_of_fit_ref 0.956 _refine_ls_restrained_S_all 0.956 _refine_ls_shift/su_max 0.005 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh1 Rh 0.73995(3) 0.39948(2) 0.164653(19) 0.02106(11) Uani 1 1 d . . . Rh2 Rh 0.61592(3) 0.39888(2) 0.276469(19) 0.02129(11) Uani 1 1 d . . . F1 F 0.7042(4) 0.6949(2) 0.14808(19) 0.0606(11) Uani 1 1 d . . . F2 F 0.5198(4) 0.6744(3) 0.1585(3) 0.0832(14) Uani 1 1 d . . . F3 F 0.6163(5) 0.6967(2) 0.25623(19) 0.0845(16) Uani 1 1 d . . . O1 O 0.5887(3) 0.3930(2) 0.10378(16) 0.0239(7) Uani 1 1 d . . . O2 O 0.4734(3) 0.3908(2) 0.20974(17) 0.0268(8) Uani 1 1 d . . . O3 O 0.4974(3) 0.3905(2) 0.38459(17) 0.0264(8) Uani 1 1 d . . . O4 O 0.6429(3) 0.3528(3) 0.46659(19) 0.0456(10) Uani 1 1 d . . . H4 H 0.6867 0.3599 0.4291 0.068 Uiso 1 1 calc R . . O5 O 0.8836(3) 0.3994(2) 0.23373(17) 0.0269(8) Uani 1 1 d . . . O6 O 0.7662(3) 0.4031(2) 0.33852(16) 0.0252(7) Uani 1 1 d . . . O7 O 0.8580(3) 0.3926(2) 0.05641(16) 0.0240(7) Uani 1 1 d . . . O8 O 0.7300(3) 0.3250(3) -0.00978(19) 0.0399(9) Uani 1 1 d . . . H8 H 0.6837 0.3362 0.0254 0.060 Uiso 1 1 calc R . . O9 O 0.7167(3) 0.5294(2) 0.15630(17) 0.0263(8) Uani 1 1 d . . . O10 O 0.5991(3) 0.5292(2) 0.26294(17) 0.0264(8) Uani 1 1 d . . . O11 O 0.7542(3) 0.2723(2) 0.17655(17) 0.0272(8) Uani 1 1 d . . . O12 O 0.6393(3) 0.2713(2) 0.28300(17) 0.0287(8) Uani 1 1 d . . . O13 O 0.4475(3) 0.2406(2) 0.06557(18) 0.0358(9) Uani 1 1 d . . . O14 O 0.3820(4) 0.2156(2) 0.4567(2) 0.0487(11) Uani 1 1 d . . . O15 O 1.0471(3) 0.2429(2) 0.4285(2) 0.0391(9) Uani 1 1 d . . . O16 O 1.0084(3) 0.2182(2) 0.0151(2) 0.0398(9) Uani 1 1 d . . . O17 O 0.6588(4) -0.1206(2) 0.1727(2) 0.0370(9) Uani 1 1 d . . . H17 H 0.6274 -0.1244 0.2151 0.056 Uiso 1 1 calc R . . O18 O 0.6114(3) -0.1158(2) 0.3222(2) 0.0370(9) Uani 1 1 d . . . H18 H 0.6798 -0.1181 0.3385 0.056 Uiso 1 1 calc R . . O19 O 0.8459(3) -0.1071(2) 0.3413(2) 0.0373(9) Uani 1 1 d . . . H19 H 0.8579 -0.1037 0.2953 0.056 Uiso 1 1 calc R . . O20 O 0.8999(3) -0.1238(2) 0.1945(2) 0.0372(9) Uani 1 1 d . . . H20 H 0.8291 -0.1253 0.1835 0.056 Uiso 1 1 calc R . . O21 O 1.0957(5) 0.6155(3) 0.3157(3) 0.0750(15) Uani 1 1 d . . . C1 C 0.4882(4) 0.3877(3) 0.1397(3) 0.0236(10) Uani 1 1 d . . . C2 C 0.3761(4) 0.3809(3) 0.0933(3) 0.0263(11) Uani 1 1 d . . . C3 C 0.3421(5) 0.4693(3) 0.0560(3) 0.0375(13) Uani 1 1 d . . . H3A H 0.3240 0.5084 0.0945 0.056 Uiso 1 1 calc R . . H3B H 0.2729 0.4667 0.0253 0.056 Uiso 1 1 calc R . . H3C H 0.4082 0.4881 0.0249 0.056 Uiso 1 1 calc R . . C4 C 0.2742(5) 0.3522(4) 0.1445(3) 0.0356(13) Uani 1 1 d . . . H4A H 0.2955 0.2968 0.1673 0.053 Uiso 1 1 calc R . . H4B H 0.2030 0.3503 0.1155 0.053 Uiso 1 1 calc R . . H4C H 0.2593 0.3913 0.1834 0.053 Uiso 1 1 calc R . . C5 C 0.4046(5) 0.3199(3) 0.0313(3) 0.0282(11) Uani 1 1 d . . . H5A H 0.3328 0.3130 0.0031 0.034 Uiso 1 1 calc R . . H5B H 0.4652 0.3421 -0.0034 0.034 Uiso 1 1 calc R . . C6 C 0.4708(5) 0.1778(3) 0.0125(3) 0.0386(13) Uani 1 1 d . . . H6A H 0.5289 0.1967 -0.0255 0.046 Uiso 1 1 calc R . . H6B H 0.3972 0.1679 -0.0127 0.046 Uiso 1 1 calc R . . C7 C 0.5284(5) 0.3625(3) 0.4464(3) 0.0295(11) Uani 1 1 d . . . C8 C 0.4406(5) 0.3415(3) 0.5110(3) 0.0331(12) Uani 1 1 d . . . C9 C 0.3885(6) 0.4257(4) 0.5401(3) 0.0521(18) Uani 1 1 d . . . H9A H 0.4517 0.4548 0.5609 0.078 Uiso 1 1 calc R . . H9B H 0.3282 0.4148 0.5785 0.078 Uiso 1 1 calc R . . H9C H 0.3531 0.4603 0.4989 0.078 Uiso 1 1 calc R . . C10 C 0.5008(6) 0.2857(4) 0.5752(3) 0.0496(16) Uani 1 1 d . . . H10A H 0.5432 0.2374 0.5546 0.074 Uiso 1 1 calc R . . H10B H 0.4404 0.2669 0.6109 0.074 Uiso 1 1 calc R . . H10C H 0.5563 0.3178 0.6002 0.074 Uiso 1 1 calc R . . C11 C 0.3385(5) 0.2973(3) 0.4778(3) 0.0340(12) Uani 1 1 d . . . H11A H 0.2735 0.2920 0.5150 0.041 Uiso 1 1 calc R . . H11B H 0.3074 0.3306 0.4339 0.041 Uiso 1 1 calc R . . C12 C 0.3649(5) 0.1984(3) 0.3817(3) 0.0358(13) Uani 1 1 d . . . H12A H 0.3962 0.2427 0.3479 0.043 Uiso 1 1 calc R . . H12B H 0.2798 0.1960 0.3725 0.043 Uiso 1 1 calc R . . C13 C 0.8677(4) 0.3935(3) 0.3040(3) 0.0231(10) Uani 1 1 d . . . C14 C 0.9754(4) 0.3685(3) 0.3542(3) 0.0269(11) Uani 1 1 d . . . C15 C 0.9831(5) 0.4277(4) 0.4180(3) 0.0436(14) Uani 1 1 d . . . H15A H 1.0499 0.4088 0.4493 0.065 Uiso 1 1 calc R . . H15B H 0.9101 0.4275 0.4480 0.065 Uiso 1 1 calc R . . H15C H 0.9941 0.4841 0.3971 0.065 Uiso 1 1 calc R . . C16 C 1.0899(5) 0.3647(4) 0.3067(3) 0.0448(15) Uani 1 1 d . . . H16A H 1.0823 0.3271 0.2670 0.067 Uiso 1 1 calc R . . H16B H 1.1561 0.3443 0.3380 0.067 Uiso 1 1 calc R . . H16C H 1.1041 0.4203 0.2850 0.067 Uiso 1 1 calc R . . C17 C 0.9479(5) 0.2786(3) 0.3886(3) 0.0360(13) Uani 1 1 d . . . H17A H 0.8781 0.2828 0.4224 0.043 Uiso 1 1 calc R . . H17B H 0.9301 0.2428 0.3485 0.043 Uiso 1 1 calc R . . C18 C 1.0164(6) 0.1725(3) 0.4788(3) 0.0406(14) Uani 1 1 d . . . H18A H 0.9574 0.1925 0.5158 0.049 Uiso 1 1 calc R . . H18B H 1.0877 0.1509 0.5059 0.049 Uiso 1 1 calc R . . C19 C 0.8357(5) 0.3543(3) 0.0021(3) 0.0267(11) Uani 1 1 d . . . C20 C 0.9305(4) 0.3378(3) -0.0606(3) 0.0288(11) Uani 1 1 d . . . C21 C 0.9637(5) 0.4231(3) -0.0981(3) 0.0395(14) Uani 1 1 d . . . H21A H 1.0310 0.4145 -0.1321 0.059 Uiso 1 1 calc R . . H21B H 0.9845 0.4596 -0.0599 0.059 Uiso 1 1 calc R . . H21C H 0.8963 0.4489 -0.1256 0.059 Uiso 1 1 calc R . . C22 C 0.8876(5) 0.2805(4) -0.1187(3) 0.0393(14) Uani 1 1 d . . . H22A H 0.8706 0.2267 -0.0942 0.059 Uiso 1 1 calc R . . H22B H 0.9492 0.2723 -0.1569 0.059 Uiso 1 1 calc R . . H22C H 0.8160 0.3062 -0.1417 0.059 Uiso 1 1 calc R . . C23 C 1.0405(5) 0.2963(3) -0.0198(3) 0.0348(13) Uani 1 1 d . . . H23A H 1.1065 0.2871 -0.0557 0.042 Uiso 1 1 calc R . . H23B H 1.0659 0.3327 0.0179 0.042 Uiso 1 1 calc R . . C24 C 1.0642(5) 0.1933(3) 0.0837(3) 0.0350(13) Uani 1 1 d . . . H24A H 1.0436 0.2348 0.1206 0.042 Uiso 1 1 calc R . . H24B H 1.1508 0.1896 0.0762 0.042 Uiso 1 1 calc R . . C25 C 0.6504(5) 0.5631(3) 0.2061(3) 0.0280(11) Uani 1 1 d . . . C26 C 0.6255(6) 0.6588(4) 0.1938(3) 0.0421(15) Uani 1 1 d . . . C27 C 0.7029(4) 0.2346(3) 0.2324(3) 0.0276(11) Uani 1 1 d . . . C28 C 0.7164(5) 0.1401(3) 0.2383(3) 0.0392(14) Uani 1 1 d . . . H28A H 0.6417 0.1180 0.2556 0.059 Uiso 1 1 calc R . . H28B H 0.7783 0.1216 0.2734 0.059 Uiso 1 1 calc R . . H28C H 0.7377 0.1199 0.1895 0.059 Uiso 1 1 calc R . . C29 C 0.5192(5) 0.0971(3) 0.0539(3) 0.0313(12) Uani 1 1 d . . . C30 C 0.4533(5) 0.0587(3) 0.1118(3) 0.0337(12) Uani 1 1 d . . . H30 H 0.3770 0.0821 0.1237 0.040 Uiso 1 1 calc R . . C31 C 0.4966(4) -0.0131(3) 0.1524(3) 0.0272(11) Uani 1 1 d . . . C32 C 0.6108(5) -0.0473(3) 0.1328(3) 0.0274(11) Uani 1 1 d . . . C33 C 0.6783(5) -0.0117(3) 0.0731(3) 0.0295(11) Uani 1 1 d . . . C34 C 0.6307(5) 0.0605(3) 0.0352(3) 0.0313(12) Uani 1 1 d . . . H34 H 0.6751 0.0856 -0.0044 0.038 Uiso 1 1 calc R . . C35 C 0.4262(5) -0.0501(3) 0.2206(3) 0.0341(12) Uani 1 1 d . . . H35A H 0.3406 -0.0411 0.2121 0.041 Uiso 1 1 calc R . . H35B H 0.4457 -0.1107 0.2273 0.041 Uiso 1 1 calc R . . C36 C 0.4301(4) 0.1146(3) 0.3677(3) 0.0292(11) Uani 1 1 d . . . C37 C 0.5252(4) 0.0809(3) 0.4122(3) 0.0305(12) Uani 1 1 d . . . H37 H 0.5481 0.1109 0.4523 0.037 Uiso 1 1 calc R . . C38 C 0.5868(5) 0.0044(3) 0.3990(3) 0.0323(12) Uani 1 1 d . . . C39 C 0.5522(5) -0.0389(3) 0.3381(3) 0.0290(11) Uani 1 1 d . . . C40 C 0.4585(5) -0.0074(3) 0.2912(3) 0.0314(12) Uani 1 1 d . . . C41 C 0.3982(4) 0.0693(3) 0.3079(3) 0.0295(11) Uani 1 1 d . . . H41 H 0.3345 0.0907 0.2779 0.035 Uiso 1 1 calc R . . C42 C 0.6892(5) -0.0289(4) 0.4497(3) 0.0358(13) Uani 1 1 d . . . H42A H 0.6951 -0.0902 0.4503 0.043 Uiso 1 1 calc R . . H42B H 0.6697 -0.0134 0.5009 0.043 Uiso 1 1 calc R . . C43 C 0.9670(5) 0.1013(3) 0.4402(3) 0.0343(12) Uani 1 1 d . . . C44 C 1.0344(5) 0.0606(3) 0.3844(3) 0.0352(12) Uani 1 1 d . . . H44 H 1.1093 0.0799 0.3703 0.042 Uiso 1 1 calc R . . C45 C 0.9949(5) -0.0065(3) 0.3494(3) 0.0323(12) Uani 1 1 d . . . C46 C 0.8836(5) -0.0358(3) 0.3718(3) 0.0307(12) Uani 1 1 d . . . C47 C 0.8114(5) 0.0032(3) 0.4267(3) 0.0318(12) Uani 1 1 d . . . C48 C 0.8552(5) 0.0718(3) 0.4596(3) 0.0333(12) Uani 1 1 d . . . H48 H 0.8080 0.0989 0.4959 0.040 Uiso 1 1 calc R . . C49 C 1.0691(5) -0.0457(3) 0.2850(3) 0.0339(12) Uani 1 1 d . . . H49A H 1.1531 -0.0348 0.2901 0.041 Uiso 1 1 calc R . . H49B H 1.0627 -0.1066 0.2884 0.041 Uiso 1 1 calc R . . C50 C 1.0229(5) 0.1086(3) 0.1123(3) 0.0289(11) Uani 1 1 d . . . C51 C 0.9414(5) 0.0682(3) 0.0721(3) 0.0302(12) Uani 1 1 d . . . H51 H 0.9135 0.0938 0.0266 0.036 Uiso 1 1 calc R . . C52 C 0.8996(5) -0.0102(3) 0.0978(3) 0.0321(12) Uani 1 1 d . . . C53 C 0.9428(5) -0.0471(3) 0.1668(3) 0.0326(12) Uani 1 1 d . . . C54 C 1.0256(5) -0.0090(3) 0.2086(3) 0.0306(12) Uani 1 1 d . . . C55 C 1.0630(5) 0.0701(3) 0.1798(3) 0.0318(12) Uani 1 1 d . . . H55 H 1.1169 0.0975 0.2074 0.038 Uiso 1 1 calc R . . C56 C 0.8041(5) -0.0485(3) 0.0539(3) 0.0313(12) Uani 1 1 d . . . H56A H 0.8081 -0.1093 0.0651 0.038 Uiso 1 1 calc R . . H56B H 0.8202 -0.0381 0.0001 0.038 Uiso 1 1 calc R . . C57 C 1.2952(9) 0.5601(6) 0.3023(5) 0.103(3) Uiso 1 1 d . . . H57A H 1.2846 0.5052 0.3267 0.155 Uiso 1 1 calc R . . H57B H 1.3765 0.5747 0.3082 0.155 Uiso 1 1 calc R . . H57C H 1.2787 0.5591 0.2494 0.155 Uiso 1 1 calc R . . C58 C 1.2127(9) 0.6228(7) 0.3365(6) 0.112(3) Uiso 1 1 d . . . H58A H 1.2175 0.6155 0.3911 0.134 Uiso 1 1 calc R . . H58B H 1.2366 0.6792 0.3210 0.134 Uiso 1 1 calc R . . C59 C 1.0175(8) 0.6795(6) 0.3443(5) 0.095(3) Uiso 1 1 d . . . H59A H 1.0413 0.7350 0.3257 0.114 Uiso 1 1 calc R . . H59B H 1.0182 0.6762 0.3991 0.114 Uiso 1 1 calc R . . C60 C 0.8941(8) 0.6643(6) 0.3168(5) 0.095(3) Uiso 1 1 d . . . H60A H 0.8892 0.6813 0.2639 0.143 Uiso 1 1 calc R . . H60B H 0.8344 0.6968 0.3446 0.143 Uiso 1 1 calc R . . H60C H 0.8803 0.6052 0.3244 0.143 Uiso 1 1 calc R . . 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 0.0247(2) 0.0194(2) 0.0190(2) -0.00124(15) 0.00337(15) -0.00144(16) Rh2 0.0247(2) 0.0203(2) 0.0187(2) -0.00093(15) 0.00276(15) -0.00156(16) F1 0.103(3) 0.0259(18) 0.051(2) 0.0004(15) 0.036(2) -0.0065(19) F2 0.084(3) 0.057(3) 0.101(3) 0.019(2) -0.003(3) 0.027(2) F3 0.186(5) 0.025(2) 0.041(2) -0.0102(16) 0.034(2) -0.002(2) O1 0.0240(18) 0.0280(19) 0.0200(16) -0.0041(13) 0.0018(13) -0.0011(15) O2 0.0276(19) 0.030(2) 0.0233(17) -0.0018(14) 0.0014(14) -0.0022(15) O3 0.031(2) 0.0290(19) 0.0192(17) 0.0008(14) 0.0016(14) -0.0013(15) O4 0.044(2) 0.065(3) 0.0264(19) 0.0059(19) 0.0041(17) -0.001(2) O5 0.0245(19) 0.031(2) 0.0245(17) -0.0002(14) 0.0027(14) -0.0019(15) O6 0.0260(19) 0.0272(19) 0.0229(17) -0.0033(14) 0.0000(14) -0.0038(15) O7 0.0279(19) 0.0267(19) 0.0180(16) -0.0062(14) 0.0044(13) -0.0031(15) O8 0.033(2) 0.054(3) 0.035(2) -0.0199(18) 0.0107(16) -0.0107(19) O9 0.037(2) 0.0184(18) 0.0227(17) -0.0026(13) 0.0077(15) 0.0005(15) O10 0.037(2) 0.0213(18) 0.0205(16) -0.0013(14) 0.0032(14) 0.0005(15) O11 0.0289(19) 0.0227(19) 0.0295(18) -0.0039(14) 0.0077(15) 0.0014(15) O12 0.035(2) 0.0231(19) 0.0272(18) -0.0006(14) 0.0048(15) -0.0020(16) O13 0.060(3) 0.0201(19) 0.0280(18) -0.0091(15) -0.0115(16) 0.0048(17) O14 0.089(3) 0.024(2) 0.033(2) -0.0080(16) -0.010(2) 0.005(2) O15 0.035(2) 0.034(2) 0.047(2) 0.0074(18) -0.0105(17) -0.0051(17) O16 0.050(2) 0.029(2) 0.041(2) 0.0031(17) -0.0113(18) -0.0065(18) O17 0.054(3) 0.0188(19) 0.038(2) -0.0040(16) 0.0083(18) -0.0032(17) O18 0.041(2) 0.0192(19) 0.050(2) 0.0027(16) 0.0038(18) -0.0033(16) O19 0.044(2) 0.028(2) 0.039(2) 0.0030(16) 0.0020(18) -0.0017(17) O20 0.034(2) 0.026(2) 0.052(2) -0.0048(17) 0.0044(18) 0.0000(16) O21 0.060(3) 0.071(4) 0.095(4) -0.017(3) -0.002(3) -0.005(3) C1 0.033(3) 0.012(2) 0.025(2) -0.0017(18) 0.001(2) 0.000(2) C2 0.028(3) 0.023(3) 0.028(3) 0.000(2) -0.002(2) 0.000(2) C3 0.044(3) 0.028(3) 0.039(3) 0.001(2) -0.001(2) 0.005(3) C4 0.027(3) 0.044(3) 0.037(3) -0.007(2) 0.000(2) -0.013(2) C5 0.038(3) 0.020(3) 0.026(2) -0.001(2) -0.006(2) 0.003(2) C6 0.053(4) 0.034(3) 0.030(3) -0.010(2) -0.005(2) -0.001(3) C7 0.037(3) 0.022(3) 0.029(3) -0.003(2) -0.001(2) -0.004(2) C8 0.046(3) 0.030(3) 0.024(3) -0.005(2) 0.007(2) -0.009(3) C9 0.072(5) 0.045(4) 0.043(3) -0.021(3) 0.032(3) -0.024(3) C10 0.073(5) 0.054(4) 0.023(3) 0.005(3) -0.002(3) -0.019(3) C11 0.043(3) 0.025(3) 0.034(3) -0.005(2) 0.008(2) -0.004(2) C12 0.036(3) 0.032(3) 0.039(3) -0.007(2) -0.001(2) 0.004(2) C13 0.028(3) 0.016(2) 0.026(2) -0.0009(19) -0.002(2) -0.005(2) C14 0.027(3) 0.027(3) 0.026(2) 0.005(2) 0.001(2) -0.004(2) C15 0.047(4) 0.044(4) 0.041(3) -0.006(3) -0.016(3) -0.003(3) C16 0.025(3) 0.067(4) 0.042(3) 0.004(3) -0.002(2) -0.002(3) C17 0.036(3) 0.025(3) 0.047(3) 0.003(2) -0.014(2) -0.004(2) C18 0.054(4) 0.031(3) 0.036(3) 0.004(2) -0.003(3) -0.002(3) C19 0.031(3) 0.023(3) 0.025(2) 0.002(2) 0.003(2) 0.003(2) C20 0.030(3) 0.032(3) 0.024(2) -0.002(2) 0.007(2) 0.001(2) C21 0.043(3) 0.039(3) 0.034(3) 0.006(2) 0.017(3) 0.004(3) C22 0.041(3) 0.048(4) 0.030(3) -0.014(2) 0.006(2) 0.002(3) C23 0.036(3) 0.029(3) 0.037(3) 0.001(2) 0.010(2) 0.001(2) C24 0.042(3) 0.034(3) 0.030(3) -0.007(2) 0.003(2) -0.007(3) C25 0.036(3) 0.026(3) 0.022(2) -0.002(2) 0.000(2) 0.000(2) C26 0.060(4) 0.033(3) 0.031(3) 0.001(2) 0.013(3) 0.008(3) C27 0.030(3) 0.026(3) 0.027(3) -0.002(2) 0.000(2) 0.001(2) C28 0.049(4) 0.022(3) 0.046(3) 0.000(2) 0.016(3) 0.000(3) C29 0.044(3) 0.023(3) 0.028(3) -0.012(2) -0.001(2) -0.003(2) C30 0.035(3) 0.030(3) 0.037(3) -0.014(2) -0.002(2) -0.002(2) C31 0.029(3) 0.022(3) 0.033(3) -0.014(2) -0.003(2) -0.007(2) C32 0.036(3) 0.018(2) 0.030(3) -0.010(2) -0.002(2) -0.004(2) C33 0.036(3) 0.026(3) 0.029(3) -0.016(2) -0.002(2) -0.006(2) C34 0.040(3) 0.028(3) 0.028(3) -0.008(2) 0.001(2) -0.012(2) C35 0.030(3) 0.031(3) 0.043(3) -0.006(2) 0.000(2) -0.009(2) C36 0.031(3) 0.031(3) 0.026(2) -0.001(2) 0.006(2) -0.006(2) C37 0.030(3) 0.036(3) 0.025(2) -0.004(2) 0.008(2) -0.005(2) C38 0.033(3) 0.035(3) 0.027(3) 0.008(2) 0.007(2) -0.005(2) C39 0.030(3) 0.019(3) 0.037(3) 0.001(2) 0.012(2) -0.001(2) C40 0.033(3) 0.026(3) 0.035(3) 0.000(2) 0.010(2) -0.009(2) C41 0.025(3) 0.031(3) 0.032(3) -0.001(2) 0.000(2) -0.003(2) C42 0.042(3) 0.036(3) 0.028(3) 0.006(2) 0.005(2) -0.002(3) C43 0.036(3) 0.033(3) 0.032(3) 0.011(2) -0.005(2) 0.001(2) C44 0.039(3) 0.033(3) 0.033(3) 0.008(2) -0.002(2) -0.008(2) C45 0.035(3) 0.028(3) 0.032(3) 0.010(2) -0.003(2) 0.006(2) C46 0.034(3) 0.026(3) 0.030(3) 0.006(2) 0.001(2) 0.002(2) C47 0.040(3) 0.025(3) 0.028(3) 0.009(2) -0.002(2) 0.004(2) C48 0.043(3) 0.027(3) 0.027(3) 0.004(2) -0.008(2) 0.010(2) C49 0.027(3) 0.035(3) 0.039(3) 0.002(2) 0.001(2) 0.001(2) C50 0.030(3) 0.028(3) 0.029(3) -0.007(2) 0.007(2) -0.004(2) C51 0.032(3) 0.028(3) 0.030(3) -0.005(2) 0.007(2) 0.000(2) C52 0.030(3) 0.037(3) 0.030(3) -0.010(2) 0.006(2) -0.002(2) C53 0.031(3) 0.024(3) 0.042(3) -0.004(2) 0.016(2) 0.002(2) C54 0.027(3) 0.030(3) 0.033(3) 0.000(2) 0.006(2) 0.005(2) C55 0.028(3) 0.035(3) 0.033(3) -0.006(2) 0.000(2) -0.002(2) C56 0.036(3) 0.027(3) 0.032(3) -0.010(2) 0.004(2) -0.003(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 O11 2.009(3) . ? Rh1 O1 2.035(3) . ? Rh1 O5 2.039(3) . ? Rh1 O9 2.054(3) . ? Rh1 O7 2.302(3) . ? Rh1 Rh2 2.3867(5) . ? Rh2 O12 2.018(3) . ? Rh2 O2 2.020(3) . ? Rh2 O6 2.033(3) . ? Rh2 O10 2.060(3) . ? Rh2 O3 2.301(3) . ? F1 C26 1.312(6) . ? F2 C26 1.349(7) . ? F3 C26 1.292(6) . ? O1 C1 1.279(5) . ? O2 C1 1.252(5) . ? O3 C7 1.205(5) . ? O4 C7 1.331(6) . ? O4 H4 0.8200 . ? O5 C13 1.252(5) . ? O6 C13 1.277(5) . ? O7 C19 1.210(6) . ? O8 C19 1.321(6) . ? O8 H8 0.8200 . ? O9 C25 1.259(5) . ? O10 C25 1.254(5) . ? O11 C27 1.265(5) . ? O12 C27 1.275(5) . ? O13 C5 1.418(5) . ? O13 C6 1.420(6) . ? O14 C12 1.394(6) . ? O14 C11 1.422(6) . ? O15 C17 1.395(6) . ? O15 C18 1.436(6) . ? O16 C24 1.401(6) . ? O16 C23 1.411(6) . ? O17 C32 1.402(6) . ? O17 H17 0.8200 . ? O18 C39 1.390(6) . ? O18 H18 0.8200 . ? O19 C46 1.378(6) . ? O19 H19 0.8200 . ? O20 C53 1.391(6) . ? O20 H20 0.8200 . ? O21 C58 1.378(10) . ? O21 C59 1.405(9) . ? C1 C2 1.526(7) . ? C2 C4 1.511(6) . ? C2 C5 1.523(6) . ? C2 C3 1.539(6) . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? C6 C29 1.507(7) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 C8 1.522(7) . ? C8 C11 1.524(7) . ? C8 C9 1.534(7) . ? C8 C10 1.536(7) . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C11 H11A 0.9700 . ? C11 H11B 0.9700 . ? C12 C36 1.504(7) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 C14 1.528(7) . ? C14 C16 1.510(7) . ? C14 C15 1.524(7) . ? C14 C17 1.559(7) . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C18 C43 1.498(8) . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C19 C20 1.536(6) . ? C20 C22 1.522(7) . ? C20 C23 1.528(7) . ? C20 C21 1.531(7) . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 C50 1.500(7) . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 C26 1.527(7) . ? C27 C28 1.493(7) . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 C34 1.378(7) . ? C29 C30 1.379(7) . ? C30 C31 1.373(7) . ? C30 H30 0.9300 . ? C31 C32 1.394(7) . ? C31 C35 1.530(7) . ? C32 C33 1.393(7) . ? C33 C34 1.372(7) . ? C33 C56 1.522(7) . ? C34 H34 0.9300 . ? C35 C40 1.522(7) . ? C35 H35A 0.9700 . ? C35 H35B 0.9700 . ? C36 C41 1.383(7) . ? C36 C37 1.394(7) . ? C37 C38 1.384(7) . ? C37 H37 0.9300 . ? C38 C39 1.391(7) . ? C38 C42 1.517(7) . ? C39 C40 1.397(7) . ? C40 C41 1.395(7) . ? C41 H41 0.9300 . ? C42 C47 1.521(7) . ? C42 H42A 0.9700 . ? C42 H42B 0.9700 . ? C43 C48 1.387(7) . ? C43 C44 1.392(7) . ? C44 C45 1.368(8) . ? C44 H44 0.9300 . ? C45 C46 1.392(7) . ? C45 C49 1.532(7) . ? C46 C47 1.397(7) . ? C47 C48 1.386(7) . ? C48 H48 0.9300 . ? C49 C54 1.516(7) . ? C49 H49A 0.9700 . ? C49 H49B 0.9700 . ? C50 C55 1.377(7) . ? C50 C51 1.382(7) . ? C51 C52 1.400(7) . ? C51 H51 0.9300 . ? C52 C53 1.403(7) . ? C52 C56 1.514(7) . ? C53 C54 1.390(8) . ? C54 C55 1.407(7) . ? C55 H55 0.9300 . ? C56 H56A 0.9700 . ? C56 H56B 0.9700 . ? C57 C58 1.460(11) . ? C57 H57A 0.9600 . ? C57 H57B 0.9600 . ? C57 H57C 0.9600 . ? C58 H58A 0.9700 . ? C58 H58B 0.9700 . ? C59 C60 1.509(12) . ? C59 H59A 0.9700 . ? C59 H59B 0.9700 . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? 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 O11 Rh1 O1 89.19(13) . . ? O11 Rh1 O5 87.80(14) . . ? O1 Rh1 O5 174.55(12) . . ? O11 Rh1 O9 176.74(12) . . ? O1 Rh1 O9 89.57(13) . . ? O5 Rh1 O9 93.20(14) . . ? O11 Rh1 O7 88.78(12) . . ? O1 Rh1 O7 90.83(11) . . ? O5 Rh1 O7 93.64(12) . . ? O9 Rh1 O7 94.24(11) . . ? O11 Rh1 Rh2 88.31(8) . . ? O1 Rh1 Rh2 88.29(8) . . ? O5 Rh1 Rh2 87.09(8) . . ? O9 Rh1 Rh2 88.65(8) . . ? O7 Rh1 Rh2 176.98(9) . . ? O12 Rh2 O2 89.22(14) . . ? O12 Rh2 O6 88.94(14) . . ? O2 Rh2 O6 176.29(12) . . ? O12 Rh2 O10 176.01(12) . . ? O2 Rh2 O10 90.50(13) . . ? O6 Rh2 O10 91.12(13) . . ? O12 Rh2 O3 89.07(12) . . ? O2 Rh2 O3 92.05(12) . . ? O6 Rh2 O3 91.14(12) . . ? O10 Rh2 O3 94.92(12) . . ? O12 Rh2 Rh1 87.86(9) . . ? O2 Rh2 Rh1 87.79(9) . . ? O6 Rh2 Rh1 88.93(8) . . ? O10 Rh2 Rh1 88.16(8) . . ? O3 Rh2 Rh1 176.92(9) . . ? C1 O1 Rh1 118.3(3) . . ? C1 O2 Rh2 120.3(3) . . ? C7 O3 Rh2 126.5(3) . . ? C7 O4 H4 109.5 . . ? C13 O5 Rh1 119.8(3) . . ? C13 O6 Rh2 117.3(3) . . ? C19 O7 Rh1 125.0(3) . . ? C19 O8 H8 109.5 . . ? C25 O9 Rh1 116.7(3) . . ? C25 O10 Rh2 117.0(3) . . ? C27 O11 Rh1 119.6(3) . . ? C27 O12 Rh2 119.4(3) . . ? C5 O13 C6 112.8(4) . . ? C12 O14 C11 116.0(4) . . ? C17 O15 C18 112.0(4) . . ? C24 O16 C23 115.9(4) . . ? C32 O17 H17 109.5 . . ? C39 O18 H18 109.5 . . ? C46 O19 H19 109.5 . . ? C53 O20 H20 109.5 . . ? C58 O21 C59 111.7(7) . . ? O2 C1 O1 125.3(4) . . ? O2 C1 C2 117.1(4) . . ? O1 C1 C2 117.6(4) . . ? C4 C2 C5 111.5(4) . . ? C4 C2 C1 109.8(4) . . ? C5 C2 C1 109.5(4) . . ? C4 C2 C3 109.8(4) . . ? C5 C2 C3 108.7(4) . . ? C1 C2 C3 107.6(4) . . ? C2 C3 H3A 109.5 . . ? C2 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? C2 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? C2 C4 H4A 109.5 . . ? C2 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C2 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? O13 C5 C2 108.5(4) . . ? O13 C5 H5A 110.0 . . ? C2 C5 H5A 110.0 . . ? O13 C5 H5B 110.0 . . ? C2 C5 H5B 110.0 . . ? H5A C5 H5B 108.4 . . ? O13 C6 C29 108.8(4) . . ? O13 C6 H6A 109.9 . . ? C29 C6 H6A 109.9 . . ? O13 C6 H6B 109.9 . . ? C29 C6 H6B 109.9 . . ? H6A C6 H6B 108.3 . . ? O3 C7 O4 123.2(5) . . ? O3 C7 C8 123.4(5) . . ? O4 C7 C8 113.2(4) . . ? C7 C8 C11 107.2(4) . . ? C7 C8 C9 107.4(4) . . ? C11 C8 C9 108.2(5) . . ? C7 C8 C10 112.2(5) . . ? C11 C8 C10 110.9(4) . . ? C9 C8 C10 110.7(5) . . ? C8 C9 H9A 109.5 . . ? C8 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C8 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C8 C10 H10A 109.5 . . ? C8 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C8 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? O14 C11 C8 109.4(4) . . ? O14 C11 H11A 109.8 . . ? C8 C11 H11A 109.8 . . ? O14 C11 H11B 109.8 . . ? C8 C11 H11B 109.8 . . ? H11A C11 H11B 108.2 . . ? O14 C12 C36 108.2(4) . . ? O14 C12 H12A 110.1 . . ? C36 C12 H12A 110.1 . . ? O14 C12 H12B 110.1 . . ? C36 C12 H12B 110.1 . . ? H12A C12 H12B 108.4 . . ? O5 C13 O6 125.3(4) . . ? O5 C13 C14 118.9(4) . . ? O6 C13 C14 115.8(4) . . ? C16 C14 C15 111.4(5) . . ? C16 C14 C13 110.1(4) . . ? C15 C14 C13 111.9(4) . . ? C16 C14 C17 110.8(4) . . ? C15 C14 C17 109.0(4) . . ? C13 C14 C17 103.4(4) . . ? C14 C15 H15A 109.5 . . ? C14 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C14 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C14 C16 H16A 109.5 . . ? C14 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C14 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? O15 C17 C14 109.6(4) . . ? O15 C17 H17A 109.7 . . ? C14 C17 H17A 109.7 . . ? O15 C17 H17B 109.7 . . ? C14 C17 H17B 109.7 . . ? H17A C17 H17B 108.2 . . ? O15 C18 C43 114.1(4) . . ? O15 C18 H18A 108.7 . . ? C43 C18 H18A 108.7 . . ? O15 C18 H18B 108.7 . . ? C43 C18 H18B 108.7 . . ? H18A C18 H18B 107.6 . . ? O7 C19 O8 124.2(4) . . ? O7 C19 C20 121.5(5) . . ? O8 C19 C20 114.4(4) . . ? C22 C20 C23 110.8(4) . . ? C22 C20 C21 111.1(4) . . ? C23 C20 C21 108.6(4) . . ? C22 C20 C19 112.4(4) . . ? C23 C20 C19 105.2(4) . . ? C21 C20 C19 108.5(4) . . ? C20 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C20 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C20 C22 H22A 109.5 . . ? C20 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C20 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? O16 C23 C20 108.0(4) . . ? O16 C23 H23A 110.1 . . ? C20 C23 H23A 110.1 . . ? O16 C23 H23B 110.1 . . ? C20 C23 H23B 110.1 . . ? H23A C23 H23B 108.4 . . ? O16 C24 C50 109.2(4) . . ? O16 C24 H24A 109.8 . . ? C50 C24 H24A 109.8 . . ? O16 C24 H24B 109.8 . . ? C50 C24 H24B 109.8 . . ? H24A C24 H24B 108.3 . . ? O10 C25 O9 129.4(5) . . ? O10 C25 C26 115.4(4) . . ? O9 C25 C26 115.2(4) . . ? F3 C26 F1 109.8(5) . . ? F3 C26 F2 107.0(5) . . ? F1 C26 F2 104.4(5) . . ? F3 C26 C25 113.0(4) . . ? F1 C26 C25 113.2(4) . . ? F2 C26 C25 108.8(5) . . ? O11 C27 O12 124.9(4) . . ? O11 C27 C28 117.2(4) . . ? O12 C27 C28 117.8(4) . . ? C27 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C27 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C34 C29 C30 118.6(5) . . ? C34 C29 C6 120.8(5) . . ? C30 C29 C6 120.6(5) . . ? C31 C30 C29 122.1(5) . . ? C31 C30 H30 118.9 . . ? C29 C30 H30 118.9 . . ? C30 C31 C32 117.7(5) . . ? C30 C31 C35 121.0(5) . . ? C32 C31 C35 121.2(5) . . ? C33 C32 C31 121.8(5) . . ? C33 C32 O17 118.6(4) . . ? C31 C32 O17 119.7(4) . . ? C34 C33 C32 117.9(5) . . ? C34 C33 C56 120.9(5) . . ? C32 C33 C56 121.1(5) . . ? C33 C34 C29 122.0(5) . . ? C33 C34 H34 119.0 . . ? C29 C34 H34 119.0 . . ? C40 C35 C31 109.4(4) . . ? C40 C35 H35A 109.8 . . ? C31 C35 H35A 109.8 . . ? C40 C35 H35B 109.8 . . ? C31 C35 H35B 109.8 . . ? H35A C35 H35B 108.2 . . ? C41 C36 C37 117.9(5) . . ? C41 C36 C12 120.0(5) . . ? C37 C36 C12 122.1(5) . . ? C38 C37 C36 122.4(5) . . ? C38 C37 H37 118.8 . . ? C36 C37 H37 118.8 . . ? C37 C38 C39 117.8(5) . . ? C37 C38 C42 119.8(5) . . ? C39 C38 C42 122.3(5) . . ? O18 C39 C38 120.1(5) . . ? O18 C39 C40 117.9(5) . . ? C38 C39 C40 122.0(5) . . ? C41 C40 C39 117.7(5) . . ? C41 C40 C35 119.5(5) . . ? C39 C40 C35 122.7(5) . . ? C36 C41 C40 122.1(5) . . ? C36 C41 H41 118.9 . . ? C40 C41 H41 118.9 . . ? C38 C42 C47 114.9(4) . . ? C38 C42 H42A 108.5 . . ? C47 C42 H42A 108.5 . . ? C38 C42 H42B 108.5 . . ? C47 C42 H42B 108.5 . . ? H42A C42 H42B 107.5 . . ? C48 C43 C44 117.5(5) . . ? C48 C43 C18 122.0(5) . . ? C44 C43 C18 120.5(5) . . ? C45 C44 C43 122.7(5) . . ? C45 C44 H44 118.7 . . ? C43 C44 H44 118.7 . . ? C44 C45 C46 118.2(5) . . ? C44 C45 C49 120.6(5) . . ? C46 C45 C49 121.2(5) . . ? O19 C46 C45 119.2(4) . . ? O19 C46 C47 119.1(5) . . ? C45 C46 C47 121.7(5) . . ? C48 C47 C46 117.7(5) . . ? C48 C47 C42 121.4(5) . . ? C46 C47 C42 120.9(5) . . ? C47 C48 C43 122.3(5) . . ? C47 C48 H48 118.9 . . ? C43 C48 H48 118.9 . . ? C54 C49 C45 110.9(4) . . ? C54 C49 H49A 109.5 . . ? C45 C49 H49A 109.5 . . ? C54 C49 H49B 109.5 . . ? C45 C49 H49B 109.5 . . ? H49A C49 H49B 108.0 . . ? C55 C50 C51 118.4(5) . . ? C55 C50 C24 121.1(5) . . ? C51 C50 C24 120.5(5) . . ? C50 C51 C52 122.0(5) . . ? C50 C51 H51 119.0 . . ? C52 C51 H51 119.0 . . ? C51 C52 C53 117.7(5) . . ? C51 C52 C56 119.4(5) . . ? C53 C52 C56 122.8(5) . . ? C54 C53 O20 119.1(5) . . ? C54 C53 C52 122.2(5) . . ? O20 C53 C52 118.7(5) . . ? C53 C54 C55 117.1(5) . . ? C53 C54 C49 123.0(5) . . ? C55 C54 C49 119.7(5) . . ? C50 C55 C54 122.7(5) . . ? C50 C55 H55 118.7 . . ? C54 C55 H55 118.7 . . ? C52 C56 C33 112.0(4) . . ? C52 C56 H56A 109.2 . . ? C33 C56 H56A 109.2 . . ? C52 C56 H56B 109.2 . . ? C33 C56 H56B 109.2 . . ? H56A C56 H56B 107.9 . . ? C58 C57 H57A 109.5 . . ? C58 C57 H57B 109.5 . . ? H57A C57 H57B 109.5 . . ? C58 C57 H57C 109.5 . . ? H57A C57 H57C 109.5 . . ? H57B C57 H57C 109.5 . . ? O21 C58 C57 111.7(9) . . ? O21 C58 H58A 109.3 . . ? C57 C58 H58A 109.3 . . ? O21 C58 H58B 109.3 . . ? C57 C58 H58B 109.3 . . ? H58A C58 H58B 107.9 . . ? O21 C59 C60 106.0(8) . . ? O21 C59 H59A 110.5 . . ? C60 C59 H59A 110.5 . . ? O21 C59 H59B 110.5 . . ? C60 C59 H59B 110.5 . . ? H59A C59 H59B 108.7 . . ? C59 C60 H60A 109.5 . . ? C59 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C59 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O11 Rh1 Rh2 O12 0.82(14) . . . . ? O1 Rh1 Rh2 O12 90.06(14) . . . . ? O5 Rh1 Rh2 O12 -87.06(14) . . . . ? O9 Rh1 Rh2 O12 179.67(14) . . . . ? O11 Rh1 Rh2 O2 -88.48(14) . . . . ? O1 Rh1 Rh2 O2 0.76(13) . . . . ? O5 Rh1 Rh2 O2 -176.36(13) . . . . ? O9 Rh1 Rh2 O2 90.37(14) . . . . ? O11 Rh1 Rh2 O6 89.80(13) . . . . ? O1 Rh1 Rh2 O6 179.03(13) . . . . ? O5 Rh1 Rh2 O6 1.92(13) . . . . ? O9 Rh1 Rh2 O6 -91.36(13) . . . . ? O11 Rh1 Rh2 O10 -179.05(14) . . . . ? O1 Rh1 Rh2 O10 -89.81(13) . . . . ? O5 Rh1 Rh2 O10 93.07(13) . . . . ? O9 Rh1 Rh2 O10 -0.20(14) . . . . ? O11 Rh1 O1 C1 85.7(3) . . . . ? O9 Rh1 O1 C1 -91.3(3) . . . . ? O7 Rh1 O1 C1 174.5(3) . . . . ? Rh2 Rh1 O1 C1 -2.6(3) . . . . ? O12 Rh2 O2 C1 -87.0(3) . . . . ? O10 Rh2 O2 C1 89.0(3) . . . . ? O3 Rh2 O2 C1 -176.0(3) . . . . ? Rh1 Rh2 O2 C1 0.9(3) . . . . ? O12 Rh2 O3 C7 62.6(4) . . . . ? O2 Rh2 O3 C7 151.8(4) . . . . ? O6 Rh2 O3 C7 -26.3(4) . . . . ? O10 Rh2 O3 C7 -117.5(4) . . . . ? O11 Rh1 O5 C13 -83.8(3) . . . . ? O9 Rh1 O5 C13 93.1(3) . . . . ? O7 Rh1 O5 C13 -172.4(3) . . . . ? Rh2 Rh1 O5 C13 4.6(3) . . . . ? O12 Rh2 O6 C13 79.0(3) . . . . ? O10 Rh2 O6 C13 -97.0(3) . . . . ? O3 Rh2 O6 C13 168.1(3) . . . . ? Rh1 Rh2 O6 C13 -8.8(3) . . . . ? O11 Rh1 O7 C19 56.8(4) . . . . ? O1 Rh1 O7 C19 -32.3(4) . . . . ? O5 Rh1 O7 C19 144.5(4) . . . . ? O9 Rh1 O7 C19 -122.0(4) . . . . ? O1 Rh1 O9 C25 87.1(4) . . . . ? O5 Rh1 O9 C25 -88.2(4) . . . . ? O7 Rh1 O9 C25 177.9(4) . . . . ? Rh2 Rh1 O9 C25 -1.2(3) . . . . ? O2 Rh2 O10 C25 -86.1(4) . . . . ? O6 Rh2 O10 C25 90.6(4) . . . . ? O3 Rh2 O10 C25 -178.2(4) . . . . ? Rh1 Rh2 O10 C25 1.7(4) . . . . ? O1 Rh1 O11 C27 -89.6(4) . . . . ? O5 Rh1 O11 C27 85.9(4) . . . . ? O7 Rh1 O11 C27 179.6(4) . . . . ? Rh2 Rh1 O11 C27 -1.3(4) . . . . ? O2 Rh2 O12 C27 87.1(4) . . . . ? O6 Rh2 O12 C27 -89.6(4) . . . . ? O3 Rh2 O12 C27 179.2(4) . . . . ? Rh1 Rh2 O12 C27 -0.7(4) . . . . ? Rh2 O2 C1 O1 -3.4(6) . . . . ? Rh2 O2 C1 C2 179.4(3) . . . . ? Rh1 O1 C1 O2 4.2(6) . . . . ? Rh1 O1 C1 C2 -178.6(3) . . . . ? O2 C1 C2 C4 -17.5(6) . . . . ? O1 C1 C2 C4 165.1(4) . . . . ? O2 C1 C2 C5 -140.2(4) . . . . ? O1 C1 C2 C5 42.4(5) . . . . ? O2 C1 C2 C3 101.9(5) . . . . ? O1 C1 C2 C3 -75.5(5) . . . . ? C6 O13 C5 C2 176.9(4) . . . . ? C4 C2 C5 O13 -64.7(5) . . . . ? C1 C2 C5 O13 56.9(5) . . . . ? C3 C2 C5 O13 174.2(4) . . . . ? C5 O13 C6 C29 178.3(4) . . . . ? Rh2 O3 C7 O4 18.8(7) . . . . ? Rh2 O3 C7 C8 -166.5(3) . . . . ? O3 C7 C8 C11 42.6(7) . . . . ? O4 C7 C8 C11 -142.1(5) . . . . ? O3 C7 C8 C9 -73.5(7) . . . . ? O4 C7 C8 C9 101.8(5) . . . . ? O3 C7 C8 C10 164.6(5) . . . . ? O4 C7 C8 C10 -20.1(6) . . . . ? C12 O14 C11 C8 -124.5(5) . . . . ? C7 C8 C11 O14 69.7(5) . . . . ? C9 C8 C11 O14 -174.7(4) . . . . ? C10 C8 C11 O14 -53.1(5) . . . . ? C11 O14 C12 C36 172.8(4) . . . . ? Rh1 O5 C13 O6 -13.8(6) . . . . ? Rh1 O5 C13 C14 162.8(3) . . . . ? Rh2 O6 C13 O5 15.8(6) . . . . ? Rh2 O6 C13 C14 -160.9(3) . . . . ? O5 C13 C14 C16 6.6(6) . . . . ? O6 C13 C14 C16 -176.5(4) . . . . ? O5 C13 C14 C15 131.1(5) . . . . ? O6 C13 C14 C15 -52.0(6) . . . . ? O5 C13 C14 C17 -111.8(5) . . . . ? O6 C13 C14 C17 65.1(5) . . . . ? C18 O15 C17 C14 163.3(4) . . . . ? C16 C14 C17 O15 54.5(6) . . . . ? C15 C14 C17 O15 -68.5(5) . . . . ? C13 C14 C17 O15 172.4(4) . . . . ? C17 O15 C18 C43 59.7(6) . . . . ? Rh1 O7 C19 O8 14.1(7) . . . . ? Rh1 O7 C19 C20 -167.3(3) . . . . ? O7 C19 C20 C22 173.7(5) . . . . ? O8 C19 C20 C22 -7.6(6) . . . . ? O7 C19 C20 C23 53.0(6) . . . . ? O8 C19 C20 C23 -128.3(5) . . . . ? O7 C19 C20 C21 -63.0(6) . . . . ? O8 C19 C20 C21 115.7(5) . . . . ? C24 O16 C23 C20 -146.7(4) . . . . ? C22 C20 C23 O16 -58.3(5) . . . . ? C21 C20 C23 O16 179.3(4) . . . . ? C19 C20 C23 O16 63.3(5) . . . . ? C23 O16 C24 C50 -178.7(4) . . . . ? Rh2 O10 C25 O9 -3.5(7) . . . . ? Rh2 O10 C25 C26 174.1(4) . . . . ? Rh1 O9 C25 O10 3.3(7) . . . . ? Rh1 O9 C25 C26 -174.3(4) . . . . ? O10 C25 C26 F3 36.4(8) . . . . ? O9 C25 C26 F3 -145.7(5) . . . . ? O10 C25 C26 F1 162.0(5) . . . . ? O9 C25 C26 F1 -20.0(7) . . . . ? O10 C25 C26 F2 -82.3(6) . . . . ? O9 C25 C26 F2 95.6(5) . . . . ? Rh1 O11 C27 O12 1.1(7) . . . . ? Rh1 O11 C27 C28 179.9(4) . . . . ? Rh2 O12 C27 O11 -0.1(7) . . . . ? Rh2 O12 C27 C28 -178.9(4) . . . . ? O13 C6 C29 C34 -121.1(5) . . . . ? O13 C6 C29 C30 58.4(7) . . . . ? C34 C29 C30 C31 1.9(8) . . . . ? C6 C29 C30 C31 -177.6(5) . . . . ? C29 C30 C31 C32 -0.6(8) . . . . ? C29 C30 C31 C35 174.8(5) . . . . ? C30 C31 C32 C33 -1.4(7) . . . . ? C35 C31 C32 C33 -176.8(4) . . . . ? C30 C31 C32 O17 180.0(4) . . . . ? C35 C31 C32 O17 4.6(7) . . . . ? C31 C32 C33 C34 2.1(7) . . . . ? O17 C32 C33 C34 -179.2(4) . . . . ? C31 C32 C33 C56 178.3(4) . . . . ? O17 C32 C33 C56 -3.1(7) . . . . ? C32 C33 C34 C29 -0.9(7) . . . . ? C56 C33 C34 C29 -177.0(5) . . . . ? C30 C29 C34 C33 -1.1(8) . . . . ? C6 C29 C34 C33 178.4(5) . . . . ? C30 C31 C35 C40 -86.7(6) . . . . ? C32 C31 C35 C40 88.6(6) . . . . ? O14 C12 C36 C41 159.2(5) . . . . ? O14 C12 C36 C37 -22.4(7) . . . . ? C41 C36 C37 C38 -0.6(7) . . . . ? C12 C36 C37 C38 -179.0(5) . . . . ? C36 C37 C38 C39 0.9(7) . . . . ? C36 C37 C38 C42 -179.8(4) . . . . ? C37 C38 C39 O18 179.8(4) . . . . ? C42 C38 C39 O18 0.5(7) . . . . ? C37 C38 C39 C40 -0.1(7) . . . . ? C42 C38 C39 C40 -179.4(4) . . . . ? O18 C39 C40 C41 179.1(4) . . . . ? C38 C39 C40 C41 -0.9(7) . . . . ? O18 C39 C40 C35 -5.1(7) . . . . ? C38 C39 C40 C35 174.8(4) . . . . ? C31 C35 C40 C41 84.9(6) . . . . ? C31 C35 C40 C39 -90.8(6) . . . . ? C37 C36 C41 C40 -0.5(7) . . . . ? C12 C36 C41 C40 177.9(5) . . . . ? C39 C40 C41 C36 1.3(7) . . . . ? C35 C40 C41 C36 -174.6(4) . . . . ? C37 C38 C42 C47 -86.4(6) . . . . ? C39 C38 C42 C47 92.9(6) . . . . ? O15 C18 C43 C48 -123.1(5) . . . . ? O15 C18 C43 C44 58.8(7) . . . . ? C48 C43 C44 C45 -0.6(8) . . . . ? C18 C43 C44 C45 177.7(5) . . . . ? C43 C44 C45 C46 -1.2(8) . . . . ? C43 C44 C45 C49 176.3(5) . . . . ? C44 C45 C46 O19 -175.4(4) . . . . ? C49 C45 C46 O19 7.1(7) . . . . ? C44 C45 C46 C47 2.1(7) . . . . ? C49 C45 C46 C47 -175.4(4) . . . . ? O19 C46 C47 C48 176.2(4) . . . . ? C45 C46 C47 C48 -1.3(7) . . . . ? O19 C46 C47 C42 -3.4(7) . . . . ? C45 C46 C47 C42 179.1(4) . . . . ? C38 C42 C47 C48 96.4(6) . . . . ? C38 C42 C47 C46 -83.9(6) . . . . ? C46 C47 C48 C43 -0.6(7) . . . . ? C42 C47 C48 C43 179.1(4) . . . . ? C44 C43 C48 C47 1.4(7) . . . . ? C18 C43 C48 C47 -176.8(5) . . . . ? C44 C45 C49 C54 -95.7(6) . . . . ? C46 C45 C49 C54 81.7(6) . . . . ? O16 C24 C50 C55 -179.0(4) . . . . ? O16 C24 C50 C51 -0.4(6) . . . . ? C55 C50 C51 C52 -0.3(7) . . . . ? C24 C50 C51 C52 -179.0(4) . . . . ? C50 C51 C52 C53 0.4(7) . . . . ? C50 C51 C52 C56 175.9(4) . . . . ? C51 C52 C53 C54 -1.0(7) . . . . ? C56 C52 C53 C54 -176.4(4) . . . . ? C51 C52 C53 O20 178.2(4) . . . . ? C56 C52 C53 O20 2.9(7) . . . . ? O20 C53 C54 C55 -177.7(4) . . . . ? C52 C53 C54 C55 1.5(7) . . . . ? O20 C53 C54 C49 -2.1(7) . . . . ? C52 C53 C54 C49 177.1(4) . . . . ? C45 C49 C54 C53 -94.5(6) . . . . ? C45 C49 C54 C55 81.0(6) . . . . ? C51 C50 C55 C54 0.9(7) . . . . ? C24 C50 C55 C54 179.5(5) . . . . ? C53 C54 C55 C50 -1.5(7) . . . . ? C49 C54 C55 C50 -177.2(4) . . . . ? C51 C52 C56 C33 -81.9(6) . . . . ? C53 C52 C56 C33 93.4(6) . . . . ? C34 C33 C56 C52 87.6(6) . . . . ? C32 C33 C56 C52 -88.4(6) . . . . ? C59 O21 C58 C57 -175.9(8) . . . . ? C58 O21 C59 C60 179.5(7) . . . . ? _diffrn_measured_fraction_theta_max 0.974 _diffrn_reflns_theta_full 26.45 _diffrn_measured_fraction_theta_full 0.974 _refine_diff_density_max 1.572 _refine_diff_density_min -0.837 _refine_diff_density_rms 0.115 data_shelxl _database_code_depnum_ccdc_archive 'CCDC 606038' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C60 H76 O22 Rh2' _chemical_formula_weight 1355.03 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' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, z' 'x, -y+1/2, z+1/2' '-x+1/2, -y, z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, -z' '-x, y-1/2, -z-1/2' 'x-1/2, y, -z-1/2' _cell_length_a 20.989(3) _cell_length_b 19.577(3) _cell_length_c 29.775(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 12235(3) _cell_formula_units_Z 8 _cell_measurement_temperature 293(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 1.471 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5616 _exptl_absorpt_coefficient_mu 0.617 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 66886 _diffrn_reflns_av_R_equivalents 0.0490 _diffrn_reflns_av_sigmaI/netI 0.0434 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_theta_min 1.37 _diffrn_reflns_theta_max 26.36 _reflns_number_total 12453 _reflns_number_gt 8779 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0000P)^2^+150.8333P] 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 12453 _refine_ls_number_parameters 748 _refine_ls_number_restraints 5 _refine_ls_R_factor_all 0.1255 _refine_ls_R_factor_gt 0.0903 _refine_ls_wR_factor_ref 0.2045 _refine_ls_wR_factor_gt 0.1882 _refine_ls_goodness_of_fit_ref 1.260 _refine_ls_restrained_S_all 3.933 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh1 Rh 0.14085(9) 0.19287(11) 0.04388(7) 0.0294(5) Uani 1 1 d . . . Rh2 Rh 0.02790(9) 0.19717(12) 0.04081(7) 0.0332(5) Uani 1 1 d . . . O1 O 0.1358(7) 0.2066(7) 0.1114(5) 0.022(3) Uani 1 1 d . . . O2 O 0.0284(7) 0.2142(8) 0.1082(5) 0.027(4) Uani 1 1 d . . . O3 O 0.1412(8) 0.1811(8) -0.0238(5) 0.028(4) Uani 1 1 d . . . O4 O 0.0332(8) 0.1817(9) -0.0268(5) 0.031(4) Uani 1 1 d . . . O5 O 0.1347(8) 0.0900(9) 0.0549(6) 0.036(4) Uani 1 1 d . . . O6 O 0.0269(8) 0.0952(9) 0.0540(6) 0.036(4) Uani 1 1 d . . . O7 O 0.1416(8) 0.2956(9) 0.0356(6) 0.035(4) Uani 1 1 d . . . O8 O 0.0339(8) 0.2990(10) 0.0299(6) 0.041(5) Uani 1 1 d . . . O9 O 0.2507(7) 0.1881(9) 0.0485(5) 0.028(4) Uani 1 1 d . . . O10 O -0.0813(8) 0.1964(11) 0.0403(6) 0.041(4) Uani 1 1 d . . . O11 O 0.2568(13) 0.125(3) 0.1091(15) 0.18(2) Uani 1 1 d . . . H11 H 0.2292 0.1004 0.0983 0.268 Uiso 1 1 calc R . . O12 O -0.0944(15) 0.281(3) 0.083(2) 0.21(3) Uani 1 1 d . . . H12 H -0.0564 0.2869 0.0780 0.314 Uiso 1 1 calc R . . O13 O 0.1221(11) 0.0173(10) 0.1460(7) 0.054(6) Uani 1 1 d . . . O14 O 0.0398(12) 0.4210(13) 0.0921(8) 0.065(7) Uani 1 1 d . . . O15 O 0.3398(10) 0.2757(13) 0.1313(7) 0.059(6) Uani 1 1 d . . . O16 O -0.1558(16) 0.1656(17) 0.1443(8) 0.100(12) Uani 1 1 d . . . O17 O 0.1209(11) 0.1860(11) 0.3228(6) 0.047(5) Uani 1 1 d . . . H17 H 0.1299 0.2246 0.3142 0.071 Uiso 1 1 calc R . . O18 O 0.0452(11) 0.3626(12) 0.2972(7) 0.054(6) Uani 1 1 d . . . H18 H 0.0265 0.3273 0.3038 0.082 Uiso 1 1 calc R . . O19 O 0.1654(10) 0.3142(10) 0.3020(7) 0.047(5) Uani 1 1 d . . . H19 H 0.1308 0.3336 0.3002 0.070 Uiso 1 1 calc R . . O20 O -0.0004(11) 0.2360(12) 0.3182(7) 0.053(6) Uani 1 1 d . . . H20 H 0.0313 0.2133 0.3242 0.079 Uiso 1 1 calc R . . C1 C 0.0811(12) 0.2137(11) 0.1293(8) 0.028(5) Uani 1 1 d . . . C2 C 0.0781(13) 0.2246(15) 0.1793(9) 0.038(6) Uani 1 1 d . . . H2A H 0.0529 0.1891 0.1927 0.057 Uiso 1 1 calc R . . H2B H 0.0589 0.2682 0.1855 0.057 Uiso 1 1 calc R . . H2C H 0.1203 0.2236 0.1916 0.057 Uiso 1 1 calc R . . C3 C 0.0884(14) 0.1822(14) -0.0447(9) 0.039(6) Uani 1 1 d . . . C4 C 0.0917(16) 0.181(2) -0.0953(10) 0.061(10) Uani 1 1 d . . . H4A H 0.0500 0.1719 -0.1073 0.092 Uiso 1 1 calc R . . H4B H 0.1202 0.1451 -0.1047 0.092 Uiso 1 1 calc R . . H4C H 0.1068 0.2238 -0.1062 0.092 Uiso 1 1 calc R . . C5 C 0.0796(14) 0.0648(15) 0.0605(9) 0.038(6) Uani 1 1 d . . . C6 C 0.0892(14) 0.3265(14) 0.0307(8) 0.037(6) Uani 1 1 d . . . C7 C 0.2811(14) 0.1627(17) 0.0778(10) 0.045(7) Uani 1 1 d . . . C8 C -0.1138(17) 0.225(2) 0.0627(12) 0.060(10) Uani 1 1 d . . . C9 C 0.0751(15) -0.0099(16) 0.0752(11) 0.049(8) Uani 1 1 d . . . C10 C 0.0928(15) 0.4049(15) 0.0227(10) 0.046(7) Uani 1 1 d . . . C11 C 0.3524(13) 0.1735(16) 0.0826(10) 0.044(7) Uani 1 1 d . . . C12 C -0.1856(12) 0.2068(17) 0.0714(10) 0.044(7) Uani 1 1 d . . . C13 C 0.0836(18) -0.0548(17) 0.0331(12) 0.064(10) Uani 1 1 d . . . H13A H 0.0507 -0.0444 0.0118 0.095 Uiso 1 1 calc R . . H13B H 0.0810 -0.1021 0.0414 0.095 Uiso 1 1 calc R . . H13C H 0.1245 -0.0458 0.0199 0.095 Uiso 1 1 calc R . . C14 C 0.0099(16) -0.0253(18) 0.0970(13) 0.063(10) Uani 1 1 d . . . H14A H 0.0021 0.0067 0.1208 0.095 Uiso 1 1 calc R . . H14B H 0.0101 -0.0709 0.1090 0.095 Uiso 1 1 calc R . . H14C H -0.0230 -0.0214 0.0748 0.095 Uiso 1 1 calc R . . C15 C 0.1544(16) 0.4351(15) 0.0414(13) 0.061(10) Uani 1 1 d . . . H15A H 0.1557 0.4831 0.0351 0.091 Uiso 1 1 calc R . . H15B H 0.1902 0.4131 0.0276 0.091 Uiso 1 1 calc R . . H15C H 0.1559 0.4280 0.0733 0.091 Uiso 1 1 calc R . . C16 C 0.0881(19) 0.4150(19) -0.0283(11) 0.067(10) Uani 1 1 d . . . H16A H 0.0490 0.3955 -0.0391 0.100 Uiso 1 1 calc R . . H16B H 0.1235 0.3928 -0.0427 0.100 Uiso 1 1 calc R . . H16C H 0.0889 0.4629 -0.0351 0.100 Uiso 1 1 calc R . . C17 C 0.3839(14) 0.1540(18) 0.0379(11) 0.056(9) Uani 1 1 d . . . H17A H 0.3820 0.1054 0.0340 0.084 Uiso 1 1 calc R . . H17B H 0.4276 0.1685 0.0381 0.084 Uiso 1 1 calc R . . H17C H 0.3618 0.1760 0.0136 0.084 Uiso 1 1 calc R . . C18 C 0.3815(15) 0.132(2) 0.1210(12) 0.062(10) Uani 1 1 d . . . H18A H 0.3639 0.1476 0.1490 0.093 Uiso 1 1 calc R . . H18B H 0.4268 0.1388 0.1212 0.093 Uiso 1 1 calc R . . H18C H 0.3720 0.0848 0.1169 0.093 Uiso 1 1 calc R . . C19 C -0.2183(15) 0.186(2) 0.0279(10) 0.061(10) Uani 1 1 d . . . H19A H -0.1938 0.1513 0.0134 0.091 Uiso 1 1 calc R . . H19B H -0.2214 0.2253 0.0085 0.091 Uiso 1 1 calc R . . H19C H -0.2602 0.1693 0.0344 0.091 Uiso 1 1 calc R . . C20 C -0.2185(19) 0.268(2) 0.0937(13) 0.071(11) Uani 1 1 d . . . H20A H -0.2185 0.3058 0.0734 0.107 Uiso 1 1 calc R . . H20B H -0.1961 0.2798 0.1206 0.107 Uiso 1 1 calc R . . H20C H -0.2616 0.2557 0.1010 0.107 Uiso 1 1 calc R . . C21 C 0.1279(15) -0.0256(14) 0.1081(11) 0.048(8) Uani 1 1 d . . . H21A H 0.1255 -0.0730 0.1173 0.058 Uiso 1 1 calc R . . H21B H 0.1690 -0.0183 0.0938 0.058 Uiso 1 1 calc R . . C22 C 0.0357(16) 0.4385(15) 0.0456(12) 0.053(8) Uani 1 1 d . . . H22A H 0.0372 0.4877 0.0418 0.063 Uiso 1 1 calc R . . H22B H -0.0039 0.4216 0.0328 0.063 Uiso 1 1 calc R . . C23 C 0.3637(14) 0.2505(17) 0.0898(11) 0.051(8) Uani 1 1 d . . . H23A H 0.4091 0.2595 0.0884 0.061 Uiso 1 1 calc R . . H23B H 0.3436 0.2755 0.0655 0.061 Uiso 1 1 calc R . . C24 C -0.1856(19) 0.1475(19) 0.1038(12) 0.066(10) Uani 1 1 d . . . H24A H -0.2291 0.1336 0.1098 0.079 Uiso 1 1 calc R . . H24B H -0.1634 0.1092 0.0904 0.079 Uiso 1 1 calc R . . C25 C 0.1671(16) 0.0018(15) 0.1801(11) 0.051(8) Uani 1 1 d . . . H25A H 0.2100 0.0079 0.1686 0.061 Uiso 1 1 calc R . . H25B H 0.1624 -0.0455 0.1894 0.061 Uiso 1 1 calc R . . C26 C -0.0141(16) 0.4347(16) 0.1179(11) 0.052(8) Uani 1 1 d . . . H26A H -0.0499 0.4079 0.1072 0.062 Uiso 1 1 calc R . . H26B H -0.0252 0.4827 0.1156 0.062 Uiso 1 1 calc R . . C27 C 0.2799(14) 0.3113(17) 0.1292(10) 0.047(7) Uani 1 1 d . . . H27A H 0.2509 0.2877 0.1092 0.057 Uiso 1 1 calc R . . H27B H 0.2863 0.3573 0.1180 0.057 Uiso 1 1 calc R . . C28 C -0.1198(18) 0.1190(17) 0.1659(14) 0.069(12) Uani 1 1 d . . . H28A H -0.0862 0.1030 0.1461 0.083 Uiso 1 1 calc R . . H28B H -0.1459 0.0800 0.1741 0.083 Uiso 1 1 calc R . . C29 C 0.1565(15) 0.0479(14) 0.2192(10) 0.043(7) Uani 1 1 d . . . C30 C 0.0995(14) 0.0462(14) 0.2433(10) 0.042(7) Uani 1 1 d . . . H30 H 0.0694 0.0131 0.2363 0.051 Uiso 1 1 calc R . . C31 C 0.0865(14) 0.0925(14) 0.2775(10) 0.040(7) Uani 1 1 d . . . C32 C 0.1335(14) 0.1394(15) 0.2889(10) 0.041(7) Uani 1 1 d . . . C33 C 0.1912(13) 0.1417(14) 0.2666(10) 0.039(7) Uani 1 1 d . . . C34 C 0.2019(14) 0.0965(15) 0.2316(10) 0.042(7) Uani 1 1 d . . . H34 H 0.2403 0.0985 0.2161 0.050 Uiso 1 1 calc R . . C35 C 0.2530(13) 0.3133(15) 0.1760(10) 0.040(6) Uani 1 1 d . . . C36 C 0.2158(13) 0.3679(14) 0.1900(10) 0.041(7) Uani 1 1 d . . . H36 H 0.2104 0.4049 0.1708 0.049 Uiso 1 1 calc R . . C37 C 0.1864(14) 0.3689(14) 0.2317(10) 0.040(7) Uani 1 1 d . . . C38 C 0.1951(13) 0.3148(14) 0.2601(9) 0.039(6) Uani 1 1 d . . . C39 C 0.2333(12) 0.2591(14) 0.2480(10) 0.037(6) Uani 1 1 d . . . C40 C 0.2616(12) 0.2598(14) 0.2053(10) 0.038(6) Uani 1 1 d . . . H40 H 0.2869 0.2231 0.1966 0.046 Uiso 1 1 calc R . . C41 C 0.0002(14) 0.4167(14) 0.1656(10) 0.042(7) Uani 1 1 d . . . C42 C -0.0442(14) 0.3836(15) 0.1924(11) 0.043(7) Uani 1 1 d . . . H42 H -0.0841 0.3732 0.1807 0.052 Uiso 1 1 calc R . . C43 C -0.0299(14) 0.3656(14) 0.2365(11) 0.044(7) Uani 1 1 d . . . C44 C 0.0297(14) 0.3812(14) 0.2535(10) 0.041(7) Uani 1 1 d . . . C45 C 0.0752(14) 0.4155(13) 0.2275(10) 0.040(7) Uani 1 1 d . . . C46 C 0.0595(15) 0.4320(14) 0.1838(11) 0.044(7) Uani 1 1 d . . . H46 H 0.0895 0.4540 0.1659 0.053 Uiso 1 1 calc R . . C47 C -0.0909(14) 0.1495(16) 0.2073(11) 0.048(8) Uani 1 1 d . . . C48 C -0.0539(14) 0.1101(16) 0.2359(11) 0.047(8) Uani 1 1 d . . . H48 H -0.0491 0.0638 0.2296 0.057 Uiso 1 1 calc R . . C49 C -0.0238(13) 0.1365(15) 0.2731(10) 0.040(7) Uani 1 1 d . . . C50 C -0.0315(13) 0.2073(16) 0.2818(10) 0.043(7) Uani 1 1 d . . . C51 C -0.0701(13) 0.2477(15) 0.2550(10) 0.042(7) Uani 1 1 d . . . C52 C -0.0980(13) 0.2177(16) 0.2178(11) 0.047(8) Uani 1 1 d . . . H52 H -0.1228 0.2448 0.1991 0.057 Uiso 1 1 calc R . . C53 C 0.0216(14) 0.0929(16) 0.2999(10) 0.047(7) Uani 1 1 d . . . H53A H 0.0053 0.0466 0.3018 0.056 Uiso 1 1 calc R . . H53B H 0.0254 0.1108 0.3301 0.056 Uiso 1 1 calc R . . C54 C 0.2411(14) 0.1967(16) 0.2773(10) 0.046(7) Uani 1 1 d . . . H54A H 0.2372 0.2099 0.3086 0.056 Uiso 1 1 calc R . . H54B H 0.2833 0.1778 0.2729 0.056 Uiso 1 1 calc R . . C55 C 0.1424(15) 0.4286(13) 0.2442(10) 0.044(7) Uani 1 1 d . . . H55A H 0.1419 0.4342 0.2766 0.053 Uiso 1 1 calc R . . H55B H 0.1586 0.4705 0.2311 0.053 Uiso 1 1 calc R . . C56 C -0.0767(10) 0.3241(10) 0.2629(7) 0.049(8) Uani 1 1 d . . . H56A H -0.1196 0.3381 0.2548 0.059 Uiso 1 1 calc R . . H56B H -0.0709 0.3335 0.2946 0.059 Uiso 1 1 calc R . . C57 C 0.2211(10) 0.9602(10) 0.4358(7) 0.21(4) Uiso 1 1 d RD . . C58 C 0.2685(10) 0.9589(10) 0.4689(7) 0.14(2) Uani 1 1 d RD . . H58A H 0.2568 0.9889 0.4930 0.203 Uiso 1 1 calc R . . H58B H 0.3082 0.9736 0.4562 0.203 Uiso 1 1 calc R . . H58C H 0.2729 0.9132 0.4802 0.203 Uiso 1 1 calc R . . C59 C 0.2031(10) 0.9923(10) 0.3538(7) 0.20(4) Uani 1 1 d RD . . H59A H 0.1581 0.9866 0.3602 0.239 Uiso 1 1 calc R . . H59B H 0.2101 1.0393 0.3448 0.239 Uiso 1 1 calc R . . C60 C 0.2195(10) 0.9521(10) 0.3220(7) 0.13(2) Uani 1 1 d RD . . H60A H 0.2533 0.9726 0.3050 0.198 Uiso 1 1 calc R . . H60B H 0.1836 0.9440 0.3028 0.198 Uiso 1 1 calc R . . H60C H 0.2339 0.9095 0.3345 0.198 Uiso 1 1 calc R . . O21 O 0.1684(10) 0.9448(10) 0.4409(7) 0.39(6) Uiso 1 1 d RD . . O22 O 0.2428(10) 0.9764(10) 0.3968(7) 0.145(16) Uani 1 1 d RD . . 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 0.0215(9) 0.0369(11) 0.0298(10) -0.0043(9) -0.0010(8) 0.0009(8) Rh2 0.0216(10) 0.0478(13) 0.0303(10) -0.0021(10) -0.0022(8) 0.0002(9) O1 0.026(8) 0.010(7) 0.029(8) -0.002(6) -0.001(7) 0.007(6) O2 0.022(8) 0.028(9) 0.030(9) -0.003(7) 0.000(7) 0.004(7) O3 0.033(9) 0.021(8) 0.029(9) -0.001(7) 0.000(7) -0.004(7) O4 0.030(9) 0.035(10) 0.026(9) -0.004(7) -0.002(7) -0.002(8) O5 0.027(9) 0.032(10) 0.050(12) -0.008(9) 0.004(8) -0.001(8) O6 0.032(10) 0.036(10) 0.041(11) -0.004(8) -0.003(8) -0.004(8) O7 0.032(10) 0.031(10) 0.041(10) 0.000(8) 0.001(8) 0.006(8) O8 0.028(10) 0.045(11) 0.049(12) 0.004(9) -0.005(8) 0.008(9) O9 0.019(7) 0.035(9) 0.028(8) -0.009(8) -0.006(7) 0.003(7) O10 0.020(8) 0.072(13) 0.031(9) -0.001(10) 0.002(8) 0.002(10) O11 0.033(15) 0.28(5) 0.23(4) 0.21(4) -0.03(2) -0.03(2) O12 0.047(19) 0.21(5) 0.37(7) -0.23(5) -0.01(3) 0.00(2) O13 0.068(15) 0.033(11) 0.059(14) -0.004(10) -0.009(12) 0.014(10) O14 0.068(16) 0.076(17) 0.052(14) 0.015(13) 0.002(12) 0.031(14) O15 0.038(12) 0.088(18) 0.051(13) -0.014(12) -0.004(10) 0.009(12) O16 0.13(3) 0.14(3) 0.040(14) -0.008(15) -0.023(15) 0.09(2) O17 0.057(13) 0.045(12) 0.039(11) 0.002(10) -0.001(10) -0.010(11) O18 0.061(15) 0.061(15) 0.041(12) -0.009(11) 0.009(11) 0.005(12) O19 0.058(13) 0.036(12) 0.046(12) -0.004(9) 0.001(10) -0.015(10) O20 0.054(14) 0.065(15) 0.039(12) 0.005(11) 0.001(10) 0.004(11) C1 0.030(13) 0.019(12) 0.034(13) 0.001(10) 0.002(11) 0.002(10) C2 0.034(15) 0.048(17) 0.031(14) -0.003(12) 0.003(12) -0.001(13) C3 0.040(15) 0.042(16) 0.033(14) -0.006(13) -0.001(13) -0.007(13) C4 0.05(2) 0.10(3) 0.037(16) 0.001(17) 0.001(15) -0.02(2) C5 0.037(15) 0.045(16) 0.031(13) -0.007(12) -0.001(12) -0.001(13) C6 0.045(17) 0.039(15) 0.026(13) 0.004(11) 0.000(12) 0.008(13) C7 0.037(16) 0.056(19) 0.043(17) 0.011(15) -0.007(13) -0.004(14) C8 0.05(2) 0.09(3) 0.046(19) -0.009(19) -0.011(16) 0.005(19) C9 0.045(18) 0.040(17) 0.06(2) -0.003(15) 0.000(15) -0.008(14) C10 0.050(18) 0.039(16) 0.049(17) 0.013(14) 0.001(14) 0.008(14) C11 0.021(13) 0.06(2) 0.052(18) -0.006(15) -0.001(12) 0.000(13) C12 0.023(13) 0.07(2) 0.042(16) 0.002(15) 0.004(12) 0.009(14) C13 0.07(2) 0.045(18) 0.07(2) -0.020(17) -0.01(2) -0.009(18) C14 0.05(2) 0.05(2) 0.09(3) 0.012(19) 0.006(19) -0.006(17) C15 0.06(2) 0.029(16) 0.09(3) 0.017(18) 0.00(2) -0.016(14) C16 0.08(3) 0.06(2) 0.06(2) 0.028(18) 0.02(2) 0.02(2) C17 0.033(16) 0.07(2) 0.07(2) -0.006(19) 0.003(15) -0.001(15) C18 0.037(18) 0.08(3) 0.07(2) 0.01(2) -0.015(16) 0.002(17) C19 0.044(18) 0.10(3) 0.034(16) -0.014(18) -0.029(14) 0.013(19) C20 0.07(2) 0.08(3) 0.07(2) -0.01(2) -0.02(2) 0.02(2) C21 0.055(19) 0.025(14) 0.06(2) -0.001(14) 0.001(16) 0.008(13) C22 0.06(2) 0.029(15) 0.07(2) 0.018(15) 0.010(17) 0.011(14) C23 0.034(16) 0.06(2) 0.055(19) -0.005(16) 0.001(14) -0.011(15) C24 0.06(2) 0.07(2) 0.07(2) 0.00(2) -0.014(19) 0.014(19) C25 0.06(2) 0.027(15) 0.06(2) 0.000(14) -0.007(17) 0.013(14) C26 0.06(2) 0.034(16) 0.06(2) 0.008(15) -0.004(17) 0.003(14) C27 0.042(16) 0.048(18) 0.052(18) -0.005(15) 0.002(14) -0.006(14) C28 0.07(2) 0.037(18) 0.10(3) 0.011(19) -0.05(2) -0.006(17) C29 0.048(18) 0.030(15) 0.052(18) 0.009(13) -0.010(14) 0.005(13) C30 0.043(17) 0.028(14) 0.057(19) 0.007(13) -0.012(14) -0.003(12) C31 0.038(15) 0.038(15) 0.045(16) 0.016(13) -0.008(13) -0.003(13) C32 0.043(17) 0.038(16) 0.041(16) 0.008(13) -0.006(13) -0.002(13) C33 0.035(15) 0.037(15) 0.047(17) 0.011(13) -0.005(13) 0.002(12) C34 0.037(16) 0.041(17) 0.048(17) 0.011(14) -0.003(13) 0.004(13) C35 0.030(13) 0.039(16) 0.050(16) -0.007(14) -0.005(13) -0.008(12) C36 0.038(16) 0.032(15) 0.052(18) -0.001(13) -0.007(13) -0.008(12) C37 0.041(16) 0.034(15) 0.045(16) -0.006(13) -0.002(13) -0.009(13) C38 0.039(15) 0.034(15) 0.043(16) -0.007(13) -0.004(12) -0.013(12) C39 0.027(14) 0.039(15) 0.044(16) -0.002(13) -0.007(12) -0.011(12) C40 0.029(14) 0.031(15) 0.054(17) -0.006(13) 0.000(13) -0.004(11) C41 0.047(17) 0.029(14) 0.049(17) -0.005(13) -0.001(14) 0.010(13) C42 0.036(15) 0.037(16) 0.058(19) -0.004(14) 0.005(14) 0.003(13) C43 0.044(17) 0.029(15) 0.058(19) -0.003(14) 0.013(15) 0.009(13) C44 0.046(17) 0.031(15) 0.045(17) -0.006(13) 0.010(14) 0.011(13) C45 0.045(17) 0.019(12) 0.057(18) -0.007(12) 0.006(14) 0.000(12) C46 0.055(19) 0.024(14) 0.053(18) 0.000(13) 0.011(15) 0.003(13) C47 0.036(16) 0.043(17) 0.07(2) 0.008(15) -0.007(15) -0.006(14) C48 0.034(16) 0.042(17) 0.07(2) 0.014(15) -0.003(15) 0.000(13) C49 0.033(15) 0.043(17) 0.045(17) 0.012(13) 0.006(13) -0.006(13) C50 0.035(15) 0.056(19) 0.038(15) 0.009(14) 0.009(12) 0.000(14) C51 0.030(15) 0.043(16) 0.054(18) 0.003(14) 0.011(13) -0.004(12) C52 0.028(15) 0.046(18) 0.07(2) 0.014(16) -0.004(14) 0.000(12) C53 0.045(17) 0.045(18) 0.051(18) 0.014(15) 0.001(14) -0.011(14) C54 0.035(15) 0.052(18) 0.052(17) 0.002(15) -0.009(13) 0.007(14) C55 0.055(18) 0.026(14) 0.051(18) -0.012(13) -0.001(15) -0.006(13) C56 0.040(17) 0.054(19) 0.052(18) 0.001(15) 0.012(14) 0.012(14) C58 0.13(5) 0.09(4) 0.18(6) 0.00(4) -0.09(5) 0.03(3) C59 0.24(10) 0.22(9) 0.13(6) -0.05(6) -0.03(7) -0.04(8) C60 0.10(4) 0.21(7) 0.09(4) -0.02(4) -0.01(3) 0.03(5) O22 0.18(4) 0.18(4) 0.08(2) 0.00(3) 0.00(3) -0.06(3) _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 O7 2.025(17) . ? Rh1 O3 2.029(16) . ? Rh1 O1 2.030(15) . ? Rh1 O5 2.045(18) . ? Rh1 O9 2.311(16) . ? Rh1 Rh2 2.374(3) . ? Rh2 O8 2.02(2) . ? Rh2 O2 2.034(16) . ? Rh2 O6 2.035(18) . ? Rh2 O4 2.039(16) . ? Rh2 O10 2.293(17) . ? O1 C1 1.27(3) . ? O2 C1 1.27(3) . ? O3 C3 1.27(3) . ? O4 C3 1.27(3) . ? O5 C5 1.27(3) . ? O6 C5 1.27(3) . ? O7 C6 1.26(3) . ? O8 C6 1.28(3) . ? O9 C7 1.19(3) . ? O10 C8 1.10(4) . ? O11 C7 1.29(4) . ? O11 H11 0.8200 . ? O12 C8 1.32(5) . ? O12 H12 0.8200 . ? O13 C21 1.41(4) . ? O13 C25 1.42(4) . ? O14 C26 1.39(4) . ? O14 C22 1.43(4) . ? O15 C23 1.42(4) . ? O15 C27 1.44(4) . ? O16 C28 1.35(4) . ? O16 C24 1.40(4) . ? O17 C32 1.39(3) . ? O17 H17 0.8200 . ? O18 C44 1.39(4) . ? O18 H18 0.8200 . ? O19 C38 1.40(3) . ? O19 H19 0.8200 . ? O20 C50 1.39(4) . ? O20 H20 0.8200 . ? C1 C2 1.50(3) . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C3 C4 1.51(4) . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 C9 1.53(4) . ? C6 C10 1.55(4) . ? C7 C11 1.52(4) . ? C8 C12 1.57(4) . ? C9 C21 1.51(4) . ? C9 C13 1.54(4) . ? C9 C14 1.54(4) . ? C10 C15 1.53(4) . ? C10 C22 1.53(4) . ? C10 C16 1.54(4) . ? C11 C18 1.52(4) . ? C11 C17 1.53(4) . ? C11 C23 1.54(4) . ? C12 C24 1.51(5) . ? C12 C19 1.52(4) . ? C12 C20 1.53(4) . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 C29 1.49(4) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 C41 1.49(4) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 C35 1.51(4) . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C28 C47 1.50(5) . ? C28 H28A 0.9700 . ? C28 H28B 0.9700 . ? C29 C30 1.39(4) . ? C29 C34 1.40(4) . ? C30 C31 1.39(4) . ? C30 H30 0.9300 . ? C31 C32 1.39(4) . ? C31 C53 1.52(4) . ? C32 C33 1.38(4) . ? C33 C34 1.38(4) . ? C33 C54 1.54(4) . ? C34 H34 0.9300 . ? C35 C40 1.37(4) . ? C35 C36 1.39(4) . ? C36 C37 1.39(4) . ? C36 H36 0.9300 . ? C37 C38 1.37(4) . ? C37 C55 1.53(4) . ? C38 C39 1.40(4) . ? C39 C40 1.40(4) . ? C39 C54 1.51(4) . ? C40 H40 0.9300 . ? C41 C42 1.39(4) . ? C41 C46 1.39(4) . ? C42 C43 1.39(4) . ? C42 H42 0.9300 . ? C43 C44 1.38(4) . ? C43 C56 1.50(3) . ? C44 C45 1.40(4) . ? C45 C46 1.38(4) . ? C45 C55 1.52(4) . ? C46 H46 0.9300 . ? C47 C52 1.38(4) . ? C47 C48 1.39(4) . ? C48 C49 1.38(4) . ? C48 H48 0.9300 . ? C49 C50 1.42(4) . ? C49 C53 1.51(4) . ? C50 C51 1.39(4) . ? C51 C52 1.38(4) . ? C51 C56 1.52(3) . ? C52 H52 0.9300 . ? C53 H53A 0.9700 . ? C53 H53B 0.9700 . ? C54 H54A 0.9700 . ? C54 H54B 0.9700 . ? C55 H55A 0.9700 . ? C55 H55B 0.9700 . ? C56 H56A 0.9700 . ? C56 H56B 0.9700 . ? C57 O21 1.1565 . ? C57 O22 1.2868 . ? C57 C58 1.4006 . ? C58 H58A 0.9600 . ? C58 H58B 0.9600 . ? C58 H58C 0.9600 . ? C59 C60 1.2784 . ? C59 O22 1.5600 . ? C59 H59A 0.9700 . ? C59 H59B 0.9700 . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? 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 O7 Rh1 O3 89.5(7) . . ? O7 Rh1 O1 89.4(6) . . ? O3 Rh1 O1 177.0(6) . . ? O7 Rh1 O5 176.1(7) . . ? O3 Rh1 O5 92.7(7) . . ? O1 Rh1 O5 88.2(7) . . ? O7 Rh1 O9 92.3(7) . . ? O3 Rh1 O9 92.9(6) . . ? O1 Rh1 O9 89.9(6) . . ? O5 Rh1 O9 90.8(6) . . ? O7 Rh1 Rh2 88.2(5) . . ? O3 Rh1 Rh2 88.2(5) . . ? O1 Rh1 Rh2 88.9(4) . . ? O5 Rh1 Rh2 88.7(5) . . ? O9 Rh1 Rh2 178.8(4) . . ? O8 Rh2 O2 89.8(7) . . ? O8 Rh2 O6 176.5(7) . . ? O2 Rh2 O6 88.3(7) . . ? O8 Rh2 O4 89.1(7) . . ? O2 Rh2 O4 176.5(7) . . ? O6 Rh2 O4 92.6(7) . . ? O8 Rh2 O10 93.9(7) . . ? O2 Rh2 O10 90.8(6) . . ? O6 Rh2 O10 89.1(7) . . ? O4 Rh2 O10 92.6(7) . . ? O8 Rh2 Rh1 88.8(5) . . ? O2 Rh2 Rh1 87.8(4) . . ? O6 Rh2 Rh1 88.2(5) . . ? O4 Rh2 Rh1 88.8(5) . . ? O10 Rh2 Rh1 177.0(5) . . ? C1 O1 Rh1 118.5(15) . . ? C1 O2 Rh2 119.4(15) . . ? C3 O3 Rh1 118.7(17) . . ? C3 O4 Rh2 117.4(16) . . ? C5 O5 Rh1 117.5(17) . . ? C5 O6 Rh2 118.6(17) . . ? C6 O7 Rh1 118.9(18) . . ? C6 O8 Rh2 117.9(17) . . ? C7 O9 Rh1 126.6(18) . . ? C8 O10 Rh2 128(2) . . ? C7 O11 H11 109.5 . . ? C8 O12 H12 109.5 . . ? C21 O13 C25 113(2) . . ? C26 O14 C22 116(2) . . ? C23 O15 C27 116(2) . . ? C28 O16 C24 119(3) . . ? C32 O17 H17 109.5 . . ? C44 O18 H18 109.5 . . ? C38 O19 H19 109.5 . . ? C50 O20 H20 109.5 . . ? O1 C1 O2 125(2) . . ? O1 C1 C2 118(2) . . ? O2 C1 C2 117(2) . . ? C1 C2 H2A 109.5 . . ? C1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? C1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? O3 C3 O4 126(2) . . ? O3 C3 C4 117(3) . . ? O4 C3 C4 117(3) . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? O5 C5 O6 126(3) . . ? O5 C5 C9 118(3) . . ? O6 C5 C9 116(3) . . ? O7 C6 O8 126(3) . . ? O7 C6 C10 117(3) . . ? O8 C6 C10 117(2) . . ? O9 C7 O11 124(3) . . ? O9 C7 C11 123(3) . . ? O11 C7 C11 114(3) . . ? O10 C8 O12 120(4) . . ? O10 C8 C12 126(3) . . ? O12 C8 C12 114(3) . . ? C21 C9 C5 110(2) . . ? C21 C9 C13 109(3) . . ? C5 C9 C13 108(3) . . ? C21 C9 C14 110(3) . . ? C5 C9 C14 111(3) . . ? C13 C9 C14 109(3) . . ? C15 C10 C22 110(3) . . ? C15 C10 C16 111(3) . . ? C22 C10 C16 110(3) . . ? C15 C10 C6 112(2) . . ? C22 C10 C6 109(2) . . ? C16 C10 C6 106(3) . . ? C7 C11 C18 113(3) . . ? C7 C11 C17 108(2) . . ? C18 C11 C17 110(3) . . ? C7 C11 C23 108(2) . . ? C18 C11 C23 111(3) . . ? C17 C11 C23 107(3) . . ? C24 C12 C19 110(3) . . ? C24 C12 C20 109(3) . . ? C19 C12 C20 112(3) . . ? C24 C12 C8 106(3) . . ? C19 C12 C8 111(3) . . ? C20 C12 C8 109(3) . . ? C9 C13 H13A 109.5 . . ? C9 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C9 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C9 C14 H14A 109.5 . . ? C9 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C9 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C10 C15 H15A 109.5 . . ? C10 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C10 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C10 C16 H16A 109.5 . . ? C10 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C10 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C11 C17 H17A 109.5 . . ? C11 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C11 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C11 C18 H18A 109.5 . . ? C11 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C11 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C12 C19 H19A 109.5 . . ? C12 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C12 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C12 C20 H20A 109.5 . . ? C12 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C12 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? O13 C21 C9 109(2) . . ? O13 C21 H21A 109.8 . . ? C9 C21 H21A 109.8 . . ? O13 C21 H21B 109.8 . . ? C9 C21 H21B 109.8 . . ? H21A C21 H21B 108.2 . . ? O14 C22 C10 106(2) . . ? O14 C22 H22A 110.5 . . ? C10 C22 H22A 110.5 . . ? O14 C22 H22B 110.5 . . ? C10 C22 H22B 110.5 . . ? H22A C22 H22B 108.7 . . ? O15 C23 C11 114(3) . . ? O15 C23 H23A 108.8 . . ? C11 C23 H23A 108.8 . . ? O15 C23 H23B 108.8 . . ? C11 C23 H23B 108.8 . . ? H23A C23 H23B 107.7 . . ? O16 C24 C12 111(3) . . ? O16 C24 H24A 109.5 . . ? C12 C24 H24A 109.5 . . ? O16 C24 H24B 109.5 . . ? C12 C24 H24B 109.5 . . ? H24A C24 H24B 108.1 . . ? O13 C25 C29 109(2) . . ? O13 C25 H25A 109.9 . . ? C29 C25 H25A 109.9 . . ? O13 C25 H25B 109.9 . . ? C29 C25 H25B 109.9 . . ? H25A C25 H25B 108.3 . . ? O14 C26 C41 108(3) . . ? O14 C26 H26A 110.0 . . ? C41 C26 H26A 110.0 . . ? O14 C26 H26B 110.0 . . ? C41 C26 H26B 110.0 . . ? H26A C26 H26B 108.4 . . ? O15 C27 C35 108(2) . . ? O15 C27 H27A 110.2 . . ? C35 C27 H27A 110.2 . . ? O15 C27 H27B 110.2 . . ? C35 C27 H27B 110.2 . . ? H27A C27 H27B 108.5 . . ? O16 C28 C47 110(3) . . ? O16 C28 H28A 109.6 . . ? C47 C28 H28A 109.6 . . ? O16 C28 H28B 109.6 . . ? C47 C28 H28B 109.6 . . ? H28A C28 H28B 108.1 . . ? C30 C29 C34 118(3) . . ? C30 C29 C25 121(3) . . ? C34 C29 C25 121(3) . . ? C31 C30 C29 122(3) . . ? C31 C30 H30 119.0 . . ? C29 C30 H30 119.0 . . ? C30 C31 C32 118(3) . . ? C30 C31 C53 120(3) . . ? C32 C31 C53 122(3) . . ? C33 C32 O17 120(3) . . ? C33 C32 C31 122(3) . . ? O17 C32 C31 119(3) . . ? C32 C33 C34 119(3) . . ? C32 C33 C54 121(3) . . ? C34 C33 C54 120(3) . . ? C33 C34 C29 122(3) . . ? C33 C34 H34 119.2 . . ? C29 C34 H34 119.2 . . ? C40 C35 C36 118(3) . . ? C40 C35 C27 121(3) . . ? C36 C35 C27 121(3) . . ? C35 C36 C37 122(3) . . ? C35 C36 H36 119.0 . . ? C37 C36 H36 119.0 . . ? C38 C37 C36 119(3) . . ? C38 C37 C55 121(3) . . ? C36 C37 C55 120(3) . . ? C37 C38 O19 120(3) . . ? C37 C38 C39 121(3) . . ? O19 C38 C39 119(3) . . ? C38 C39 C40 118(3) . . ? C38 C39 C54 123(3) . . ? C40 C39 C54 119(3) . . ? C35 C40 C39 122(3) . . ? C35 C40 H40 119.1 . . ? C39 C40 H40 119.1 . . ? C42 C41 C46 119(3) . . ? C42 C41 C26 121(3) . . ? C46 C41 C26 120(3) . . ? C41 C42 C43 121(3) . . ? C41 C42 H42 119.4 . . ? C43 C42 H42 119.4 . . ? C44 C43 C42 119(3) . . ? C44 C43 C56 121(3) . . ? C42 C43 C56 119(3) . . ? C43 C44 O18 120(3) . . ? C43 C44 C45 121(3) . . ? O18 C44 C45 119(3) . . ? C46 C45 C44 118(3) . . ? C46 C45 C55 119(3) . . ? C44 C45 C55 122(3) . . ? C45 C46 C41 122(3) . . ? C45 C46 H46 119.0 . . ? C41 C46 H46 119.0 . . ? C52 C47 C48 117(3) . . ? C52 C47 C28 122(3) . . ? C48 C47 C28 121(3) . . ? C49 C48 C47 123(3) . . ? C49 C48 H48 118.6 . . ? C47 C48 H48 118.6 . . ? C48 C49 C50 117(3) . . ? C48 C49 C53 120(3) . . ? C50 C49 C53 122(3) . . ? O20 C50 C51 120(3) . . ? O20 C50 C49 119(3) . . ? C51 C50 C49 121(3) . . ? C52 C51 C50 118(3) . . ? C52 C51 C56 120(3) . . ? C50 C51 C56 122(3) . . ? C47 C52 C51 123(3) . . ? C47 C52 H52 118.4 . . ? C51 C52 H52 118.4 . . ? C49 C53 C31 110(2) . . ? C49 C53 H53A 109.7 . . ? C31 C53 H53A 109.7 . . ? C49 C53 H53B 109.7 . . ? C31 C53 H53B 109.7 . . ? H53A C53 H53B 108.2 . . ? C39 C54 C33 112(2) . . ? C39 C54 H54A 109.2 . . ? C33 C54 H54A 109.2 . . ? C39 C54 H54B 109.2 . . ? C33 C54 H54B 109.2 . . ? H54A C54 H54B 107.9 . . ? C45 C55 C37 110(2) . . ? C45 C55 H55A 109.6 . . ? C37 C55 H55A 109.6 . . ? C45 C55 H55B 109.6 . . ? C37 C55 H55B 109.6 . . ? H55A C55 H55B 108.1 . . ? C43 C56 C51 113.1(19) . . ? C43 C56 H56A 109.0 . . ? C51 C56 H56A 109.0 . . ? C43 C56 H56B 109.0 . . ? C51 C56 H56B 109.0 . . ? H56A C56 H56B 107.8 . . ? O21 C57 O22 121.3 . . ? O21 C57 C58 125.7 . . ? O22 C57 C58 112.8 . . ? C57 C58 H58A 109.5 . . ? C57 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? C57 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? C60 C59 O22 110.0 . . ? C60 C59 H59A 109.7 . . ? O22 C59 H59A 109.7 . . ? C60 C59 H59B 109.7 . . ? O22 C59 H59B 109.7 . . ? H59A C59 H59B 108.2 . . ? C59 C60 H60A 109.5 . . ? C59 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C59 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C57 O22 C59 126.9 . . ? 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 O7 Rh1 Rh2 O8 2.3(8) . . . . ? O3 Rh1 Rh2 O8 -87.2(7) . . . . ? O1 Rh1 Rh2 O8 91.8(7) . . . . ? O5 Rh1 Rh2 O8 -179.9(8) . . . . ? O9 Rh1 Rh2 O8 112(20) . . . . ? O7 Rh1 Rh2 O2 -87.5(7) . . . . ? O3 Rh1 Rh2 O2 -177.1(6) . . . . ? O1 Rh1 Rh2 O2 1.9(6) . . . . ? O5 Rh1 Rh2 O2 90.2(7) . . . . ? O9 Rh1 Rh2 O2 22(20) . . . . ? O7 Rh1 Rh2 O6 -175.9(7) . . . . ? O3 Rh1 Rh2 O6 94.5(7) . . . . ? O1 Rh1 Rh2 O6 -86.5(7) . . . . ? O5 Rh1 Rh2 O6 1.8(8) . . . . ? O9 Rh1 Rh2 O6 -66(20) . . . . ? O7 Rh1 Rh2 O4 91.5(7) . . . . ? O3 Rh1 Rh2 O4 1.9(7) . . . . ? O1 Rh1 Rh2 O4 -179.1(6) . . . . ? O5 Rh1 Rh2 O4 -90.8(7) . . . . ? O9 Rh1 Rh2 O4 -159(20) . . . . ? O7 Rh1 Rh2 O10 -150(10) . . . . ? O3 Rh1 Rh2 O10 120(10) . . . . ? O1 Rh1 Rh2 O10 -61(10) . . . . ? O5 Rh1 Rh2 O10 27(10) . . . . ? O9 Rh1 Rh2 O10 -41(23) . . . . ? O7 Rh1 O1 C1 87.1(16) . . . . ? O3 Rh1 O1 C1 18(13) . . . . ? O5 Rh1 O1 C1 -89.9(16) . . . . ? O9 Rh1 O1 C1 179.3(16) . . . . ? Rh2 Rh1 O1 C1 -1.1(15) . . . . ? O8 Rh2 O2 C1 -92.2(17) . . . . ? O6 Rh2 O2 C1 84.8(17) . . . . ? O4 Rh2 O2 C1 -20(12) . . . . ? O10 Rh2 O2 C1 173.9(17) . . . . ? Rh1 Rh2 O2 C1 -3.4(16) . . . . ? O7 Rh1 O3 C3 -85.7(18) . . . . ? O1 Rh1 O3 C3 -17(13) . . . . ? O5 Rh1 O3 C3 91.2(18) . . . . ? O9 Rh1 O3 C3 -177.9(18) . . . . ? Rh2 Rh1 O3 C3 2.5(18) . . . . ? O8 Rh2 O4 C3 81.9(19) . . . . ? O2 Rh2 O4 C3 10(12) . . . . ? O6 Rh2 O4 C3 -95.0(19) . . . . ? O10 Rh2 O4 C3 175.8(19) . . . . ? Rh1 Rh2 O4 C3 -6.9(18) . . . . ? O7 Rh1 O5 C5 30(12) . . . . ? O3 Rh1 O5 C5 -94.5(19) . . . . ? O1 Rh1 O5 C5 82.7(19) . . . . ? O9 Rh1 O5 C5 172.6(19) . . . . ? Rh2 Rh1 O5 C5 -6.3(18) . . . . ? O8 Rh2 O6 C5 -28(14) . . . . ? O2 Rh2 O6 C5 -85.8(19) . . . . ? O4 Rh2 O6 C5 90.8(19) . . . . ? O10 Rh2 O6 C5 -176.6(19) . . . . ? Rh1 Rh2 O6 C5 2.1(18) . . . . ? O3 Rh1 O7 C6 86.6(19) . . . . ? O1 Rh1 O7 C6 -90.6(18) . . . . ? O5 Rh1 O7 C6 -38(12) . . . . ? O9 Rh1 O7 C6 179.5(18) . . . . ? Rh2 Rh1 O7 C6 -1.7(18) . . . . ? O2 Rh2 O8 C6 84.1(19) . . . . ? O6 Rh2 O8 C6 26(14) . . . . ? O4 Rh2 O8 C6 -92.6(19) . . . . ? O10 Rh2 O8 C6 174.9(19) . . . . ? Rh1 Rh2 O8 C6 -3.8(18) . . . . ? O7 Rh1 O9 C7 127(2) . . . . ? O3 Rh1 O9 C7 -144(2) . . . . ? O1 Rh1 O9 C7 37(2) . . . . ? O5 Rh1 O9 C7 -51(2) . . . . ? Rh2 Rh1 O9 C7 17(21) . . . . ? O8 Rh2 O10 C8 -60(3) . . . . ? O2 Rh2 O10 C8 30(3) . . . . ? O6 Rh2 O10 C8 119(3) . . . . ? O4 Rh2 O10 C8 -149(3) . . . . ? Rh1 Rh2 O10 C8 93(11) . . . . ? Rh1 O1 C1 O2 -1(3) . . . . ? Rh1 O1 C1 C2 -179.4(17) . . . . ? Rh2 O2 C1 O1 4(3) . . . . ? Rh2 O2 C1 C2 -178.3(16) . . . . ? Rh1 O3 C3 O4 -9(4) . . . . ? Rh1 O3 C3 C4 174(2) . . . . ? Rh2 O4 C3 O3 11(4) . . . . ? Rh2 O4 C3 C4 -172(2) . . . . ? Rh1 O5 C5 O6 10(4) . . . . ? Rh1 O5 C5 C9 -171.6(19) . . . . ? Rh2 O6 C5 O5 -8(4) . . . . ? Rh2 O6 C5 C9 173.6(18) . . . . ? Rh1 O7 C6 O8 -1(3) . . . . ? Rh1 O7 C6 C10 -177.8(17) . . . . ? Rh2 O8 C6 O7 4(3) . . . . ? Rh2 O8 C6 C10 -179.4(18) . . . . ? Rh1 O9 C7 O11 10(6) . . . . ? Rh1 O9 C7 C11 -168(2) . . . . ? Rh2 O10 C8 O12 24(6) . . . . ? Rh2 O10 C8 C12 -160(2) . . . . ? O5 C5 C9 C21 38(4) . . . . ? O6 C5 C9 C21 -144(3) . . . . ? O5 C5 C9 C13 -81(3) . . . . ? O6 C5 C9 C13 97(3) . . . . ? O5 C5 C9 C14 159(3) . . . . ? O6 C5 C9 C14 -22(4) . . . . ? O7 C6 C10 C15 -24(4) . . . . ? O8 C6 C10 C15 159(3) . . . . ? O7 C6 C10 C22 -145(3) . . . . ? O8 C6 C10 C22 38(3) . . . . ? O7 C6 C10 C16 97(3) . . . . ? O8 C6 C10 C16 -80(3) . . . . ? O9 C7 C11 C18 -177(3) . . . . ? O11 C7 C11 C18 5(5) . . . . ? O9 C7 C11 C17 -54(4) . . . . ? O11 C7 C11 C17 128(4) . . . . ? O9 C7 C11 C23 61(4) . . . . ? O11 C7 C11 C23 -117(4) . . . . ? O10 C8 C12 C24 78(4) . . . . ? O12 C8 C12 C24 -105(5) . . . . ? O10 C8 C12 C19 -41(5) . . . . ? O12 C8 C12 C19 135(5) . . . . ? O10 C8 C12 C20 -165(4) . . . . ? O12 C8 C12 C20 12(5) . . . . ? C25 O13 C21 C9 175(3) . . . . ? C5 C9 C21 O13 60(3) . . . . ? C13 C9 C21 O13 178(3) . . . . ? C14 C9 C21 O13 -63(3) . . . . ? C26 O14 C22 C10 -168(3) . . . . ? C15 C10 C22 O14 -63(3) . . . . ? C16 C10 C22 O14 174(3) . . . . ? C6 C10 C22 O14 59(3) . . . . ? C27 O15 C23 C11 -101(3) . . . . ? C7 C11 C23 O15 67(3) . . . . ? C18 C11 C23 O15 -57(3) . . . . ? C17 C11 C23 O15 -177(2) . . . . ? C28 O16 C24 C12 -143(4) . . . . ? C19 C12 C24 O16 -180(3) . . . . ? C20 C12 C24 O16 -57(4) . . . . ? C8 C12 C24 O16 61(4) . . . . ? C21 O13 C25 C29 -178(3) . . . . ? C22 O14 C26 C41 -177(3) . . . . ? C23 O15 C27 C35 162(3) . . . . ? C24 O16 C28 C47 178(3) . . . . ? O13 C25 C29 C30 63(4) . . . . ? O13 C25 C29 C34 -114(3) . . . . ? C34 C29 C30 C31 2(4) . . . . ? C25 C29 C30 C31 -175(3) . . . . ? C29 C30 C31 C32 -3(4) . . . . ? C29 C30 C31 C53 174(3) . . . . ? C30 C31 C32 C33 2(4) . . . . ? C53 C31 C32 C33 -176(3) . . . . ? C30 C31 C32 O17 180(2) . . . . ? C53 C31 C32 O17 2(4) . . . . ? O17 C32 C33 C34 -178(2) . . . . ? C31 C32 C33 C34 1(4) . . . . ? O17 C32 C33 C54 -2(4) . . . . ? C31 C32 C33 C54 176(3) . . . . ? C32 C33 C34 C29 -1(4) . . . . ? C54 C33 C34 C29 -177(3) . . . . ? C30 C29 C34 C33 0(4) . . . . ? C25 C29 C34 C33 177(3) . . . . ? O15 C27 C35 C40 -35(4) . . . . ? O15 C27 C35 C36 148(3) . . . . ? C40 C35 C36 C37 -2(4) . . . . ? C27 C35 C36 C37 175(3) . . . . ? C35 C36 C37 C38 1(4) . . . . ? C35 C36 C37 C55 -176(3) . . . . ? C36 C37 C38 O19 -179(2) . . . . ? C55 C37 C38 O19 -2(4) . . . . ? C36 C37 C38 C39 0(4) . . . . ? C55 C37 C38 C39 178(2) . . . . ? C37 C38 C39 C40 -1(4) . . . . ? O19 C38 C39 C40 179(2) . . . . ? C37 C38 C39 C54 -176(3) . . . . ? O19 C38 C39 C54 3(4) . . . . ? C36 C35 C40 C39 1(4) . . . . ? C27 C35 C40 C39 -176(2) . . . . ? C38 C39 C40 C35 0(4) . . . . ? C54 C39 C40 C35 176(2) . . . . ? O14 C26 C41 C42 -139(3) . . . . ? O14 C26 C41 C46 40(4) . . . . ? C46 C41 C42 C43 0(4) . . . . ? C26 C41 C42 C43 178(3) . . . . ? C41 C42 C43 C44 0(4) . . . . ? C41 C42 C43 C56 -174(2) . . . . ? C42 C43 C44 O18 -179(2) . . . . ? C56 C43 C44 O18 -5(4) . . . . ? C42 C43 C44 C45 1(4) . . . . ? C56 C43 C44 C45 175(2) . . . . ? C43 C44 C45 C46 -2(4) . . . . ? O18 C44 C45 C46 178(2) . . . . ? C43 C44 C45 C55 -176(2) . . . . ? O18 C44 C45 C55 4(4) . . . . ? C44 C45 C46 C41 1(4) . . . . ? C55 C45 C46 C41 175(2) . . . . ? C42 C41 C46 C45 0(4) . . . . ? C26 C41 C46 C45 -179(3) . . . . ? O16 C28 C47 C52 -5(5) . . . . ? O16 C28 C47 C48 178(3) . . . . ? C52 C47 C48 C49 -1(5) . . . . ? C28 C47 C48 C49 177(3) . . . . ? C47 C48 C49 C50 0(4) . . . . ? C47 C48 C49 C53 -173(3) . . . . ? C48 C49 C50 O20 -178(3) . . . . ? C53 C49 C50 O20 -5(4) . . . . ? C48 C49 C50 C51 3(4) . . . . ? C53 C49 C50 C51 175(3) . . . . ? O20 C50 C51 C52 177(2) . . . . ? C49 C50 C51 C52 -4(4) . . . . ? O20 C50 C51 C56 3(4) . . . . ? C49 C50 C51 C56 -178(2) . . . . ? C48 C47 C52 C51 0(5) . . . . ? C28 C47 C52 C51 -178(3) . . . . ? C50 C51 C52 C47 2(4) . . . . ? C56 C51 C52 C47 176(3) . . . . ? C48 C49 C53 C31 82(3) . . . . ? C50 C49 C53 C31 -91(3) . . . . ? C30 C31 C53 C49 -85(3) . . . . ? C32 C31 C53 C49 92(3) . . . . ? C38 C39 C54 C33 90(3) . . . . ? C40 C39 C54 C33 -85(3) . . . . ? C32 C33 C54 C39 -91(3) . . . . ? C34 C33 C54 C39 84(3) . . . . ? C46 C45 C55 C37 -84(3) . . . . ? C44 C45 C55 C37 90(3) . . . . ? C38 C37 C55 C45 -91(3) . . . . ? C36 C37 C55 C45 86(3) . . . . ? C44 C43 C56 C51 -89(3) . . . . ? C42 C43 C56 C51 85(3) . . . . ? C52 C51 C56 C43 -82(3) . . . . ? C50 C51 C56 C43 92(3) . . . . ? O21 C57 O22 C59 13.1 . . . . ? C58 C57 O22 C59 -171.2 . . . . ? C60 C59 O22 C57 -122.8 . . . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 26.36 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 1.207 _refine_diff_density_min -1.207 _refine_diff_density_rms 0.123