Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2003 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 222 loop_ _publ_author_name _publ_author_address 'Wolfgang Braun' ; Institut fur Anorganische Chemie Professor-Pirlet-Str. 1 D-52074 Aachen Bundesrepublik Deutschland ; 'Albrecht Salzer' ; Institut fur Anorganische Chemie Professor-Pirlet-Str. 1 D-52074 Aachen Bundesrepublik Deutschland ; 'Hans-Joachim Drexler' ; Institut fur Organische Katalyseforschung Buchbinderstr. 5-6 D-18055 Rostock Bundesrepublik Deutschland ; 'Anke Spannenberg' ; Institut fur Organische Katalyseforschung Buchbinderstr. 5-6 D-18055 Rostock Bundesrepublik Deutschland ; 'Detlef Heller' ; Institut fur Organische Katalyseforschung Buchbinderstr. 5-6 D-18055 Rostock Bundesrepublik Deutschland ; _publ_contact_author_name 'Prof Albrecht Salzer' _publ_contact_author_address ; Institut fur Anorganische Chemie Professor-Pirlet-Str 1 Aachen D-52074 GERMANY ; _publ_contact_author_phone '049 381 466 9348' _publ_contact_author_fax '049 381 466 9324' _publ_contact_author_email hans-joachim.drexler@ifok.uni-rostock.de #====================================================================== # 2. TITLE AND AUTHOR LIST _publ_section_title ; Investigations into the Hydrogenation of Diolefins and prochiral Olefins employing the "Daniphos"-Ligands ; # The loop structure below should contain the names and addresses of # all authors, in the required order of publication. Repeat as # necessary. #====================================================================== data_comp7 _database_code_CSD 195664 _audit_creation_method SHELXL-97 _chemical_name_systematic ; (pR,R)-[1-(a-(Dicyclohexylphosphanyl)-ethyl)-2-(diphenylphosphanyl) -h6-benzene)Cr(CO)3 ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C43 H52 B Cr F4 O4 P2 Rh' _chemical_formula_weight 936.51 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' B B 0.0013 0.0007 '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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 12.214(2) _cell_length_b 16.428(3) _cell_length_c 21.749(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 4364.0(15) _cell_formula_units_Z 4 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 5000 _cell_measurement_theta_min 4 _cell_measurement_theta_max 20 _exptl_crystal_description rod _exptl_crystal_colour red _exptl_crystal_size_max 0.5 _exptl_crystal_size_mid 0.3 _exptl_crystal_size_min 0.2 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.425 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1928 _exptl_absorpt_coefficient_mu 0.757 _exptl_absorpt_correction_type 'mean imaging plate intensity method' _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(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 STOE-IPDS _diffrn_measurement_method 'laser scanned imaging plate' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 50-200 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 360 _diffrn_standards_decay_% ? _diffrn_reflns_number 16101 _diffrn_reflns_av_R_equivalents 0.0575 _diffrn_reflns_av_sigmaI/netI 0.0766 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.55 _diffrn_reflns_theta_max 21.00 _reflns_number_total 4472 _reflns_number_gt 3690 _reflns_threshold_expression >2sigma(I) _computing_data_collection STOE-EXPOSE _computing_cell_refinement STOE-CELL _computing_data_reduction STOE-INTEGRATE _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP (Siemens)' _computing_publication_material SHELXL-97 _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^)+(0.0240P)^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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.04(3) _refine_ls_number_reflns 4472 _refine_ls_number_parameters 505 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0468 _refine_ls_R_factor_gt 0.0347 _refine_ls_wR_factor_ref 0.0639 _refine_ls_wR_factor_gt 0.0612 _refine_ls_goodness_of_fit_ref 0.940 _refine_ls_restrained_S_all 0.940 _refine_ls_shift/su_max 0.000 _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 -0.20587(5) -0.37832(3) -0.03431(2) 0.02634(15) Uani 1 1 d . . . Cr1 Cr -0.33853(10) -0.69468(6) -0.10031(5) 0.0286(3) Uani 1 1 d . . . P1 P -0.34238(16) -0.46524(10) -0.06478(8) 0.0241(5) Uani 1 1 d . . . P2 P -0.10030(17) -0.48693(11) -0.00195(9) 0.0255(5) Uani 1 1 d . . . O1 O -0.3334(4) -0.8758(3) -0.1181(2) 0.0563(15) Uani 1 1 d . . . O2 O -0.5713(5) -0.6974(3) -0.1416(2) 0.0581(17) Uani 1 1 d . . . O3 O -0.4088(4) -0.7215(3) 0.0299(3) 0.0464(13) Uani 1 1 d . . . C1 C -0.2932(6) -0.5627(3) -0.0972(3) 0.0229(16) Uani 1 1 d . . . C2 C -0.3173(6) -0.5856(3) -0.1575(3) 0.0233(18) Uani 1 1 d . . . H2A H -0.3834 -0.5615 -0.1776 0.028 Uiso 1 1 calc R . . C3 C -0.2636(6) -0.6507(4) -0.1870(3) 0.033(2) Uani 1 1 d . . . H3A H -0.2911 -0.6712 -0.2274 0.039 Uiso 1 1 calc R . . C4 C -0.1849(6) -0.6947(4) -0.1546(3) 0.0271(18) Uani 1 1 d . . . H4A H -0.1570 -0.7471 -0.1720 0.033 Uiso 1 1 calc R . . C5 C -0.1605(6) -0.6744(4) -0.0936(3) 0.0268(18) Uani 1 1 d . . . H5A H -0.1157 -0.7133 -0.0686 0.032 Uiso 1 1 calc R . . C6 C -0.2120(6) -0.6086(4) -0.0633(3) 0.0223(16) Uani 1 1 d . . . C7 C -0.1802(6) -0.5855(4) 0.0012(3) 0.0249(19) Uani 1 1 d . . . H7A H -0.2504 -0.5719 0.0225 0.030 Uiso 1 1 calc R . . C8 C -0.1287(5) -0.6549(3) 0.0390(3) 0.0302(18) Uani 1 1 d . . . H8A H -0.1772 -0.7023 0.0383 0.045 Uiso 1 1 calc R . . H8B H -0.1182 -0.6368 0.0815 0.045 Uiso 1 1 calc R . . H8C H -0.0577 -0.6696 0.0212 0.045 Uiso 1 1 calc R . . C9 C -0.3360(6) -0.8055(5) -0.1111(3) 0.038(2) Uani 1 1 d . . . C10 C -0.4818(7) -0.6950(4) -0.1249(3) 0.037(2) Uani 1 1 d . . . C11 C -0.3818(6) -0.7109(4) -0.0212(3) 0.031(2) Uani 1 1 d . . . C12 C -0.4338(6) -0.4897(4) -0.0004(3) 0.0230(18) Uani 1 1 d . . . C13 C -0.4176(6) -0.4502(4) 0.0549(3) 0.033(2) Uani 1 1 d . . . H13A H -0.3606 -0.4112 0.0586 0.040 Uiso 1 1 calc R . . C14 C -0.4832(7) -0.4669(5) 0.1047(3) 0.046(2) Uani 1 1 d . . . H14A H -0.4705 -0.4397 0.1426 0.056 Uiso 1 1 calc R . . C15 C -0.5675(7) -0.5228(5) 0.1001(4) 0.048(2) Uani 1 1 d . . . H15A H -0.6125 -0.5343 0.1347 0.058 Uiso 1 1 calc R . . C16 C -0.5854(6) -0.5615(4) 0.0448(4) 0.047(2) Uani 1 1 d . . . H16A H -0.6433 -0.5999 0.0409 0.056 Uiso 1 1 calc R . . C17 C -0.5190(6) -0.5445(4) -0.0049(3) 0.033(2) Uani 1 1 d . . . H17A H -0.5323 -0.5711 -0.0429 0.040 Uiso 1 1 calc R . . C18 C -0.4287(7) -0.4244(4) -0.1246(3) 0.030(2) Uani 1 1 d . . . C19 C -0.5408(7) -0.4136(4) -0.1191(3) 0.041(2) Uani 1 1 d . . . H19A H -0.5778 -0.4341 -0.0839 0.050 Uiso 1 1 calc R . . C20 C -0.6002(7) -0.3728(5) -0.1648(4) 0.051(2) Uani 1 1 d . . . H20A H -0.6772 -0.3665 -0.1606 0.061 Uiso 1 1 calc R . . C21 C -0.5492(8) -0.3423(5) -0.2148(4) 0.050(2) Uani 1 1 d . . . H21A H -0.5906 -0.3143 -0.2451 0.060 Uiso 1 1 calc R . . C22 C -0.4379(8) -0.3514(4) -0.2226(3) 0.042(2) Uani 1 1 d . . . H22A H -0.4026 -0.3303 -0.2581 0.050 Uiso 1 1 calc R . . C23 C -0.3783(6) -0.3915(4) -0.1779(3) 0.036(2) Uani 1 1 d . . . H23A H -0.3014 -0.3972 -0.1830 0.043 Uiso 1 1 calc R . . C24 C 0.0183(6) -0.4973(4) -0.0543(3) 0.0308(19) Uani 1 1 d . . . H24A H 0.0651 -0.4488 -0.0454 0.037 Uiso 1 1 calc R . . C25 C 0.0937(6) -0.5707(4) -0.0437(3) 0.0390(19) Uani 1 1 d . . . H25A H 0.1170 -0.5720 -0.0001 0.047 Uiso 1 1 calc R . . H25B H 0.0530 -0.6215 -0.0524 0.047 Uiso 1 1 calc R . . C26 C 0.1935(7) -0.5663(5) -0.0846(3) 0.053(2) Uani 1 1 d . . . H26A H 0.2375 -0.5180 -0.0734 0.063 Uiso 1 1 calc R . . H26B H 0.2393 -0.6153 -0.0780 0.063 Uiso 1 1 calc R . . C27 C 0.1621(8) -0.5611(5) -0.1511(4) 0.063(3) Uani 1 1 d . . . H27A H 0.1233 -0.6116 -0.1631 0.076 Uiso 1 1 calc R . . H27B H 0.2291 -0.5568 -0.1764 0.076 Uiso 1 1 calc R . . C28 C 0.0885(7) -0.4880(5) -0.1639(4) 0.059(3) Uani 1 1 d . . . H28A H 0.0651 -0.4888 -0.2074 0.070 Uiso 1 1 calc R . . H28B H 0.1301 -0.4371 -0.1567 0.070 Uiso 1 1 calc R . . C29 C -0.0122(7) -0.4893(4) -0.1224(3) 0.042(2) Uani 1 1 d . . . H29A H -0.0597 -0.5355 -0.1343 0.050 Uiso 1 1 calc R . . H29B H -0.0544 -0.4384 -0.1285 0.050 Uiso 1 1 calc R . . C30 C -0.0440(6) -0.4829(4) 0.0761(3) 0.0285(19) Uani 1 1 d . . . H30A H -0.0115 -0.5376 0.0847 0.034 Uiso 1 1 calc R . . C31 C -0.1344(6) -0.4697(4) 0.1234(3) 0.033(2) Uani 1 1 d . . . H31A H -0.1723 -0.4179 0.1142 0.040 Uiso 1 1 calc R . . H31B H -0.1887 -0.5142 0.1196 0.040 Uiso 1 1 calc R . . C32 C -0.0926(7) -0.4672(5) 0.1893(3) 0.049(2) Uani 1 1 d . . . H32A H -0.0604 -0.5205 0.2003 0.058 Uiso 1 1 calc R . . H32B H -0.1542 -0.4562 0.2177 0.058 Uiso 1 1 calc R . . C33 C -0.0060(7) -0.4006(5) 0.1961(3) 0.056(3) Uani 1 1 d . . . H33A H -0.0393 -0.3468 0.1878 0.067 Uiso 1 1 calc R . . H33B H 0.0225 -0.4004 0.2387 0.067 Uiso 1 1 calc R . . C34 C 0.0866(7) -0.4157(5) 0.1515(3) 0.048(2) Uani 1 1 d . . . H34A H 0.1235 -0.4674 0.1625 0.058 Uiso 1 1 calc R . . H34B H 0.1410 -0.3714 0.1554 0.058 Uiso 1 1 calc R . . C35 C 0.0478(6) -0.4205(4) 0.0848(3) 0.040(2) Uani 1 1 d . . . H35A H 0.1104 -0.4354 0.0582 0.048 Uiso 1 1 calc R . . H35B H 0.0213 -0.3662 0.0717 0.048 Uiso 1 1 calc R . . C36 C -0.3042(7) -0.2666(3) -0.0418(3) 0.0372(18) Uani 1 1 d . . . H36A H -0.3858 -0.2668 -0.0452 0.045 Uiso 1 1 calc R . . C37 C -0.2358(6) -0.2699(4) -0.0920(3) 0.0316(19) Uani 1 1 d . . . H37A H -0.2635 -0.2735 -0.1352 0.038 Uiso 1 1 calc R . . C38 C -0.1320(6) -0.2247(4) -0.0748(3) 0.034(2) Uani 1 1 d . . . H38A H -0.0833 -0.2071 -0.1093 0.041 Uiso 1 1 calc R . . C39 C -0.0822(6) -0.2818(4) -0.0265(3) 0.033(2) Uani 1 1 d . . . H39A H -0.0019 -0.2930 -0.0235 0.039 Uiso 1 1 calc R . . C40 C -0.1493(6) -0.2780(4) 0.0233(3) 0.0360(19) Uani 1 1 d . . . H40A H -0.1222 -0.2861 0.0663 0.043 Uiso 1 1 calc R . . C41 C -0.2419(6) -0.2182(4) 0.0073(3) 0.042(2) Uani 1 1 d . . . H41A H -0.2857 -0.1959 0.0423 0.051 Uiso 1 1 calc R . . C42 C -0.1787(5) -0.1566(4) -0.0325(3) 0.0354(19) Uani 1 1 d . . . H42A H -0.1214 -0.1269 -0.0095 0.042 Uiso 1 1 calc R . . H42B H -0.2271 -0.1180 -0.0545 0.042 Uiso 1 1 calc R . . B1 B -0.3717(10) -0.2558(7) 0.1831(4) 0.051(3) Uani 1 1 d . . . F1 F -0.3223(4) -0.2060(3) 0.22394(17) 0.0660(15) Uani 1 1 d . . . F2 F -0.4602(5) -0.2918(4) 0.2080(2) 0.0935(19) Uani 1 1 d . . . F3 F -0.4017(4) -0.2135(3) 0.13069(19) 0.0751(16) Uani 1 1 d . . . F4 F -0.2985(6) -0.3134(4) 0.1649(2) 0.110(2) Uani 1 1 d . . . O100 O -0.6419(7) -0.1803(6) 0.2374(3) 0.136(3) Uani 1 1 d . . . C100 C -0.6310(12) -0.1623(10) 0.2990(5) 0.161(7) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Rh1 0.0259(4) 0.0196(3) 0.0335(3) -0.0006(3) -0.0020(3) -0.0020(3) Cr1 0.0309(9) 0.0209(6) 0.0342(7) -0.0022(5) -0.0003(6) -0.0018(5) P1 0.0258(14) 0.0178(11) 0.0287(10) -0.0030(8) 0.0007(9) 0.0012(9) P2 0.0254(14) 0.0233(11) 0.0278(11) -0.0009(9) -0.0009(9) -0.0011(9) O1 0.073(5) 0.024(3) 0.071(3) -0.006(3) 0.012(3) -0.002(3) O2 0.032(5) 0.062(4) 0.081(4) 0.009(3) -0.011(3) -0.014(3) O3 0.053(4) 0.043(3) 0.043(3) 0.003(3) 0.000(3) -0.008(3) C1 0.023(5) 0.023(4) 0.023(4) 0.002(3) 0.012(4) 0.007(4) C2 0.032(6) 0.021(4) 0.017(4) -0.006(3) 0.005(3) 0.005(3) C3 0.039(6) 0.026(4) 0.033(4) -0.004(3) 0.003(4) -0.011(4) C4 0.031(6) 0.023(4) 0.028(4) -0.005(3) 0.004(3) 0.003(4) C5 0.023(5) 0.016(4) 0.042(5) 0.007(3) 0.004(4) 0.000(3) C6 0.016(4) 0.018(4) 0.034(4) 0.000(3) 0.004(3) 0.002(4) C7 0.021(6) 0.026(4) 0.028(4) -0.007(3) 0.004(3) 0.003(3) C8 0.032(5) 0.023(4) 0.035(4) 0.011(4) -0.003(4) 0.001(3) C9 0.043(6) 0.032(5) 0.039(4) -0.005(4) -0.004(4) -0.001(4) C10 0.027(7) 0.030(5) 0.053(5) 0.001(4) -0.001(4) -0.004(4) C11 0.035(6) 0.020(4) 0.038(5) 0.000(4) -0.006(4) 0.003(3) C12 0.023(6) 0.029(4) 0.017(4) -0.010(3) 0.000(3) 0.008(4) C13 0.031(6) 0.030(5) 0.039(5) 0.011(4) 0.002(4) 0.005(4) C14 0.056(7) 0.054(6) 0.029(5) 0.003(4) 0.006(5) 0.014(5) C15 0.051(7) 0.044(5) 0.050(6) 0.009(5) 0.023(5) 0.012(5) C16 0.026(6) 0.039(5) 0.075(7) 0.003(5) 0.018(5) -0.002(4) C17 0.027(6) 0.025(4) 0.048(5) -0.006(4) 0.004(4) -0.003(4) C18 0.033(7) 0.022(4) 0.034(5) 0.000(3) -0.005(4) 0.002(4) C19 0.038(7) 0.042(5) 0.044(5) 0.006(4) -0.005(4) -0.001(4) C20 0.043(6) 0.050(5) 0.060(6) -0.008(5) -0.010(5) 0.019(5) C21 0.061(8) 0.044(5) 0.044(6) 0.001(4) -0.029(5) 0.008(5) C22 0.056(8) 0.029(5) 0.040(5) 0.001(4) -0.010(4) 0.007(4) C23 0.038(6) 0.032(5) 0.038(5) -0.003(4) -0.007(4) -0.002(4) C24 0.033(5) 0.027(4) 0.032(5) -0.006(3) 0.000(3) -0.003(4) C25 0.036(6) 0.037(4) 0.044(5) -0.005(4) 0.005(4) 0.004(4) C26 0.027(6) 0.062(6) 0.069(6) -0.004(4) 0.021(5) 0.014(4) C27 0.054(8) 0.068(6) 0.068(7) -0.006(5) 0.028(5) 0.012(5) C28 0.056(7) 0.077(7) 0.042(5) 0.000(5) 0.028(5) -0.010(5) C29 0.049(6) 0.036(5) 0.040(5) 0.004(4) 0.001(4) -0.004(4) C30 0.033(6) 0.022(4) 0.031(5) 0.000(3) -0.008(4) -0.005(4) C31 0.045(6) 0.034(5) 0.021(4) 0.006(3) 0.011(4) -0.009(4) C32 0.056(7) 0.056(6) 0.035(5) -0.007(4) 0.002(4) 0.001(5) C33 0.087(8) 0.053(6) 0.029(5) -0.008(4) -0.011(5) -0.005(5) C34 0.066(7) 0.043(5) 0.036(5) -0.002(4) -0.016(5) -0.013(5) C35 0.028(6) 0.048(5) 0.045(5) 0.004(4) -0.008(4) -0.007(4) C36 0.024(5) 0.019(4) 0.069(5) -0.012(4) 0.000(5) 0.008(4) C37 0.031(6) 0.024(4) 0.040(4) 0.004(3) -0.012(4) 0.001(4) C38 0.033(6) 0.028(5) 0.042(5) -0.001(4) 0.012(4) -0.014(4) C39 0.026(5) 0.028(4) 0.044(5) -0.006(4) -0.010(5) -0.006(3) C40 0.050(6) 0.027(4) 0.032(5) -0.001(4) -0.007(4) -0.012(4) C41 0.051(7) 0.021(4) 0.055(5) -0.009(4) 0.022(4) -0.003(4) C42 0.026(6) 0.029(4) 0.052(4) -0.005(4) -0.008(4) -0.001(3) B1 0.059(9) 0.057(7) 0.036(6) 0.006(6) -0.013(6) -0.003(7) F1 0.086(4) 0.063(3) 0.049(3) 0.012(2) -0.021(3) -0.021(3) F2 0.084(5) 0.125(5) 0.072(4) 0.019(3) 0.005(3) -0.053(4) F3 0.077(4) 0.098(4) 0.050(3) 0.023(3) -0.024(3) 0.000(3) F4 0.124(6) 0.108(5) 0.097(4) -0.018(3) 0.002(4) 0.057(5) O100 0.095(7) 0.199(9) 0.114(6) -0.017(6) -0.021(5) 0.057(6) C100 0.163(15) 0.231(17) 0.088(9) -0.070(10) -0.049(9) 0.050(11) _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 C40 2.183(6) . ? Rh1 C36 2.199(6) . ? Rh1 C39 2.196(7) . ? Rh1 C37 2.209(6) . ? Rh1 P1 2.2932(19) . ? Rh1 P2 2.311(2) . ? Cr1 C11 1.820(8) . ? Cr1 C10 1.830(9) . ? Cr1 C9 1.836(8) . ? Cr1 C2 2.197(6) . ? Cr1 C5 2.205(7) . ? Cr1 C3 2.216(6) . ? Cr1 C4 2.217(7) . ? Cr1 C1 2.239(6) . ? Cr1 C6 2.245(7) . ? P1 C18 1.804(7) . ? P1 C12 1.835(7) . ? P1 C1 1.849(6) . ? P2 C30 1.834(6) . ? P2 C24 1.850(7) . ? P2 C7 1.892(7) . ? O1 C9 1.166(8) . ? O2 C10 1.152(8) . ? O3 C11 1.171(7) . ? C1 C2 1.396(8) . ? C1 C6 1.448(9) . ? C2 C3 1.410(8) . ? C2 H2A 1.0000 . ? C3 C4 1.394(9) . ? C3 H3A 1.0000 . ? C4 C5 1.402(8) . ? C4 H4A 1.0000 . ? C5 C6 1.414(8) . ? C5 H5A 1.0000 . ? C6 C7 1.503(8) . ? C7 C8 1.539(8) . ? C7 H7A 1.0000 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C12 C17 1.380(9) . ? C12 C13 1.381(8) . ? C13 C14 1.374(10) . ? C13 H13A 0.9500 . ? C14 C15 1.384(11) . ? C14 H14A 0.9500 . ? C15 C16 1.378(10) . ? C15 H15A 0.9500 . ? C16 C17 1.380(10) . ? C16 H16A 0.9500 . ? C17 H17A 0.9500 . ? C18 C19 1.387(10) . ? C18 C23 1.420(9) . ? C19 C20 1.403(10) . ? C19 H19A 0.9500 . ? C20 C21 1.349(10) . ? C20 H20A 0.9500 . ? C21 C22 1.378(11) . ? C21 H21A 0.9500 . ? C22 C23 1.381(9) . ? C22 H22A 0.9500 . ? C23 H23A 0.9500 . ? C24 C29 1.533(9) . ? C24 C25 1.534(9) . ? C24 H24A 1.0000 . ? C25 C26 1.511(10) . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C26 C27 1.498(10) . ? C26 H26A 0.9900 . ? C26 H26B 0.9900 . ? C27 C28 1.526(11) . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C28 C29 1.526(10) . ? C28 H28A 0.9900 . ? C28 H28B 0.9900 . ? C29 H29A 0.9900 . ? C29 H29B 0.9900 . ? C30 C31 1.525(9) . ? C30 C35 1.530(9) . ? C30 H30A 1.0000 . ? C31 C32 1.522(9) . ? C31 H31A 0.9900 . ? C31 H31B 0.9900 . ? C32 C33 1.528(10) . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 C34 1.512(10) . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? C34 C35 1.529(9) . ? C34 H34A 0.9900 . ? C34 H34B 0.9900 . ? C35 H35A 0.9900 . ? C35 H35B 0.9900 . ? C36 C37 1.376(9) . ? C36 C41 1.533(9) . ? C36 H36A 1.0000 . ? C37 C38 1.516(9) . ? C37 H37A 1.0000 . ? C38 C39 1.534(9) . ? C38 C42 1.557(9) . ? C38 H38A 1.0000 . ? C39 C40 1.361(9) . ? C39 H39A 1.0000 . ? C40 C41 1.538(10) . ? C40 H40A 1.0000 . ? C41 C42 1.540(9) . ? C41 H41A 1.0000 . ? C42 H42A 0.9900 . ? C42 H42B 0.9900 . ? B1 F1 1.349(10) . ? B1 F2 1.346(11) . ? B1 F4 1.361(11) . ? B1 F3 1.385(10) . ? O100 C100 1.380(11) . ? 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 C40 Rh1 C36 65.5(3) . . ? C40 Rh1 C39 36.2(2) . . ? C36 Rh1 C39 77.2(3) . . ? C40 Rh1 C37 76.7(2) . . ? C36 Rh1 C37 36.4(2) . . ? C39 Rh1 C37 64.9(3) . . ? C40 Rh1 P1 150.0(2) . . ? C36 Rh1 P1 95.8(2) . . ? C39 Rh1 P1 166.4(2) . . ? C37 Rh1 P1 102.56(18) . . ? C40 Rh1 P2 103.4(2) . . ? C36 Rh1 P2 166.27(19) . . ? C39 Rh1 P2 98.64(19) . . ? C37 Rh1 P2 152.6(2) . . ? P1 Rh1 P2 90.74(7) . . ? C11 Cr1 C10 89.9(3) . . ? C11 Cr1 C9 88.9(3) . . ? C10 Cr1 C9 88.6(3) . . ? C11 Cr1 C2 133.6(3) . . ? C10 Cr1 C2 87.1(3) . . ? C9 Cr1 C2 137.3(3) . . ? C11 Cr1 C5 104.2(3) . . ? C10 Cr1 C5 164.4(3) . . ? C9 Cr1 C5 98.1(3) . . ? C2 Cr1 C5 78.4(2) . . ? C11 Cr1 C3 166.4(3) . . ? C10 Cr1 C3 98.5(3) . . ? C9 Cr1 C3 102.0(3) . . ? C2 Cr1 C3 37.3(2) . . ? C5 Cr1 C3 66.4(3) . . ? C11 Cr1 C4 138.6(3) . . ? C10 Cr1 C4 130.8(3) . . ? C9 Cr1 C4 85.2(3) . . ? C2 Cr1 C4 66.4(2) . . ? C5 Cr1 C4 37.0(2) . . ? C3 Cr1 C4 36.6(2) . . ? C11 Cr1 C1 100.7(3) . . ? C10 Cr1 C1 104.4(3) . . ? C9 Cr1 C1 163.8(3) . . ? C2 Cr1 C1 36.7(2) . . ? C5 Cr1 C1 66.9(2) . . ? C3 Cr1 C1 66.9(2) . . ? C4 Cr1 C1 78.9(2) . . ? C11 Cr1 C6 87.3(3) . . ? C10 Cr1 C6 139.9(3) . . ? C9 Cr1 C6 131.2(3) . . ? C2 Cr1 C6 66.9(2) . . ? C5 Cr1 C6 37.0(2) . . ? C3 Cr1 C6 79.4(2) . . ? C4 Cr1 C6 67.0(2) . . ? C1 Cr1 C6 37.7(2) . . ? C18 P1 C12 106.0(3) . . ? C18 P1 C1 103.7(3) . . ? C12 P1 C1 107.4(3) . . ? C18 P1 Rh1 113.7(2) . . ? C12 P1 Rh1 111.0(2) . . ? C1 P1 Rh1 114.4(3) . . ? C30 P2 C24 106.2(3) . . ? C30 P2 C7 101.0(3) . . ? C24 P2 C7 110.3(3) . . ? C30 P2 Rh1 117.6(2) . . ? C24 P2 Rh1 108.7(2) . . ? C7 P2 Rh1 112.6(2) . . ? C2 C1 C6 118.8(5) . . ? C2 C1 P1 121.5(5) . . ? C6 C1 P1 118.7(4) . . ? C2 C1 Cr1 70.0(3) . . ? C6 C1 Cr1 71.4(3) . . ? P1 C1 Cr1 140.3(4) . . ? C1 C2 C3 122.3(7) . . ? C1 C2 Cr1 73.3(3) . . ? C3 C2 Cr1 72.1(4) . . ? C1 C2 H2A 118.4 . . ? C3 C2 H2A 118.4 . . ? Cr1 C2 H2A 118.4 . . ? C4 C3 C2 119.0(6) . . ? C4 C3 Cr1 71.7(4) . . ? C2 C3 Cr1 70.6(3) . . ? C4 C3 H3A 120.0 . . ? C2 C3 H3A 120.0 . . ? Cr1 C3 H3A 120.0 . . ? C3 C4 C5 120.1(6) . . ? C3 C4 Cr1 71.6(4) . . ? C5 C4 Cr1 71.1(4) . . ? C3 C4 H4A 119.4 . . ? C5 C4 H4A 119.4 . . ? Cr1 C4 H4A 119.4 . . ? C4 C5 C6 121.9(6) . . ? C4 C5 Cr1 72.0(4) . . ? C6 C5 Cr1 73.0(4) . . ? C4 C5 H5A 118.6 . . ? C6 C5 H5A 118.6 . . ? Cr1 C5 H5A 118.6 . . ? C5 C6 C1 117.8(5) . . ? C5 C6 C7 120.8(6) . . ? C1 C6 C7 121.4(6) . . ? C5 C6 Cr1 70.0(4) . . ? C1 C6 Cr1 71.0(4) . . ? C7 C6 Cr1 132.2(4) . . ? C6 C7 C8 114.7(5) . . ? C6 C7 P2 108.4(4) . . ? C8 C7 P2 116.2(5) . . ? C6 C7 H7A 105.5 . . ? C8 C7 H7A 105.5 . . ? P2 C7 H7A 105.5 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O1 C9 Cr1 179.4(7) . . ? O2 C10 Cr1 177.7(7) . . ? O3 C11 Cr1 179.4(6) . . ? C17 C12 C13 118.4(6) . . ? C17 C12 P1 123.3(5) . . ? C13 C12 P1 118.4(5) . . ? C14 C13 C12 120.6(7) . . ? C14 C13 H13A 119.7 . . ? C12 C13 H13A 119.7 . . ? C13 C14 C15 120.6(8) . . ? C13 C14 H14A 119.7 . . ? C15 C14 H14A 119.7 . . ? C16 C15 C14 119.2(7) . . ? C16 C15 H15A 120.4 . . ? C14 C15 H15A 120.4 . . ? C17 C16 C15 119.8(7) . . ? C17 C16 H16A 120.1 . . ? C15 C16 H16A 120.1 . . ? C16 C17 C12 121.4(7) . . ? C16 C17 H17A 119.3 . . ? C12 C17 H17A 119.3 . . ? C19 C18 C23 116.8(7) . . ? C19 C18 P1 124.2(6) . . ? C23 C18 P1 118.5(6) . . ? C18 C19 C20 120.7(7) . . ? C18 C19 H19A 119.6 . . ? C20 C19 H19A 119.6 . . ? C21 C20 C19 120.7(8) . . ? C21 C20 H20A 119.7 . . ? C19 C20 H20A 119.7 . . ? C20 C21 C22 121.0(7) . . ? C20 C21 H21A 119.5 . . ? C22 C21 H21A 119.5 . . ? C21 C22 C23 119.0(8) . . ? C21 C22 H22A 120.5 . . ? C23 C22 H22A 120.5 . . ? C22 C23 C18 121.8(8) . . ? C22 C23 H23A 119.1 . . ? C18 C23 H23A 119.1 . . ? C29 C24 C25 111.0(6) . . ? C29 C24 P2 113.3(5) . . ? C25 C24 P2 116.8(5) . . ? C29 C24 H24A 104.8 . . ? C25 C24 H24A 104.8 . . ? P2 C24 H24A 104.8 . . ? C26 C25 C24 111.0(6) . . ? C26 C25 H25A 109.4 . . ? C24 C25 H25A 109.4 . . ? C26 C25 H25B 109.4 . . ? C24 C25 H25B 109.4 . . ? H25A C25 H25B 108.0 . . ? C27 C26 C25 111.4(7) . . ? C27 C26 H26A 109.4 . . ? C25 C26 H26A 109.4 . . ? C27 C26 H26B 109.4 . . ? C25 C26 H26B 109.4 . . ? H26A C26 H26B 108.0 . . ? C26 C27 C28 111.8(7) . . ? C26 C27 H27A 109.3 . . ? C28 C27 H27A 109.3 . . ? C26 C27 H27B 109.3 . . ? C28 C27 H27B 109.3 . . ? H27A C27 H27B 107.9 . . ? C27 C28 C29 110.9(7) . . ? C27 C28 H28A 109.5 . . ? C29 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? C29 C28 H28B 109.5 . . ? H28A C28 H28B 108.1 . . ? C28 C29 C24 112.1(7) . . ? C28 C29 H29A 109.2 . . ? C24 C29 H29A 109.2 . . ? C28 C29 H29B 109.2 . . ? C24 C29 H29B 109.2 . . ? H29A C29 H29B 107.9 . . ? C31 C30 C35 110.6(6) . . ? C31 C30 P2 111.0(5) . . ? C35 C30 P2 114.4(5) . . ? C31 C30 H30A 106.8 . . ? C35 C30 H30A 106.8 . . ? P2 C30 H30A 106.8 . . ? C32 C31 C30 113.3(6) . . ? C32 C31 H31A 108.9 . . ? C30 C31 H31A 108.9 . . ? C32 C31 H31B 108.9 . . ? C30 C31 H31B 108.9 . . ? H31A C31 H31B 107.7 . . ? C31 C32 C33 110.1(6) . . ? C31 C32 H32A 109.6 . . ? C33 C32 H32A 109.6 . . ? C31 C32 H32B 109.6 . . ? C33 C32 H32B 109.6 . . ? H32A C32 H32B 108.2 . . ? C34 C33 C32 109.8(6) . . ? C34 C33 H33A 109.7 . . ? C32 C33 H33A 109.7 . . ? C34 C33 H33B 109.7 . . ? C32 C33 H33B 109.7 . . ? H33A C33 H33B 108.2 . . ? C33 C34 C35 112.7(7) . . ? C33 C34 H34A 109.1 . . ? C35 C34 H34A 109.1 . . ? C33 C34 H34B 109.1 . . ? C35 C34 H34B 109.1 . . ? H34A C34 H34B 107.8 . . ? C34 C35 C30 112.2(6) . . ? C34 C35 H35A 109.2 . . ? C30 C35 H35A 109.2 . . ? C34 C35 H35B 109.2 . . ? C30 C35 H35B 109.2 . . ? H35A C35 H35B 107.9 . . ? C37 C36 C41 105.8(7) . . ? C37 C36 Rh1 72.2(4) . . ? C41 C36 Rh1 96.3(4) . . ? C37 C36 H36A 123.2 . . ? C41 C36 H36A 123.2 . . ? Rh1 C36 H36A 123.2 . . ? C36 C37 C38 107.0(6) . . ? C36 C37 Rh1 71.4(4) . . ? C38 C37 Rh1 96.7(4) . . ? C36 C37 H37A 122.9 . . ? C38 C37 H37A 122.9 . . ? Rh1 C37 H37A 122.9 . . ? C37 C38 C39 101.6(5) . . ? C37 C38 C42 101.0(6) . . ? C39 C38 C42 100.4(5) . . ? C37 C38 H38A 117.0 . . ? C39 C38 H38A 117.0 . . ? C42 C38 H38A 117.0 . . ? C40 C39 C38 106.2(6) . . ? C40 C39 Rh1 71.4(4) . . ? C38 C39 Rh1 96.7(4) . . ? C40 C39 H39A 123.1 . . ? C38 C39 H39A 123.1 . . ? Rh1 C39 H39A 123.1 . . ? C39 C40 C41 107.0(6) . . ? C39 C40 Rh1 72.4(4) . . ? C41 C40 Rh1 96.8(4) . . ? C39 C40 H40A 122.7 . . ? C41 C40 H40A 122.7 . . ? Rh1 C40 H40A 122.7 . . ? C36 C41 C40 101.1(5) . . ? C36 C41 C42 101.4(5) . . ? C40 C41 C42 100.3(6) . . ? C36 C41 H41A 117.1 . . ? C40 C41 H41A 117.1 . . ? C42 C41 H41A 117.1 . . ? C41 C42 C38 92.5(5) . . ? C41 C42 H42A 113.2 . . ? C38 C42 H42A 113.2 . . ? C41 C42 H42B 113.2 . . ? C38 C42 H42B 113.2 . . ? H42A C42 H42B 110.6 . . ? F1 B1 F2 111.2(8) . . ? F1 B1 F4 108.6(9) . . ? F2 B1 F4 109.8(9) . . ? F1 B1 F3 110.8(8) . . ? F2 B1 F3 109.9(8) . . ? F4 B1 F3 106.4(8) . . ? 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 C40 Rh1 P1 C18 86.3(5) . . . . ? C36 Rh1 P1 C18 37.4(3) . . . . ? C39 Rh1 P1 C18 -21.0(9) . . . . ? C37 Rh1 P1 C18 1.2(3) . . . . ? P2 Rh1 P1 C18 -154.7(3) . . . . ? C40 Rh1 P1 C12 -33.1(4) . . . . ? C36 Rh1 P1 C12 -82.0(3) . . . . ? C39 Rh1 P1 C12 -140.5(9) . . . . ? C37 Rh1 P1 C12 -118.3(3) . . . . ? P2 Rh1 P1 C12 85.9(2) . . . . ? C40 Rh1 P1 C1 -154.8(4) . . . . ? C36 Rh1 P1 C1 156.3(3) . . . . ? C39 Rh1 P1 C1 97.9(9) . . . . ? C37 Rh1 P1 C1 120.1(3) . . . . ? P2 Rh1 P1 C1 -35.8(2) . . . . ? C40 Rh1 P2 C30 24.4(3) . . . . ? C36 Rh1 P2 C30 -10.4(9) . . . . ? C39 Rh1 P2 C30 61.0(3) . . . . ? C37 Rh1 P2 C30 111.2(5) . . . . ? P1 Rh1 P2 C30 -129.0(3) . . . . ? C40 Rh1 P2 C24 -96.3(3) . . . . ? C36 Rh1 P2 C24 -131.0(9) . . . . ? C39 Rh1 P2 C24 -59.7(3) . . . . ? C37 Rh1 P2 C24 -9.4(5) . . . . ? P1 Rh1 P2 C24 110.4(2) . . . . ? C40 Rh1 P2 C7 141.2(3) . . . . ? C36 Rh1 P2 C7 106.5(9) . . . . ? C39 Rh1 P2 C7 177.8(3) . . . . ? C37 Rh1 P2 C7 -132.0(4) . . . . ? P1 Rh1 P2 C7 -12.1(2) . . . . ? C18 P1 C1 C2 5.3(7) . . . . ? C12 P1 C1 C2 117.3(6) . . . . ? Rh1 P1 C1 C2 -119.1(5) . . . . ? C18 P1 C1 C6 173.9(5) . . . . ? C12 P1 C1 C6 -74.1(6) . . . . ? Rh1 P1 C1 C6 49.5(6) . . . . ? C18 P1 C1 Cr1 -91.1(6) . . . . ? C12 P1 C1 Cr1 20.9(6) . . . . ? Rh1 P1 C1 Cr1 144.6(5) . . . . ? C11 Cr1 C1 C2 -157.1(4) . . . . ? C10 Cr1 C1 C2 -64.5(5) . . . . ? C9 Cr1 C1 C2 77.8(11) . . . . ? C5 Cr1 C1 C2 101.8(4) . . . . ? C3 Cr1 C1 C2 28.7(4) . . . . ? C4 Cr1 C1 C2 65.1(4) . . . . ? C6 Cr1 C1 C2 131.6(6) . . . . ? C11 Cr1 C1 C6 71.2(4) . . . . ? C10 Cr1 C1 C6 163.9(4) . . . . ? C9 Cr1 C1 C6 -53.8(10) . . . . ? C2 Cr1 C1 C6 -131.6(6) . . . . ? C5 Cr1 C1 C6 -29.8(3) . . . . ? C3 Cr1 C1 C6 -102.9(4) . . . . ? C4 Cr1 C1 C6 -66.5(4) . . . . ? C11 Cr1 C1 P1 -41.5(6) . . . . ? C10 Cr1 C1 P1 51.2(6) . . . . ? C9 Cr1 C1 P1 -166.5(8) . . . . ? C2 Cr1 C1 P1 115.6(8) . . . . ? C5 Cr1 C1 P1 -142.5(6) . . . . ? C3 Cr1 C1 P1 144.4(6) . . . . ? C4 Cr1 C1 P1 -179.2(6) . . . . ? C6 Cr1 C1 P1 -112.7(6) . . . . ? C6 C1 C2 C3 -1.4(10) . . . . ? P1 C1 C2 C3 167.1(5) . . . . ? Cr1 C1 C2 C3 -55.4(6) . . . . ? C6 C1 C2 Cr1 53.9(5) . . . . ? P1 C1 C2 Cr1 -137.5(5) . . . . ? C11 Cr1 C2 C1 31.8(6) . . . . ? C10 Cr1 C2 C1 118.9(4) . . . . ? C9 Cr1 C2 C1 -156.2(5) . . . . ? C5 Cr1 C2 C1 -66.8(4) . . . . ? C3 Cr1 C2 C1 -133.0(7) . . . . ? C4 Cr1 C2 C1 -103.6(5) . . . . ? C6 Cr1 C2 C1 -29.8(4) . . . . ? C11 Cr1 C2 C3 164.9(5) . . . . ? C10 Cr1 C2 C3 -108.0(5) . . . . ? C9 Cr1 C2 C3 -23.2(7) . . . . ? C5 Cr1 C2 C3 66.2(5) . . . . ? C4 Cr1 C2 C3 29.4(4) . . . . ? C1 Cr1 C2 C3 133.0(7) . . . . ? C6 Cr1 C2 C3 103.3(5) . . . . ? C1 C2 C3 C4 1.1(10) . . . . ? Cr1 C2 C3 C4 -54.9(6) . . . . ? C1 C2 C3 Cr1 55.9(6) . . . . ? C11 Cr1 C3 C4 77.6(13) . . . . ? C10 Cr1 C3 C4 -155.1(4) . . . . ? C9 Cr1 C3 C4 -64.7(4) . . . . ? C2 Cr1 C3 C4 131.1(6) . . . . ? C5 Cr1 C3 C4 29.0(4) . . . . ? C1 Cr1 C3 C4 102.8(4) . . . . ? C6 Cr1 C3 C4 65.5(4) . . . . ? C11 Cr1 C3 C2 -53.6(14) . . . . ? C10 Cr1 C3 C2 73.8(5) . . . . ? C9 Cr1 C3 C2 164.2(5) . . . . ? C5 Cr1 C3 C2 -102.1(5) . . . . ? C4 Cr1 C3 C2 -131.1(6) . . . . ? C1 Cr1 C3 C2 -28.3(4) . . . . ? C6 Cr1 C3 C2 -65.6(4) . . . . ? C2 C3 C4 C5 0.4(10) . . . . ? Cr1 C3 C4 C5 -54.0(5) . . . . ? C2 C3 C4 Cr1 54.3(5) . . . . ? C11 Cr1 C4 C3 -159.7(4) . . . . ? C10 Cr1 C4 C3 33.4(5) . . . . ? C9 Cr1 C4 C3 117.4(4) . . . . ? C2 Cr1 C4 C3 -29.9(4) . . . . ? C5 Cr1 C4 C3 -132.3(5) . . . . ? C1 Cr1 C4 C3 -66.1(4) . . . . ? C6 Cr1 C4 C3 -103.6(4) . . . . ? C11 Cr1 C4 C5 -27.4(6) . . . . ? C10 Cr1 C4 C5 165.7(4) . . . . ? C9 Cr1 C4 C5 -110.3(4) . . . . ? C2 Cr1 C4 C5 102.4(4) . . . . ? C3 Cr1 C4 C5 132.3(5) . . . . ? C1 Cr1 C4 C5 66.2(4) . . . . ? C6 Cr1 C4 C5 28.7(4) . . . . ? C3 C4 C5 C6 -1.4(10) . . . . ? Cr1 C4 C5 C6 -55.6(6) . . . . ? C3 C4 C5 Cr1 54.3(6) . . . . ? C11 Cr1 C5 C4 161.7(4) . . . . ? C10 Cr1 C5 C4 -44.1(12) . . . . ? C9 Cr1 C5 C4 70.8(4) . . . . ? C2 Cr1 C5 C4 -66.0(4) . . . . ? C3 Cr1 C5 C4 -28.8(3) . . . . ? C1 Cr1 C5 C4 -102.6(4) . . . . ? C6 Cr1 C5 C4 -132.9(5) . . . . ? C11 Cr1 C5 C6 -65.4(4) . . . . ? C10 Cr1 C5 C6 88.8(11) . . . . ? C9 Cr1 C5 C6 -156.3(4) . . . . ? C2 Cr1 C5 C6 66.9(4) . . . . ? C3 Cr1 C5 C6 104.1(4) . . . . ? C4 Cr1 C5 C6 132.9(5) . . . . ? C1 Cr1 C5 C6 30.3(3) . . . . ? C4 C5 C6 C1 1.0(10) . . . . ? Cr1 C5 C6 C1 -54.2(6) . . . . ? C4 C5 C6 C7 -176.9(6) . . . . ? Cr1 C5 C6 C7 127.9(6) . . . . ? C4 C5 C6 Cr1 55.2(6) . . . . ? C2 C1 C6 C5 0.4(10) . . . . ? P1 C1 C6 C5 -168.5(5) . . . . ? Cr1 C1 C6 C5 53.7(5) . . . . ? C2 C1 C6 C7 178.3(6) . . . . ? P1 C1 C6 C7 9.4(9) . . . . ? Cr1 C1 C6 C7 -128.4(6) . . . . ? C2 C1 C6 Cr1 -53.3(5) . . . . ? P1 C1 C6 Cr1 137.8(5) . . . . ? C11 Cr1 C6 C5 118.1(4) . . . . ? C10 Cr1 C6 C5 -155.3(5) . . . . ? C9 Cr1 C6 C5 31.9(5) . . . . ? C2 Cr1 C6 C5 -101.6(4) . . . . ? C3 Cr1 C6 C5 -64.8(4) . . . . ? C4 Cr1 C6 C5 -28.6(3) . . . . ? C1 Cr1 C6 C5 -130.6(5) . . . . ? C11 Cr1 C6 C1 -111.3(4) . . . . ? C10 Cr1 C6 C1 -24.7(6) . . . . ? C9 Cr1 C6 C1 162.5(4) . . . . ? C2 Cr1 C6 C1 29.0(3) . . . . ? C5 Cr1 C6 C1 130.6(5) . . . . ? C3 Cr1 C6 C1 65.9(4) . . . . ? C4 Cr1 C6 C1 102.0(4) . . . . ? C11 Cr1 C6 C7 4.1(7) . . . . ? C10 Cr1 C6 C7 90.8(7) . . . . ? C9 Cr1 C6 C7 -82.0(7) . . . . ? C2 Cr1 C6 C7 144.5(7) . . . . ? C5 Cr1 C6 C7 -113.9(8) . . . . ? C3 Cr1 C6 C7 -178.7(7) . . . . ? C4 Cr1 C6 C7 -142.5(7) . . . . ? C1 Cr1 C6 C7 115.5(8) . . . . ? C5 C6 C7 C8 -24.0(9) . . . . ? C1 C6 C7 C8 158.2(6) . . . . ? Cr1 C6 C7 C8 66.1(9) . . . . ? C5 C6 C7 P2 107.7(6) . . . . ? C1 C6 C7 P2 -70.2(8) . . . . ? Cr1 C6 C7 P2 -162.2(4) . . . . ? C30 P2 C7 C6 -167.5(5) . . . . ? C24 P2 C7 C6 -55.5(6) . . . . ? Rh1 P2 C7 C6 66.1(5) . . . . ? C30 P2 C7 C8 -36.7(6) . . . . ? C24 P2 C7 C8 75.3(5) . . . . ? Rh1 P2 C7 C8 -163.0(4) . . . . ? C11 Cr1 C9 O1 -128(68) . . . . ? C10 Cr1 C9 O1 142(100) . . . . ? C2 Cr1 C9 O1 57(69) . . . . ? C5 Cr1 C9 O1 -24(68) . . . . ? C3 Cr1 C9 O1 43(68) . . . . ? C4 Cr1 C9 O1 10(68) . . . . ? C1 Cr1 C9 O1 -2(69) . . . . ? C6 Cr1 C9 O1 -43(69) . . . . ? C11 Cr1 C10 O2 -119(18) . . . . ? C9 Cr1 C10 O2 -30(18) . . . . ? C2 Cr1 C10 O2 108(18) . . . . ? C5 Cr1 C10 O2 86(18) . . . . ? C3 Cr1 C10 O2 72(18) . . . . ? C4 Cr1 C10 O2 53(18) . . . . ? C1 Cr1 C10 O2 140(18) . . . . ? C6 Cr1 C10 O2 156(18) . . . . ? C10 Cr1 C11 O3 174(100) . . . . ? C9 Cr1 C11 O3 86(56) . . . . ? C2 Cr1 C11 O3 -100(55) . . . . ? C5 Cr1 C11 O3 -12(56) . . . . ? C3 Cr1 C11 O3 -58(56) . . . . ? C4 Cr1 C11 O3 4(56) . . . . ? C1 Cr1 C11 O3 -81(56) . . . . ? C6 Cr1 C11 O3 -46(56) . . . . ? C18 P1 C12 C17 60.1(7) . . . . ? C1 P1 C12 C17 -50.3(7) . . . . ? Rh1 P1 C12 C17 -176.0(5) . . . . ? C18 P1 C12 C13 -118.7(5) . . . . ? C1 P1 C12 C13 130.9(5) . . . . ? Rh1 P1 C12 C13 5.2(6) . . . . ? C17 C12 C13 C14 1.7(10) . . . . ? P1 C12 C13 C14 -179.4(6) . . . . ? C12 C13 C14 C15 -0.8(11) . . . . ? C13 C14 C15 C16 -0.3(12) . . . . ? C14 C15 C16 C17 0.4(11) . . . . ? C15 C16 C17 C12 0.6(12) . . . . ? C13 C12 C17 C16 -1.6(11) . . . . ? P1 C12 C17 C16 179.6(5) . . . . ? C12 P1 C18 C19 1.4(7) . . . . ? C1 P1 C18 C19 114.4(6) . . . . ? Rh1 P1 C18 C19 -120.8(6) . . . . ? C12 P1 C18 C23 173.0(5) . . . . ? C1 P1 C18 C23 -74.0(6) . . . . ? Rh1 P1 C18 C23 50.8(6) . . . . ? C23 C18 C19 C20 0.7(10) . . . . ? P1 C18 C19 C20 172.5(6) . . . . ? C18 C19 C20 C21 -0.8(12) . . . . ? C19 C20 C21 C22 0.8(12) . . . . ? C20 C21 C22 C23 -0.7(11) . . . . ? C21 C22 C23 C18 0.7(11) . . . . ? C19 C18 C23 C22 -0.7(10) . . . . ? P1 C18 C23 C22 -172.9(5) . . . . ? C30 P2 C24 C29 -171.6(5) . . . . ? C7 P2 C24 C29 79.7(5) . . . . ? Rh1 P2 C24 C29 -44.2(5) . . . . ? C30 P2 C24 C25 57.5(6) . . . . ? C7 P2 C24 C25 -51.2(6) . . . . ? Rh1 P2 C24 C25 -175.1(4) . . . . ? C29 C24 C25 C26 54.6(8) . . . . ? P2 C24 C25 C26 -173.5(5) . . . . ? C24 C25 C26 C27 -57.0(8) . . . . ? C25 C26 C27 C28 57.4(9) . . . . ? C26 C27 C28 C29 -55.0(10) . . . . ? C27 C28 C29 C24 53.0(9) . . . . ? C25 C24 C29 C28 -53.1(8) . . . . ? P2 C24 C29 C28 173.2(5) . . . . ? C24 P2 C30 C31 177.0(5) . . . . ? C7 P2 C30 C31 -67.9(5) . . . . ? Rh1 P2 C30 C31 55.0(5) . . . . ? C24 P2 C30 C35 50.9(6) . . . . ? C7 P2 C30 C35 166.1(5) . . . . ? Rh1 P2 C30 C35 -71.0(6) . . . . ? C35 C30 C31 C32 -52.8(8) . . . . ? P2 C30 C31 C32 179.1(5) . . . . ? C30 C31 C32 C33 57.0(8) . . . . ? C31 C32 C33 C34 -57.6(8) . . . . ? C32 C33 C34 C35 57.0(8) . . . . ? C33 C34 C35 C30 -53.7(9) . . . . ? C31 C30 C35 C34 50.0(8) . . . . ? P2 C30 C35 C34 176.3(5) . . . . ? C40 Rh1 C36 C37 101.1(5) . . . . ? C39 Rh1 C36 C37 64.8(4) . . . . ? P1 Rh1 C36 C37 -103.3(4) . . . . ? P2 Rh1 C36 C37 138.6(7) . . . . ? C40 Rh1 C36 C41 -3.5(4) . . . . ? C39 Rh1 C36 C41 -39.8(4) . . . . ? C37 Rh1 C36 C41 -104.6(6) . . . . ? P1 Rh1 C36 C41 152.1(4) . . . . ? P2 Rh1 C36 C41 34.0(12) . . . . ? C41 C36 C37 C38 0.2(7) . . . . ? Rh1 C36 C37 C38 -91.5(5) . . . . ? C41 C36 C37 Rh1 91.7(5) . . . . ? C40 Rh1 C37 C36 -66.6(5) . . . . ? C39 Rh1 C37 C36 -103.0(5) . . . . ? P1 Rh1 C37 C36 82.7(4) . . . . ? P2 Rh1 C37 C36 -160.1(4) . . . . ? C40 Rh1 C37 C38 39.2(4) . . . . ? C36 Rh1 C37 C38 105.8(6) . . . . ? C39 Rh1 C37 C38 2.8(4) . . . . ? P1 Rh1 C37 C38 -171.6(4) . . . . ? P2 Rh1 C37 C38 -54.3(6) . . . . ? C36 C37 C38 C39 68.9(7) . . . . ? Rh1 C37 C38 C39 -3.7(5) . . . . ? C36 C37 C38 C42 -34.3(7) . . . . ? Rh1 C37 C38 C42 -106.8(5) . . . . ? C37 C38 C39 C40 -68.8(7) . . . . ? C42 C38 C39 C40 34.8(7) . . . . ? C37 C38 C39 Rh1 3.7(5) . . . . ? C42 C38 C39 Rh1 107.3(5) . . . . ? C36 Rh1 C39 C40 65.8(5) . . . . ? C37 Rh1 C39 C40 102.1(5) . . . . ? P1 Rh1 C39 C40 126.2(8) . . . . ? P2 Rh1 C39 C40 -100.9(4) . . . . ? C40 Rh1 C39 C38 -104.9(6) . . . . ? C36 Rh1 C39 C38 -39.1(4) . . . . ? C37 Rh1 C39 C38 -2.7(4) . . . . ? P1 Rh1 C39 C38 21.3(12) . . . . ? P2 Rh1 C39 C38 154.2(4) . . . . ? C38 C39 C40 C41 -0.2(7) . . . . ? Rh1 C39 C40 C41 -91.9(5) . . . . ? C38 C39 C40 Rh1 91.7(5) . . . . ? C36 Rh1 C40 C39 -102.2(5) . . . . ? C37 Rh1 C40 C39 -65.5(5) . . . . ? P1 Rh1 C40 C39 -157.6(4) . . . . ? P2 Rh1 C40 C39 86.4(4) . . . . ? C36 Rh1 C40 C41 3.5(4) . . . . ? C39 Rh1 C40 C41 105.7(6) . . . . ? C37 Rh1 C40 C41 40.2(4) . . . . ? P1 Rh1 C40 C41 -51.9(6) . . . . ? P2 Rh1 C40 C41 -168.0(4) . . . . ? C37 C36 C41 C40 -68.6(6) . . . . ? Rh1 C36 C41 C40 4.6(5) . . . . ? C37 C36 C41 C42 34.3(7) . . . . ? Rh1 C36 C41 C42 107.6(5) . . . . ? C39 C40 C41 C36 69.0(7) . . . . ? Rh1 C40 C41 C36 -4.6(5) . . . . ? C39 C40 C41 C42 -34.9(7) . . . . ? Rh1 C40 C41 C42 -108.6(5) . . . . ? C36 C41 C42 C38 -51.4(6) . . . . ? C40 C41 C42 C38 52.2(6) . . . . ? C37 C38 C42 C41 51.5(6) . . . . ? C39 C38 C42 C41 -52.6(6) . . . . ? _diffrn_measured_fraction_theta_max 0.951 _diffrn_reflns_theta_full 21.00 _diffrn_measured_fraction_theta_full 0.951 _refine_diff_density_max 0.411 _refine_diff_density_min -0.365 _refine_diff_density_rms 0.078 data_comp8 _database_code_CSD 195665 _audit_creation_method SHELXL-97 _chemical_name_systematic ; (pR,R)-[1-(a-(diphenylphosphanyl)-ethyl)-2-(dicyclohexylphosphanyl) -h6-benzene)Cr(CO)3 ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C42 H48 B Cr F4 O3 P2 Rh' _chemical_formula_weight 904.46 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' B B 0.0013 0.0007 '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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x+1/2, y+1/2, -z' 'x+1/2, -y+1/2, -z' _cell_length_a 19.748(4) _cell_length_b 21.086(4) _cell_length_c 9.4990(19) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3955.4(14) _cell_formula_units_Z 4 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 5000 _cell_measurement_theta_min 4 _cell_measurement_theta_max 20 _exptl_crystal_description prism _exptl_crystal_colour red _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.3 _exptl_crystal_size_min 0.3 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.519 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1856 _exptl_absorpt_coefficient_mu 0.831 _exptl_absorpt_correction_type 'mean imaging plate intensity method' _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(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 STOE-IPDS _diffrn_measurement_method 'laser scanned imaging plate' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 50-200 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 360 _diffrn_standards_decay_% ? _diffrn_reflns_number 16923 _diffrn_reflns_av_R_equivalents 0.0632 _diffrn_reflns_av_sigmaI/netI 0.0748 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_theta_min 1.93 _diffrn_reflns_theta_max 22.00 _reflns_number_total 4839 _reflns_number_gt 4093 _reflns_threshold_expression >2sigma(I) _computing_data_collection STOE-EXPOSE _computing_cell_refinement STOE-CELL _computing_data_reduction STOE-INTEGRATE _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP (Siemens)' _computing_publication_material SHELXL-97 _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^)+(0.0260P)^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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.01(3) _refine_ls_number_reflns 4839 _refine_ls_number_parameters 487 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0445 _refine_ls_R_factor_gt 0.0345 _refine_ls_wR_factor_ref 0.0660 _refine_ls_wR_factor_gt 0.0642 _refine_ls_goodness_of_fit_ref 0.911 _refine_ls_restrained_S_all 0.911 _refine_ls_shift/su_max 0.002 _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 0.16019(2) 0.39469(2) 0.07501(5) 0.01622(12) Uani 1 1 d . . . Cr1 Cr 0.20739(5) 0.20878(5) -0.34282(11) 0.0249(3) Uani 1 1 d . . . P1 P 0.11271(6) 0.31475(6) -0.06723(19) 0.0163(3) Uani 1 1 d . . . P2 P 0.26513(7) 0.37861(7) -0.01467(16) 0.0179(4) Uani 1 1 d . . . O1 O 0.2517(3) 0.1235(2) -0.1105(5) 0.0520(15) Uani 1 1 d . . . O2 O 0.2946(2) 0.1303(2) -0.5315(6) 0.0619(17) Uani 1 1 d . . . O3 O 0.0952(2) 0.1170(2) -0.4041(6) 0.0535(14) Uani 1 1 d . . . C1 C 0.1657(3) 0.2926(2) -0.2225(6) 0.0199(14) Uani 1 1 d . . . C2 C 0.1348(3) 0.2873(3) -0.3556(6) 0.0228(15) Uani 1 1 d . . . H2A H 0.0865 0.2770 -0.3592 0.027 Uiso 1 1 calc R . . C3 C 0.1719(3) 0.2849(3) -0.4814(6) 0.0271(16) Uani 1 1 d . . . H3A H 0.1493 0.2749 -0.5705 0.033 Uiso 1 1 calc R . . C4 C 0.2423(3) 0.2886(3) -0.4747(7) 0.0326(17) Uani 1 1 d . . . H4A H 0.2690 0.2798 -0.5594 0.039 Uiso 1 1 calc R . . C5 C 0.2749(3) 0.2930(3) -0.3450(7) 0.0239(16) Uani 1 1 d . . . H5A H 0.3239 0.2860 -0.3419 0.029 Uiso 1 1 calc R . . C6 C 0.2390(3) 0.2925(3) -0.2174(6) 0.0170(14) Uani 1 1 d . . . C7 C 0.2780(2) 0.2959(3) -0.0812(7) 0.0226(14) Uani 1 1 d . . . H7A H 0.2556 0.2673 -0.0146 0.027 Uiso 1 1 calc R . . C8 C 0.3517(3) 0.2744(3) -0.0929(7) 0.0329(16) Uani 1 1 d . . . H8A H 0.3531 0.2314 -0.1263 0.049 Uiso 1 1 calc R . . H8B H 0.3728 0.2768 -0.0021 0.049 Uiso 1 1 calc R . . H8C H 0.3753 0.3014 -0.1578 0.049 Uiso 1 1 calc R . . C9 C 0.2345(3) 0.1575(3) -0.1982(8) 0.0361(18) Uani 1 1 d . . . C10 C 0.2605(3) 0.1606(3) -0.4578(8) 0.044(2) Uani 1 1 d . . . C11 C 0.1383(3) 0.1537(3) -0.3806(7) 0.0344(19) Uani 1 1 d . . . C12 C 0.0315(3) 0.3361(3) -0.1516(6) 0.0154(14) Uani 1 1 d . . . H12A H 0.0205 0.3022 -0.2184 0.019 Uiso 1 1 calc R . . C13 C -0.0279(2) 0.3404(3) -0.0459(6) 0.0244(16) Uani 1 1 d . . . H13A H -0.0326 0.3003 0.0034 0.029 Uiso 1 1 calc R . . H13B H -0.0185 0.3731 0.0231 0.029 Uiso 1 1 calc R . . C14 C -0.0934(3) 0.3557(3) -0.1227(7) 0.0291(18) Uani 1 1 d . . . H14A H -0.1045 0.3211 -0.1860 0.035 Uiso 1 1 calc R . . H14B H -0.1298 0.3594 -0.0547 0.035 Uiso 1 1 calc R . . C15 C -0.0885(3) 0.4162(3) -0.2057(7) 0.0358(19) Uani 1 1 d . . . H15A H -0.0812 0.4515 -0.1420 0.043 Uiso 1 1 calc R . . H15B H -0.1307 0.4235 -0.2554 0.043 Uiso 1 1 calc R . . C16 C -0.0305(3) 0.4127(3) -0.3109(7) 0.0325(18) Uani 1 1 d . . . H16A H -0.0266 0.4528 -0.3600 0.039 Uiso 1 1 calc R . . H16B H -0.0400 0.3800 -0.3799 0.039 Uiso 1 1 calc R . . C17 C 0.0363(2) 0.3977(3) -0.2359(6) 0.0222(14) Uani 1 1 d . . . H17A H 0.0722 0.3941 -0.3051 0.027 Uiso 1 1 calc R . . H17B H 0.0477 0.4324 -0.1729 0.027 Uiso 1 1 calc R . . C18 C 0.0915(3) 0.2430(3) 0.0362(6) 0.0180(15) Uani 1 1 d . . . H18A H 0.0576 0.2570 0.1048 0.022 Uiso 1 1 calc R . . C19 C 0.1500(3) 0.2172(3) 0.1245(6) 0.0317(16) Uani 1 1 d . . . H19A H 0.1690 0.2511 0.1810 0.038 Uiso 1 1 calc R . . H19B H 0.1853 0.2014 0.0627 0.038 Uiso 1 1 calc R . . C20 C 0.1255(4) 0.1633(3) 0.2215(7) 0.040(2) Uani 1 1 d . . . H20A H 0.1636 0.1460 0.2732 0.048 Uiso 1 1 calc R . . H20B H 0.0932 0.1799 0.2890 0.048 Uiso 1 1 calc R . . C21 C 0.0926(3) 0.1114(4) 0.1355(7) 0.0462(19) Uani 1 1 d . . . H21A H 0.1262 0.0925 0.0738 0.055 Uiso 1 1 calc R . . H21B H 0.0759 0.0786 0.1981 0.055 Uiso 1 1 calc R . . C22 C 0.0349(3) 0.1367(3) 0.0484(8) 0.0396(19) Uani 1 1 d . . . H22A H -0.0005 0.1519 0.1107 0.048 Uiso 1 1 calc R . . H22B H 0.0162 0.1025 -0.0079 0.048 Uiso 1 1 calc R . . C23 C 0.0567(3) 0.1901(3) -0.0477(6) 0.0264(16) Uani 1 1 d . . . H23A H 0.0174 0.2072 -0.0958 0.032 Uiso 1 1 calc R . . H23B H 0.0876 0.1738 -0.1182 0.032 Uiso 1 1 calc R . . C24 C 0.2855(3) 0.4270(3) -0.1661(7) 0.0204(15) Uani 1 1 d . . . C25 C 0.3506(3) 0.4312(3) -0.2235(7) 0.0277(16) Uani 1 1 d . . . H25A H 0.3867 0.4122 -0.1768 0.033 Uiso 1 1 calc R . . C26 C 0.3620(3) 0.4623(3) -0.3450(8) 0.0402(19) Uani 1 1 d . . . H26A H 0.4057 0.4648 -0.3810 0.048 Uiso 1 1 calc R . . C27 C 0.3093(4) 0.4907(3) -0.4165(8) 0.0431(18) Uani 1 1 d . . . H27A H 0.3173 0.5113 -0.5014 0.052 Uiso 1 1 calc R . . C28 C 0.2446(4) 0.4883(3) -0.3617(7) 0.0412(19) Uani 1 1 d . . . H28A H 0.2090 0.5080 -0.4087 0.049 Uiso 1 1 calc R . . C29 C 0.2329(3) 0.4568(3) -0.2382(7) 0.0280(17) Uani 1 1 d . . . H29A H 0.1893 0.4553 -0.2017 0.034 Uiso 1 1 calc R . . C30 C 0.3326(3) 0.3953(3) 0.1105(5) 0.0218(13) Uani 1 1 d . . . C31 C 0.3621(3) 0.4546(3) 0.1153(6) 0.0308(18) Uani 1 1 d . . . H31A H 0.3497 0.4850 0.0491 0.037 Uiso 1 1 calc R . . C32 C 0.4099(3) 0.4698(4) 0.2170(8) 0.051(2) Uani 1 1 d . . . H32A H 0.4278 0.5105 0.2223 0.061 Uiso 1 1 calc R . . C33 C 0.4300(3) 0.4236(5) 0.3093(8) 0.049(2) Uani 1 1 d . . . H33A H 0.4648 0.4325 0.3724 0.059 Uiso 1 1 calc R . . C34 C 0.4010(3) 0.3655(4) 0.3114(7) 0.045(2) Uani 1 1 d . . . H34A H 0.4136 0.3355 0.3781 0.054 Uiso 1 1 calc R . . C35 C 0.3505(3) 0.3514(3) 0.2086(6) 0.0341(17) Uani 1 1 d . . . H35A H 0.3296 0.3119 0.2087 0.041 Uiso 1 1 calc R . . C36 C 0.0768(3) 0.4097(3) 0.2337(6) 0.0219(16) Uani 1 1 d . . . H36A H 0.0408 0.3788 0.2526 0.026 Uiso 1 1 calc R . . C37 C 0.0725(3) 0.4563(3) 0.1343(6) 0.0219(15) Uani 1 1 d . . . H37A H 0.0327 0.4616 0.0737 0.026 Uiso 1 1 calc R . . C38 C 0.1157(3) 0.5123(3) 0.1837(7) 0.0253(16) Uani 1 1 d . . . H38A H 0.1074 0.5535 0.1394 0.030 Uiso 1 1 calc R . . C39 C 0.1875(3) 0.4846(3) 0.1719(7) 0.0246(16) Uani 1 1 d . . . H39A H 0.2266 0.5097 0.1415 0.030 Uiso 1 1 calc R . . C40 C 0.1919(3) 0.4385(3) 0.2719(7) 0.0260(17) Uani 1 1 d . . . H40A H 0.2346 0.4276 0.3185 0.031 Uiso 1 1 calc R . . C41 C 0.1245(3) 0.4368(3) 0.3478(7) 0.0292(17) Uani 1 1 d . . . H41A H 0.1235 0.4161 0.4402 0.035 Uiso 1 1 calc R . . C42 C 0.1048(3) 0.5075(3) 0.3428(7) 0.0326(17) Uani 1 1 d . . . H42A H 0.0583 0.5152 0.3707 0.039 Uiso 1 1 calc R . . H42B H 0.1353 0.5343 0.3962 0.039 Uiso 1 1 calc R . . B1 B 0.4635(4) 0.2340(5) -0.4068(11) 0.051(3) Uani 1 1 d . . . F1 F 0.4513(2) 0.2943(3) -0.3622(5) 0.0745(15) Uani 1 1 d . . . F2 F 0.5260(2) 0.2161(3) -0.4050(10) 0.161(3) Uani 1 1 d . . . F3 F 0.4275(3) 0.1889(3) -0.3391(8) 0.142(3) Uani 1 1 d . . . F4 F 0.4425(6) 0.2312(3) -0.5382(9) 0.236(6) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Rh1 0.0115(2) 0.0165(2) 0.0206(2) -0.0030(3) -0.0001(2) 0.0002(2) Cr1 0.0223(5) 0.0235(6) 0.0288(6) -0.0086(5) 0.0036(5) 0.0011(5) P1 0.0127(7) 0.0156(8) 0.0204(9) -0.0012(9) -0.0015(8) -0.0001(6) P2 0.0129(8) 0.0188(10) 0.0221(9) 0.0004(7) -0.0013(7) 0.0002(6) O1 0.076(3) 0.030(3) 0.050(4) -0.004(3) -0.011(3) 0.015(3) O2 0.049(3) 0.057(3) 0.080(5) -0.035(3) 0.017(3) 0.000(3) O3 0.048(3) 0.048(3) 0.064(4) -0.018(3) 0.013(3) -0.016(3) C1 0.022(3) 0.010(3) 0.027(4) -0.011(3) -0.001(3) -0.003(3) C2 0.022(3) 0.020(4) 0.027(4) -0.007(3) 0.007(3) 0.003(3) C3 0.024(4) 0.032(4) 0.025(4) -0.001(3) 0.002(3) -0.005(3) C4 0.040(4) 0.027(4) 0.030(5) -0.002(3) 0.008(4) 0.003(3) C5 0.018(4) 0.025(4) 0.028(4) -0.005(4) 0.004(3) -0.001(3) C6 0.022(3) 0.013(3) 0.016(4) -0.004(3) 0.003(3) 0.003(3) C7 0.021(3) 0.023(3) 0.024(3) -0.005(4) 0.006(3) 0.005(2) C8 0.022(3) 0.034(4) 0.042(4) -0.006(4) -0.003(3) 0.009(3) C9 0.044(5) 0.028(4) 0.036(5) -0.013(4) -0.003(4) 0.005(3) C10 0.025(4) 0.039(4) 0.067(6) -0.035(4) 0.010(4) -0.005(3) C11 0.034(4) 0.029(4) 0.040(5) -0.007(3) 0.005(3) 0.004(3) C12 0.013(3) 0.015(3) 0.018(3) -0.007(3) -0.004(3) -0.001(2) C13 0.022(3) 0.029(4) 0.022(4) -0.011(3) 0.002(3) 0.003(3) C14 0.015(3) 0.033(4) 0.039(5) 0.003(3) -0.002(3) -0.001(3) C15 0.027(4) 0.034(5) 0.047(5) -0.011(4) -0.014(3) 0.008(3) C16 0.040(4) 0.023(4) 0.035(4) -0.004(3) -0.024(3) 0.005(3) C17 0.024(3) 0.024(4) 0.018(3) 0.002(3) 0.000(3) -0.001(3) C18 0.020(3) 0.013(3) 0.020(4) 0.004(3) 0.002(3) 0.001(2) C19 0.033(4) 0.023(4) 0.039(4) 0.003(3) 0.001(3) -0.001(3) C20 0.049(4) 0.034(5) 0.036(5) 0.015(4) -0.005(4) -0.004(4) C21 0.053(4) 0.033(4) 0.053(5) 0.012(4) 0.003(4) -0.007(4) C22 0.042(4) 0.028(4) 0.049(5) 0.002(4) 0.002(4) -0.012(3) C23 0.024(3) 0.030(4) 0.026(4) 0.000(3) -0.004(3) -0.004(3) C24 0.024(3) 0.015(3) 0.022(4) -0.008(3) 0.000(3) -0.001(3) C25 0.017(4) 0.038(4) 0.028(4) -0.003(3) 0.010(3) -0.004(3) C26 0.045(5) 0.043(5) 0.032(5) 0.010(4) 0.018(4) -0.013(4) C27 0.075(5) 0.033(4) 0.021(4) 0.014(4) 0.007(5) -0.009(4) C28 0.049(5) 0.036(5) 0.038(5) 0.020(4) -0.004(4) 0.006(4) C29 0.035(4) 0.024(4) 0.026(4) 0.010(4) 0.004(3) 0.003(3) C30 0.014(3) 0.032(3) 0.019(3) 0.001(3) 0.002(3) 0.002(3) C31 0.027(4) 0.042(5) 0.024(5) -0.013(3) 0.000(3) -0.003(3) C32 0.025(4) 0.082(7) 0.046(5) -0.024(5) -0.002(4) -0.010(4) C33 0.008(4) 0.102(8) 0.038(5) -0.019(5) -0.014(3) 0.006(4) C34 0.032(4) 0.082(7) 0.021(4) 0.003(4) -0.007(4) 0.021(5) C35 0.025(4) 0.050(5) 0.027(4) 0.000(4) 0.007(4) 0.009(3) C36 0.016(3) 0.031(4) 0.019(4) -0.009(3) 0.002(3) 0.002(3) C37 0.011(3) 0.027(4) 0.027(4) -0.003(3) 0.003(3) 0.007(3) C38 0.019(4) 0.027(4) 0.030(4) -0.001(3) -0.005(3) 0.000(3) C39 0.017(3) 0.023(4) 0.034(4) -0.010(4) -0.001(3) -0.002(3) C40 0.025(4) 0.028(4) 0.025(4) -0.016(4) -0.002(3) 0.008(3) C41 0.026(4) 0.033(4) 0.028(4) 0.010(3) -0.003(3) 0.014(3) C42 0.025(4) 0.039(5) 0.035(4) -0.022(4) 0.001(3) 0.012(3) B1 0.043(5) 0.074(8) 0.036(7) -0.006(6) 0.027(5) 0.016(5) F1 0.056(3) 0.090(4) 0.078(4) -0.030(3) 0.021(2) 0.003(3) F2 0.052(3) 0.143(6) 0.288(10) 0.049(7) 0.062(5) 0.037(3) F3 0.101(5) 0.121(6) 0.205(8) -0.056(6) 0.091(5) -0.016(4) F4 0.498(16) 0.077(5) 0.132(7) -0.044(5) -0.189(9) 0.096(7) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh1 C39 2.175(6) . ? Rh1 C40 2.177(6) . ? Rh1 C37 2.237(5) . ? Rh1 C36 2.255(5) . ? Rh1 P2 2.2661(15) . ? Rh1 P1 2.3549(16) . ? Cr1 C10 1.823(7) . ? Cr1 C9 1.829(8) . ? Cr1 C11 1.827(7) . ? Cr1 C2 2.193(6) . ? Cr1 C3 2.192(6) . ? Cr1 C4 2.209(6) . ? Cr1 C5 2.220(6) . ? Cr1 C6 2.220(6) . ? Cr1 C1 2.261(5) . ? P1 C12 1.848(5) . ? P1 C18 1.853(5) . ? P1 C1 1.867(6) . ? P2 C24 1.809(6) . ? P2 C30 1.821(5) . ? P2 C7 1.872(6) . ? O1 C9 1.150(8) . ? O2 C10 1.163(7) . ? O3 C11 1.171(7) . ? C1 C2 1.408(8) . ? C1 C6 1.450(7) . ? C2 C3 1.403(8) . ? C2 H2A 0.9800 . ? C3 C4 1.394(8) . ? C3 H3A 0.9800 . ? C4 C5 1.394(8) . ? C4 H4A 0.9800 . ? C5 C6 1.403(8) . ? C5 H5A 0.9800 . ? C6 C7 1.508(8) . ? C7 C8 1.528(7) . ? C7 H7A 0.9800 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C12 C17 1.530(8) . ? C12 C13 1.547(7) . ? C12 H12A 0.9800 . ? C13 C14 1.521(8) . ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 C15 1.502(9) . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 C16 1.522(9) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 C17 1.533(7) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C18 C19 1.528(7) . ? C18 C23 1.533(8) . ? C18 H18A 0.9800 . ? C19 C20 1.542(8) . ? C19 H19A 0.9700 . ? C19 H19B 0.9700 . ? C20 C21 1.511(9) . ? C20 H20A 0.9700 . ? C20 H20B 0.9700 . ? C21 C22 1.506(8) . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C22 C23 1.512(8) . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 C29 1.394(8) . ? C24 C25 1.399(8) . ? C25 C26 1.347(9) . ? C25 H25A 0.9300 . ? C26 C27 1.379(9) . ? C26 H26A 0.9300 . ? C27 C28 1.380(9) . ? C27 H27A 0.9300 . ? C28 C29 1.367(8) . ? C28 H28A 0.9300 . ? C29 H29A 0.9300 . ? C30 C35 1.360(8) . ? C30 C31 1.379(8) . ? C31 C32 1.388(9) . ? C31 H31A 0.9300 . ? C32 C33 1.369(11) . ? C32 H32A 0.9300 . ? C33 C34 1.352(10) . ? C33 H33A 0.9300 . ? C34 C35 1.428(9) . ? C34 H34A 0.9300 . ? C35 H35A 0.9300 . ? C36 C37 1.365(8) . ? C36 C41 1.545(8) . ? C36 H36A 0.9800 . ? C37 C38 1.531(8) . ? C37 H37A 0.9800 . ? C38 C42 1.530(9) . ? C38 C39 1.538(8) . ? C38 H38A 0.9800 . ? C39 C40 1.362(9) . ? C39 H39A 0.9800 . ? C40 C41 1.514(8) . ? C40 H40A 0.9800 . ? C41 C42 1.542(8) . ? C41 H41A 0.9800 . ? C42 H42A 0.9700 . ? C42 H42B 0.9700 . ? B1 F2 1.290(9) . ? B1 F4 1.316(11) . ? B1 F3 1.350(11) . ? B1 F1 1.363(10) . ? 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 C39 Rh1 C40 36.5(2) . . ? C39 Rh1 C37 65.1(2) . . ? C40 Rh1 C37 76.1(2) . . ? C39 Rh1 C36 77.0(2) . . ? C40 Rh1 C36 64.9(2) . . ? C37 Rh1 C36 35.4(2) . . ? C39 Rh1 P2 93.59(15) . . ? C40 Rh1 P2 97.10(16) . . ? C37 Rh1 P2 152.84(16) . . ? C36 Rh1 P2 160.08(15) . . ? C39 Rh1 P1 164.86(17) . . ? C40 Rh1 P1 155.59(18) . . ? C37 Rh1 P1 104.57(16) . . ? C36 Rh1 P1 101.15(15) . . ? P2 Rh1 P1 92.37(5) . . ? C10 Cr1 C9 87.3(3) . . ? C10 Cr1 C11 87.6(3) . . ? C9 Cr1 C11 89.4(3) . . ? C10 Cr1 C2 139.7(3) . . ? C9 Cr1 C2 132.8(3) . . ? C11 Cr1 C2 88.9(3) . . ? C10 Cr1 C3 103.4(3) . . ? C9 Cr1 C3 168.0(3) . . ? C11 Cr1 C3 96.2(3) . . ? C2 Cr1 C3 37.3(2) . . ? C10 Cr1 C4 84.5(3) . . ? C9 Cr1 C4 141.8(3) . . ? C11 Cr1 C4 127.3(3) . . ? C2 Cr1 C4 66.2(2) . . ? C3 Cr1 C4 36.9(2) . . ? C10 Cr1 C5 95.4(3) . . ? C9 Cr1 C5 107.7(3) . . ? C11 Cr1 C5 162.7(3) . . ? C2 Cr1 C5 77.8(2) . . ? C3 Cr1 C5 66.5(2) . . ? C4 Cr1 C5 36.7(2) . . ? C10 Cr1 C6 127.1(2) . . ? C9 Cr1 C6 89.1(3) . . ? C11 Cr1 C6 145.2(2) . . ? C2 Cr1 C6 67.2(2) . . ? C3 Cr1 C6 80.2(2) . . ? C4 Cr1 C6 67.1(2) . . ? C5 Cr1 C6 36.8(2) . . ? C10 Cr1 C1 161.5(3) . . ? C9 Cr1 C1 100.9(3) . . ? C11 Cr1 C1 108.9(2) . . ? C2 Cr1 C1 36.8(2) . . ? C3 Cr1 C1 67.3(2) . . ? C4 Cr1 C1 78.7(2) . . ? C5 Cr1 C1 66.3(2) . . ? C6 Cr1 C1 37.74(19) . . ? C12 P1 C18 103.4(2) . . ? C12 P1 C1 101.8(3) . . ? C18 P1 C1 110.0(2) . . ? C12 P1 Rh1 114.84(18) . . ? C18 P1 Rh1 111.75(19) . . ? C1 P1 Rh1 114.14(17) . . ? C24 P2 C30 104.3(3) . . ? C24 P2 C7 103.1(3) . . ? C30 P2 C7 107.5(3) . . ? C24 P2 Rh1 114.73(19) . . ? C30 P2 Rh1 113.26(17) . . ? C7 P2 Rh1 112.98(17) . . ? C2 C1 C6 117.5(5) . . ? C2 C1 P1 119.2(4) . . ? C6 C1 P1 122.3(4) . . ? C2 C1 Cr1 69.0(3) . . ? C6 C1 Cr1 69.6(3) . . ? P1 C1 Cr1 143.0(3) . . ? C3 C2 C1 122.9(5) . . ? C3 C2 Cr1 71.3(3) . . ? C1 C2 Cr1 74.2(3) . . ? C3 C2 H2A 118.1 . . ? C1 C2 H2A 118.1 . . ? Cr1 C2 H2A 118.1 . . ? C4 C3 C2 118.7(5) . . ? C4 C3 Cr1 72.2(4) . . ? C2 C3 Cr1 71.4(3) . . ? C4 C3 H3A 120.4 . . ? C2 C3 H3A 120.4 . . ? Cr1 C3 H3A 120.4 . . ? C5 C4 C3 120.3(6) . . ? C5 C4 Cr1 72.1(4) . . ? C3 C4 Cr1 70.9(4) . . ? C5 C4 H4A 119.3 . . ? C3 C4 H4A 119.3 . . ? Cr1 C4 H4A 119.3 . . ? C4 C5 C6 122.0(5) . . ? C4 C5 Cr1 71.2(4) . . ? C6 C5 Cr1 71.6(3) . . ? C4 C5 H5A 118.2 . . ? C6 C5 H5A 118.2 . . ? Cr1 C5 H5A 118.2 . . ? C5 C6 C1 118.4(5) . . ? C5 C6 C7 118.9(5) . . ? C1 C6 C7 122.6(5) . . ? C5 C6 Cr1 71.6(3) . . ? C1 C6 Cr1 72.7(3) . . ? C7 C6 Cr1 129.9(4) . . ? C6 C7 C8 114.1(5) . . ? C6 C7 P2 105.3(4) . . ? C8 C7 P2 115.5(4) . . ? C6 C7 H7A 107.1 . . ? C8 C7 H7A 107.1 . . ? P2 C7 H7A 107.1 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O1 C9 Cr1 177.5(6) . . ? O2 C10 Cr1 179.4(6) . . ? O3 C11 Cr1 178.1(6) . . ? C17 C12 C13 109.7(4) . . ? C17 C12 P1 112.3(4) . . ? C13 C12 P1 113.0(4) . . ? C17 C12 H12A 107.2 . . ? C13 C12 H12A 107.2 . . ? P1 C12 H12A 107.2 . . ? C14 C13 C12 110.3(5) . . ? C14 C13 H13A 109.6 . . ? C12 C13 H13A 109.6 . . ? C14 C13 H13B 109.6 . . ? C12 C13 H13B 109.6 . . ? H13A C13 H13B 108.1 . . ? C15 C14 C13 112.2(5) . . ? C15 C14 H14A 109.2 . . ? C13 C14 H14A 109.2 . . ? C15 C14 H14B 109.2 . . ? C13 C14 H14B 109.2 . . ? H14A C14 H14B 107.9 . . ? C14 C15 C16 110.6(5) . . ? C14 C15 H15A 109.5 . . ? C16 C15 H15A 109.5 . . ? C14 C15 H15B 109.5 . . ? C16 C15 H15B 109.5 . . ? H15A C15 H15B 108.1 . . ? C15 C16 C17 110.7(5) . . ? C15 C16 H16A 109.5 . . ? C17 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? C17 C16 H16B 109.5 . . ? H16A C16 H16B 108.1 . . ? C12 C17 C16 111.4(5) . . ? C12 C17 H17A 109.4 . . ? C16 C17 H17A 109.4 . . ? C12 C17 H17B 109.4 . . ? C16 C17 H17B 109.4 . . ? H17A C17 H17B 108.0 . . ? C19 C18 C23 111.5(5) . . ? C19 C18 P1 114.2(4) . . ? C23 C18 P1 114.8(4) . . ? C19 C18 H18A 105.1 . . ? C23 C18 H18A 105.1 . . ? P1 C18 H18A 105.1 . . ? C18 C19 C20 110.6(5) . . ? C18 C19 H19A 109.5 . . ? C20 C19 H19A 109.5 . . ? C18 C19 H19B 109.5 . . ? C20 C19 H19B 109.5 . . ? H19A C19 H19B 108.1 . . ? C21 C20 C19 110.2(5) . . ? C21 C20 H20A 109.6 . . ? C19 C20 H20A 109.6 . . ? C21 C20 H20B 109.6 . . ? C19 C20 H20B 109.6 . . ? H20A C20 H20B 108.1 . . ? C22 C21 C20 111.5(6) . . ? C22 C21 H21A 109.3 . . ? C20 C21 H21A 109.3 . . ? C22 C21 H21B 109.3 . . ? C20 C21 H21B 109.3 . . ? H21A C21 H21B 108.0 . . ? C21 C22 C23 112.3(5) . . ? C21 C22 H22A 109.1 . . ? C23 C22 H22A 109.1 . . ? C21 C22 H22B 109.1 . . ? C23 C22 H22B 109.1 . . ? H22A C22 H22B 107.9 . . ? C22 C23 C18 110.8(5) . . ? C22 C23 H23A 109.5 . . ? C18 C23 H23A 109.5 . . ? C22 C23 H23B 109.5 . . ? C18 C23 H23B 109.5 . . ? H23A C23 H23B 108.1 . . ? C29 C24 C25 117.7(6) . . ? C29 C24 P2 118.6(4) . . ? C25 C24 P2 123.4(5) . . ? C26 C25 C24 121.2(6) . . ? C26 C25 H25A 119.4 . . ? C24 C25 H25A 119.4 . . ? C25 C26 C27 120.5(6) . . ? C25 C26 H26A 119.8 . . ? C27 C26 H26A 119.8 . . ? C26 C27 C28 119.8(7) . . ? C26 C27 H27A 120.1 . . ? C28 C27 H27A 120.1 . . ? C29 C28 C27 119.8(7) . . ? C29 C28 H28A 120.1 . . ? C27 C28 H28A 120.1 . . ? C28 C29 C24 121.0(6) . . ? C28 C29 H29A 119.5 . . ? C24 C29 H29A 119.5 . . ? C35 C30 C31 119.0(5) . . ? C35 C30 P2 120.3(5) . . ? C31 C30 P2 120.4(5) . . ? C30 C31 C32 121.3(7) . . ? C30 C31 H31A 119.4 . . ? C32 C31 H31A 119.4 . . ? C33 C32 C31 118.6(8) . . ? C33 C32 H32A 120.7 . . ? C31 C32 H32A 120.7 . . ? C34 C33 C32 122.0(7) . . ? C34 C33 H33A 119.0 . . ? C32 C33 H33A 119.0 . . ? C33 C34 C35 118.4(7) . . ? C33 C34 H34A 120.8 . . ? C35 C34 H34A 120.8 . . ? C30 C35 C34 120.5(7) . . ? C30 C35 H35A 119.7 . . ? C34 C35 H35A 119.7 . . ? C37 C36 C41 104.9(5) . . ? C37 C36 Rh1 71.6(3) . . ? C41 C36 Rh1 94.4(3) . . ? C37 C36 H36A 124.0 . . ? C41 C36 H36A 124.0 . . ? Rh1 C36 H36A 124.0 . . ? C36 C37 C38 107.9(5) . . ? C36 C37 Rh1 73.0(3) . . ? C38 C37 Rh1 95.3(3) . . ? C36 C37 H37A 122.6 . . ? C38 C37 H37A 122.6 . . ? Rh1 C37 H37A 122.6 . . ? C42 C38 C37 100.0(5) . . ? C42 C38 C39 100.2(5) . . ? C37 C38 C39 101.5(5) . . ? C42 C38 H38A 117.4 . . ? C37 C38 H38A 117.4 . . ? C39 C38 H38A 117.4 . . ? C40 C39 C38 106.2(5) . . ? C40 C39 Rh1 71.9(4) . . ? C38 C39 Rh1 97.7(3) . . ? C40 C39 H39A 122.8 . . ? C38 C39 H39A 122.8 . . ? Rh1 C39 H39A 122.8 . . ? C39 C40 C41 107.0(5) . . ? C39 C40 Rh1 71.7(4) . . ? C41 C40 Rh1 98.4(4) . . ? C39 C40 H40A 122.4 . . ? C41 C40 H40A 122.4 . . ? Rh1 C40 H40A 122.4 . . ? C40 C41 C42 100.6(5) . . ? C40 C41 C36 102.1(5) . . ? C42 C41 C36 100.5(5) . . ? C40 C41 H41A 116.9 . . ? C42 C41 H41A 116.9 . . ? C36 C41 H41A 116.9 . . ? C38 C42 C41 93.4(5) . . ? C38 C42 H42A 113.0 . . ? C41 C42 H42A 113.0 . . ? C38 C42 H42B 113.0 . . ? C41 C42 H42B 113.0 . . ? H42A C42 H42B 110.4 . . ? F2 B1 F4 107.6(9) . . ? F2 B1 F3 107.0(8) . . ? F4 B1 F3 104.7(10) . . ? F2 B1 F1 116.0(9) . . ? F4 B1 F1 106.2(8) . . ? F3 B1 F1 114.6(7) . . ? 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 C39 Rh1 P1 C12 -22.6(7) . . . . ? C40 Rh1 P1 C12 111.3(4) . . . . ? C37 Rh1 P1 C12 22.8(3) . . . . ? C36 Rh1 P1 C12 59.0(3) . . . . ? P2 Rh1 P1 C12 -135.7(2) . . . . ? C39 Rh1 P1 C18 -140.0(7) . . . . ? C40 Rh1 P1 C18 -6.1(4) . . . . ? C37 Rh1 P1 C18 -94.6(3) . . . . ? C36 Rh1 P1 C18 -58.4(3) . . . . ? P2 Rh1 P1 C18 106.9(2) . . . . ? C39 Rh1 P1 C1 94.4(7) . . . . ? C40 Rh1 P1 C1 -131.7(4) . . . . ? C37 Rh1 P1 C1 139.8(3) . . . . ? C36 Rh1 P1 C1 176.0(3) . . . . ? P2 Rh1 P1 C1 -18.7(2) . . . . ? C39 Rh1 P2 C24 -74.9(3) . . . . ? C40 Rh1 P2 C24 -111.4(3) . . . . ? C37 Rh1 P2 C24 -38.0(4) . . . . ? C36 Rh1 P2 C24 -135.8(5) . . . . ? P1 Rh1 P2 C24 91.2(2) . . . . ? C39 Rh1 P2 C30 44.7(3) . . . . ? C40 Rh1 P2 C30 8.2(3) . . . . ? C37 Rh1 P2 C30 81.6(4) . . . . ? C36 Rh1 P2 C30 -16.2(6) . . . . ? P1 Rh1 P2 C30 -149.2(2) . . . . ? C39 Rh1 P2 C7 167.3(3) . . . . ? C40 Rh1 P2 C7 130.8(3) . . . . ? C37 Rh1 P2 C7 -155.8(4) . . . . ? C36 Rh1 P2 C7 106.4(5) . . . . ? P1 Rh1 P2 C7 -26.6(2) . . . . ? C12 P1 C1 C2 -8.8(5) . . . . ? C18 P1 C1 C2 100.3(5) . . . . ? Rh1 P1 C1 C2 -133.1(4) . . . . ? C12 P1 C1 C6 159.0(5) . . . . ? C18 P1 C1 C6 -91.8(5) . . . . ? Rh1 P1 C1 C6 34.7(5) . . . . ? C12 P1 C1 Cr1 -102.2(5) . . . . ? C18 P1 C1 Cr1 7.0(6) . . . . ? Rh1 P1 C1 Cr1 133.5(4) . . . . ? C10 Cr1 C1 C2 91.2(9) . . . . ? C9 Cr1 C1 C2 -153.8(4) . . . . ? C11 Cr1 C1 C2 -60.6(4) . . . . ? C3 Cr1 C1 C2 28.3(3) . . . . ? C4 Cr1 C1 C2 65.2(4) . . . . ? C5 Cr1 C1 C2 101.5(4) . . . . ? C6 Cr1 C1 C2 132.1(5) . . . . ? C10 Cr1 C1 C6 -40.9(10) . . . . ? C9 Cr1 C1 C6 74.1(4) . . . . ? C11 Cr1 C1 C6 167.3(4) . . . . ? C2 Cr1 C1 C6 -132.1(5) . . . . ? C3 Cr1 C1 C6 -103.8(4) . . . . ? C4 Cr1 C1 C6 -66.9(3) . . . . ? C5 Cr1 C1 C6 -30.6(3) . . . . ? C10 Cr1 C1 P1 -157.9(8) . . . . ? C9 Cr1 C1 P1 -42.8(6) . . . . ? C11 Cr1 C1 P1 50.3(6) . . . . ? C2 Cr1 C1 P1 110.9(6) . . . . ? C3 Cr1 C1 P1 139.3(6) . . . . ? C4 Cr1 C1 P1 176.1(5) . . . . ? C5 Cr1 C1 P1 -147.6(6) . . . . ? C6 Cr1 C1 P1 -117.0(6) . . . . ? C6 C1 C2 C3 -2.9(9) . . . . ? P1 C1 C2 C3 165.5(5) . . . . ? Cr1 C1 C2 C3 -54.6(5) . . . . ? C6 C1 C2 Cr1 51.6(5) . . . . ? P1 C1 C2 Cr1 -140.0(4) . . . . ? C10 Cr1 C2 C3 -16.8(5) . . . . ? C9 Cr1 C2 C3 170.0(4) . . . . ? C11 Cr1 C2 C3 -101.8(4) . . . . ? C4 Cr1 C2 C3 30.3(3) . . . . ? C5 Cr1 C2 C3 67.1(4) . . . . ? C6 Cr1 C2 C3 104.2(4) . . . . ? C1 Cr1 C2 C3 133.7(5) . . . . ? C10 Cr1 C2 C1 -150.6(4) . . . . ? C9 Cr1 C2 C1 36.2(5) . . . . ? C11 Cr1 C2 C1 124.5(4) . . . . ? C3 Cr1 C2 C1 -133.7(5) . . . . ? C4 Cr1 C2 C1 -103.4(4) . . . . ? C5 Cr1 C2 C1 -66.7(4) . . . . ? C6 Cr1 C2 C1 -29.5(3) . . . . ? C1 C2 C3 C4 -0.7(9) . . . . ? Cr1 C2 C3 C4 -56.5(5) . . . . ? C1 C2 C3 Cr1 55.9(5) . . . . ? C10 Cr1 C3 C4 -61.3(4) . . . . ? C9 Cr1 C3 C4 91.7(13) . . . . ? C11 Cr1 C3 C4 -150.3(4) . . . . ? C2 Cr1 C3 C4 129.8(5) . . . . ? C5 Cr1 C3 C4 28.8(4) . . . . ? C6 Cr1 C3 C4 64.7(4) . . . . ? C1 Cr1 C3 C4 101.8(4) . . . . ? C10 Cr1 C3 C2 168.9(4) . . . . ? C9 Cr1 C3 C2 -38.0(14) . . . . ? C11 Cr1 C3 C2 79.9(4) . . . . ? C4 Cr1 C3 C2 -129.8(5) . . . . ? C5 Cr1 C3 C2 -100.9(4) . . . . ? C6 Cr1 C3 C2 -65.1(4) . . . . ? C1 Cr1 C3 C2 -28.0(3) . . . . ? C2 C3 C4 C5 1.5(10) . . . . ? Cr1 C3 C4 C5 -54.6(6) . . . . ? C2 C3 C4 Cr1 56.1(5) . . . . ? C10 Cr1 C4 C5 -106.7(4) . . . . ? C9 Cr1 C4 C5 -28.1(6) . . . . ? C11 Cr1 C4 C5 170.6(4) . . . . ? C2 Cr1 C4 C5 101.7(4) . . . . ? C3 Cr1 C4 C5 132.3(5) . . . . ? C6 Cr1 C4 C5 27.6(3) . . . . ? C1 Cr1 C4 C5 65.3(4) . . . . ? C10 Cr1 C4 C3 121.0(4) . . . . ? C9 Cr1 C4 C3 -160.4(4) . . . . ? C11 Cr1 C4 C3 38.2(5) . . . . ? C2 Cr1 C4 C3 -30.6(4) . . . . ? C5 Cr1 C4 C3 -132.3(5) . . . . ? C6 Cr1 C4 C3 -104.8(4) . . . . ? C1 Cr1 C4 C3 -67.1(4) . . . . ? C3 C4 C5 C6 1.4(10) . . . . ? Cr1 C4 C5 C6 -52.7(6) . . . . ? C3 C4 C5 Cr1 54.0(6) . . . . ? C10 Cr1 C5 C4 73.3(4) . . . . ? C9 Cr1 C5 C4 162.2(4) . . . . ? C11 Cr1 C5 C4 -26.0(10) . . . . ? C2 Cr1 C5 C4 -66.5(4) . . . . ? C3 Cr1 C5 C4 -29.0(3) . . . . ? C6 Cr1 C5 C4 -134.7(5) . . . . ? C1 Cr1 C5 C4 -103.4(4) . . . . ? C10 Cr1 C5 C6 -152.0(4) . . . . ? C9 Cr1 C5 C6 -63.1(4) . . . . ? C11 Cr1 C5 C6 108.7(9) . . . . ? C2 Cr1 C5 C6 68.2(4) . . . . ? C3 Cr1 C5 C6 105.7(4) . . . . ? C4 Cr1 C5 C6 134.7(5) . . . . ? C1 Cr1 C5 C6 31.3(3) . . . . ? C4 C5 C6 C1 -5.0(9) . . . . ? Cr1 C5 C6 C1 -57.5(5) . . . . ? C4 C5 C6 C7 178.6(6) . . . . ? Cr1 C5 C6 C7 126.1(5) . . . . ? C4 C5 C6 Cr1 52.5(6) . . . . ? C2 C1 C6 C5 5.6(8) . . . . ? P1 C1 C6 C5 -162.4(4) . . . . ? Cr1 C1 C6 C5 57.0(5) . . . . ? C2 C1 C6 C7 -178.1(5) . . . . ? P1 C1 C6 C7 13.9(8) . . . . ? Cr1 C1 C6 C7 -126.8(5) . . . . ? C2 C1 C6 Cr1 -51.3(5) . . . . ? P1 C1 C6 Cr1 140.6(4) . . . . ? C10 Cr1 C6 C5 35.9(5) . . . . ? C9 Cr1 C6 C5 121.8(4) . . . . ? C11 Cr1 C6 C5 -150.4(5) . . . . ? C2 Cr1 C6 C5 -100.2(4) . . . . ? C3 Cr1 C6 C5 -63.6(4) . . . . ? C4 Cr1 C6 C5 -27.5(3) . . . . ? C1 Cr1 C6 C5 -129.0(5) . . . . ? C10 Cr1 C6 C1 164.9(4) . . . . ? C9 Cr1 C6 C1 -109.2(4) . . . . ? C11 Cr1 C6 C1 -21.4(6) . . . . ? C2 Cr1 C6 C1 28.8(3) . . . . ? C3 Cr1 C6 C1 65.4(3) . . . . ? C4 Cr1 C6 C1 101.6(4) . . . . ? C5 Cr1 C6 C1 129.0(5) . . . . ? C10 Cr1 C6 C7 -76.8(6) . . . . ? C9 Cr1 C6 C7 9.1(5) . . . . ? C11 Cr1 C6 C7 96.9(6) . . . . ? C2 Cr1 C6 C7 147.1(5) . . . . ? C3 Cr1 C6 C7 -176.3(5) . . . . ? C4 Cr1 C6 C7 -140.1(5) . . . . ? C5 Cr1 C6 C7 -112.7(6) . . . . ? C1 Cr1 C6 C7 118.3(6) . . . . ? C5 C6 C7 C8 -22.3(8) . . . . ? C1 C6 C7 C8 161.5(5) . . . . ? Cr1 C6 C7 C8 67.3(7) . . . . ? C5 C6 C7 P2 105.5(5) . . . . ? C1 C6 C7 P2 -70.7(6) . . . . ? Cr1 C6 C7 P2 -165.0(3) . . . . ? C24 P2 C7 C6 -50.1(4) . . . . ? C30 P2 C7 C6 -160.0(3) . . . . ? Rh1 P2 C7 C6 74.3(4) . . . . ? C24 P2 C7 C8 76.8(5) . . . . ? C30 P2 C7 C8 -33.0(5) . . . . ? Rh1 P2 C7 C8 -158.8(4) . . . . ? C10 Cr1 C9 O1 -31(15) . . . . ? C11 Cr1 C9 O1 56(15) . . . . ? C2 Cr1 C9 O1 144(15) . . . . ? C3 Cr1 C9 O1 175(100) . . . . ? C4 Cr1 C9 O1 -109(15) . . . . ? C5 Cr1 C9 O1 -126(15) . . . . ? C6 Cr1 C9 O1 -159(15) . . . . ? C1 Cr1 C9 O1 165(15) . . . . ? C9 Cr1 C10 O2 -121(81) . . . . ? C11 Cr1 C10 O2 150(81) . . . . ? C2 Cr1 C10 O2 64(81) . . . . ? C3 Cr1 C10 O2 54(81) . . . . ? C4 Cr1 C10 O2 22(81) . . . . ? C5 Cr1 C10 O2 -13(81) . . . . ? C6 Cr1 C10 O2 -34(81) . . . . ? C1 Cr1 C10 O2 -4(81) . . . . ? C10 Cr1 C11 O3 49(19) . . . . ? C9 Cr1 C11 O3 -39(19) . . . . ? C2 Cr1 C11 O3 -171(19) . . . . ? C3 Cr1 C11 O3 152(19) . . . . ? C4 Cr1 C11 O3 130(19) . . . . ? C5 Cr1 C11 O3 149(18) . . . . ? C6 Cr1 C11 O3 -126(19) . . . . ? C1 Cr1 C11 O3 -140(19) . . . . ? C18 P1 C12 C17 176.1(4) . . . . ? C1 P1 C12 C17 -69.8(4) . . . . ? Rh1 P1 C12 C17 54.1(5) . . . . ? C18 P1 C12 C13 51.4(4) . . . . ? C1 P1 C12 C13 165.5(4) . . . . ? Rh1 P1 C12 C13 -70.7(4) . . . . ? C17 C12 C13 C14 55.8(6) . . . . ? P1 C12 C13 C14 -178.0(4) . . . . ? C12 C13 C14 C15 -57.2(7) . . . . ? C13 C14 C15 C16 57.3(7) . . . . ? C14 C15 C16 C17 -56.2(7) . . . . ? C13 C12 C17 C16 -56.3(6) . . . . ? P1 C12 C17 C16 177.1(4) . . . . ? C15 C16 C17 C12 56.8(7) . . . . ? C12 P1 C18 C19 -176.8(4) . . . . ? C1 P1 C18 C19 75.1(5) . . . . ? Rh1 P1 C18 C19 -52.7(4) . . . . ? C12 P1 C18 C23 52.7(5) . . . . ? C1 P1 C18 C23 -55.4(5) . . . . ? Rh1 P1 C18 C23 176.8(3) . . . . ? C23 C18 C19 C20 -55.4(6) . . . . ? P1 C18 C19 C20 172.5(4) . . . . ? C18 C19 C20 C21 56.4(7) . . . . ? C19 C20 C21 C22 -56.9(7) . . . . ? C20 C21 C22 C23 56.6(8) . . . . ? C21 C22 C23 C18 -54.5(7) . . . . ? C19 C18 C23 C22 54.1(6) . . . . ? P1 C18 C23 C22 -174.1(4) . . . . ? C30 P2 C24 C29 -140.9(5) . . . . ? C7 P2 C24 C29 106.8(5) . . . . ? Rh1 P2 C24 C29 -16.5(5) . . . . ? C30 P2 C24 C25 45.6(6) . . . . ? C7 P2 C24 C25 -66.7(5) . . . . ? Rh1 P2 C24 C25 170.0(4) . . . . ? C29 C24 C25 C26 -0.8(9) . . . . ? P2 C24 C25 C26 172.8(5) . . . . ? C24 C25 C26 C27 -0.4(10) . . . . ? C25 C26 C27 C28 1.4(11) . . . . ? C26 C27 C28 C29 -1.2(11) . . . . ? C27 C28 C29 C24 0.0(10) . . . . ? C25 C24 C29 C28 1.0(9) . . . . ? P2 C24 C29 C28 -172.9(5) . . . . ? C24 P2 C30 C35 -153.2(5) . . . . ? C7 P2 C30 C35 -44.2(5) . . . . ? Rh1 P2 C30 C35 81.4(5) . . . . ? C24 P2 C30 C31 32.6(5) . . . . ? C7 P2 C30 C31 141.7(5) . . . . ? Rh1 P2 C30 C31 -92.8(4) . . . . ? C35 C30 C31 C32 0.7(9) . . . . ? P2 C30 C31 C32 175.0(5) . . . . ? C30 C31 C32 C33 3.2(10) . . . . ? C31 C32 C33 C34 -5.4(11) . . . . ? C32 C33 C34 C35 3.5(11) . . . . ? C31 C30 C35 C34 -2.6(9) . . . . ? P2 C30 C35 C34 -176.9(4) . . . . ? C33 C34 C35 C30 0.6(9) . . . . ? C39 Rh1 C36 C37 65.1(4) . . . . ? C40 Rh1 C36 C37 101.6(4) . . . . ? P2 Rh1 C36 C37 128.6(5) . . . . ? P1 Rh1 C36 C37 -99.5(3) . . . . ? C39 Rh1 C36 C41 -39.2(4) . . . . ? C40 Rh1 C36 C41 -2.6(4) . . . . ? C37 Rh1 C36 C41 -104.3(5) . . . . ? P2 Rh1 C36 C41 24.3(7) . . . . ? P1 Rh1 C36 C41 156.2(3) . . . . ? C41 C36 C37 C38 -0.5(6) . . . . ? Rh1 C36 C37 C38 -90.2(4) . . . . ? C41 C36 C37 Rh1 89.7(4) . . . . ? C39 Rh1 C37 C36 -103.0(4) . . . . ? C40 Rh1 C37 C36 -66.0(4) . . . . ? P2 Rh1 C37 C36 -144.3(3) . . . . ? P1 Rh1 C37 C36 88.8(3) . . . . ? C39 Rh1 C37 C38 4.1(4) . . . . ? C40 Rh1 C37 C38 41.1(4) . . . . ? C36 Rh1 C37 C38 107.1(5) . . . . ? P2 Rh1 C37 C38 -37.2(6) . . . . ? P1 Rh1 C37 C38 -164.1(3) . . . . ? C36 C37 C38 C42 -34.2(6) . . . . ? Rh1 C37 C38 C42 -108.0(4) . . . . ? C36 C37 C38 C39 68.5(6) . . . . ? Rh1 C37 C38 C39 -5.4(5) . . . . ? C42 C38 C39 C40 34.8(6) . . . . ? C37 C38 C39 C40 -67.7(6) . . . . ? C42 C38 C39 Rh1 108.1(4) . . . . ? C37 C38 C39 Rh1 5.5(5) . . . . ? C37 Rh1 C39 C40 100.5(4) . . . . ? C36 Rh1 C39 C40 65.1(4) . . . . ? P2 Rh1 C39 C40 -97.1(3) . . . . ? P1 Rh1 C39 C40 149.9(6) . . . . ? C40 Rh1 C39 C38 -104.6(5) . . . . ? C37 Rh1 C39 C38 -4.1(4) . . . . ? C36 Rh1 C39 C38 -39.5(4) . . . . ? P2 Rh1 C39 C38 158.3(4) . . . . ? P1 Rh1 C39 C38 45.3(9) . . . . ? C38 C39 C40 C41 -0.5(6) . . . . ? Rh1 C39 C40 C41 -93.4(4) . . . . ? C38 C39 C40 Rh1 92.9(4) . . . . ? C37 Rh1 C40 C39 -66.8(4) . . . . ? C36 Rh1 C40 C39 -102.5(4) . . . . ? P2 Rh1 C40 C39 86.4(3) . . . . ? P1 Rh1 C40 C39 -161.5(3) . . . . ? C39 Rh1 C40 C41 105.3(5) . . . . ? C37 Rh1 C40 C41 38.5(4) . . . . ? C36 Rh1 C40 C41 2.7(4) . . . . ? P2 Rh1 C40 C41 -168.3(4) . . . . ? P1 Rh1 C40 C41 -56.3(6) . . . . ? C39 C40 C41 C42 -33.7(6) . . . . ? Rh1 C40 C41 C42 -107.0(4) . . . . ? C39 C40 C41 C36 69.6(6) . . . . ? Rh1 C40 C41 C36 -3.7(5) . . . . ? C37 C36 C41 C40 -68.6(6) . . . . ? Rh1 C36 C41 C40 3.5(5) . . . . ? C37 C36 C41 C42 34.8(6) . . . . ? Rh1 C36 C41 C42 106.9(4) . . . . ? C37 C38 C42 C41 51.9(5) . . . . ? C39 C38 C42 C41 -51.8(5) . . . . ? C40 C41 C42 C38 51.8(5) . . . . ? C36 C41 C42 C38 -52.7(5) . . . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 22.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.483 _refine_diff_density_min -0.488 _refine_diff_density_rms 0.068