data_rh _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C31 H40 B F4 P2 Rh' _chemical_formula_weight 664.29 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' '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' '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 9.9304(9) _cell_length_b 15.0030(14) _cell_length_c 19.6514(18) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2927.8(5) _cell_formula_units_Z 4 _cell_measurement_temperature 299(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'regular col' _exptl_crystal_colour 'deep red' _exptl_crystal_size_max 0.43 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.507 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1368 _exptl_absorpt_coefficient_mu 0.738 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.7419 _exptl_absorpt_correction_T_max 0.9101 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 299(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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22163 _diffrn_reflns_av_R_equivalents 0.0285 _diffrn_reflns_av_sigmaI/netI 0.0278 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 1.71 _diffrn_reflns_theta_max 28.31 _reflns_number_total 7272 _reflns_number_gt 6487 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0424P)^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 SHELXL _refine_ls_extinction_coef 0.0087(4) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.04(2) _refine_ls_number_reflns 7272 _refine_ls_number_parameters 361 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0336 _refine_ls_R_factor_gt 0.0279 _refine_ls_wR_factor_ref 0.0720 _refine_ls_wR_factor_gt 0.0698 _refine_ls_goodness_of_fit_ref 1.038 _refine_ls_restrained_S_all 1.038 _refine_ls_shift/su_max 0.009 _refine_ls_shift/su_mean 0.001 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh1 Rh 0.915938(17) 0.500476(14) 0.877268(8) 0.04096(7) Uani 1 1 d . . . P15 P 0.98127(6) 0.58768(4) 0.96796(3) 0.03239(12) Uani 1 1 d . . . C16 C 0.8735(3) 0.67641(17) 1.00047(14) 0.0455(6) Uani 1 1 d . . . H16A H 0.8948 0.7326 0.9786 0.055 Uiso 1 1 calc R . . H16B H 0.7795 0.6627 0.9923 0.055 Uiso 1 1 calc R . . C18 C 0.9158(3) 0.5865(2) 1.10128(13) 0.0579(7) Uani 1 1 d . . . H18A H 0.8288 0.5571 1.1006 0.069 Uiso 1 1 calc R . . H18B H 0.9495 0.5857 1.1476 0.069 Uiso 1 1 calc R . . C19 C 1.0153(3) 0.53727(17) 1.05354(12) 0.0383(5) Uani 1 1 d . . . H19 H 1.1063 0.5557 1.0668 0.046 Uiso 1 1 calc R . . C20 C 1.0099(3) 0.43680(17) 1.05976(14) 0.0449(6) Uani 1 1 d . . . H20A H 1.0170 0.4212 1.1075 0.054 Uiso 1 1 calc R . . H20B H 0.9224 0.4167 1.0440 0.054 Uiso 1 1 calc R . . C17 C 0.9020(3) 0.6813(2) 1.07673(13) 0.0552(7) Uani 1 1 d . . . H17A H 0.9844 0.7142 1.0852 0.066 Uiso 1 1 calc R . . H17B H 0.8287 0.7110 1.1002 0.066 Uiso 1 1 calc R . . P12 P 1.12559(6) 0.53242(4) 0.83775(3) 0.03617(13) Uani 1 1 d . . . C27 C 0.6930(3) 0.4966(2) 0.87769(15) 0.0580(7) Uani 1 1 d . . . H27 H 0.6374 0.5472 0.8921 0.070 Uiso 1 1 calc R . . F36 F 0.5668(3) 0.50372(15) 0.07631(14) 0.1080(8) Uani 1 1 d . . . F38 F 0.5823(3) 0.64333(18) 0.11647(16) 0.1160(9) Uani 1 1 d . . . C8 C 1.1448(3) 0.62013(18) 0.77168(13) 0.0442(6) Uani 1 1 d . . . H8 H 1.1543 0.6783 0.7939 0.053 Uiso 1 1 calc R . . F35 F 0.5388(3) 0.6174(2) 0.00917(16) 0.1337(11) Uani 1 1 d . . . C31 C 0.8270(3) 0.43404(19) 0.78814(14) 0.0518(7) Uani 1 1 d . . . F37 F 0.3803(2) 0.58973(18) 0.08347(16) 0.1129(9) Uani 1 1 d . . . C13 C 1.2288(2) 0.57837(19) 0.90722(13) 0.0448(6) Uani 1 1 d . . . H13A H 1.2608 0.5307 0.9363 0.054 Uiso 1 1 calc R . . H13B H 1.3062 0.6095 0.8887 0.054 Uiso 1 1 calc R . . C14 C 1.1420(3) 0.64218(17) 0.94771(13) 0.0451(6) Uani 1 1 d . . . H14A H 1.1257 0.6958 0.9214 0.054 Uiso 1 1 calc R . . H14B H 1.1878 0.6589 0.9894 0.054 Uiso 1 1 calc R . . C10 C 1.2862(3) 0.4945(3) 0.72977(16) 0.0744(9) Uani 1 1 d . . . H10A H 1.3787 0.4763 0.7222 0.089 Uiso 1 1 calc R . . H10B H 1.2331 0.4759 0.6908 0.089 Uiso 1 1 calc R . . C6 C 0.8949(3) 0.65695(17) 0.74478(12) 0.0422(6) Uani 1 1 d . . . C7 C 1.0291(3) 0.62468(19) 0.71933(13) 0.0470(6) Uani 1 1 d . . . H7A H 1.0572 0.6634 0.6825 0.056 Uiso 1 1 calc R . . H7B H 1.0168 0.5656 0.7003 0.056 Uiso 1 1 calc R . . C21 C 1.1162(3) 0.38683(15) 1.02135(12) 0.0415(5) Uani 1 1 d . . . C9 C 1.2791(3) 0.5950(2) 0.73746(16) 0.0617(8) Uani 1 1 d . . . H9A H 1.2852 0.6231 0.6931 0.074 Uiso 1 1 calc R . . H9B H 1.3538 0.6158 0.7650 0.074 Uiso 1 1 calc R . . C4 C 0.6545(3) 0.6680(2) 0.72702(16) 0.0589(7) Uani 1 1 d . . . H4 H 0.5783 0.6523 0.7022 0.071 Uiso 1 1 calc R . . C22 C 1.0810(3) 0.32540(19) 0.97206(15) 0.0556(7) Uani 1 1 d . . . H22 H 0.9905 0.3149 0.9629 0.067 Uiso 1 1 calc R . . C26 C 1.2527(3) 0.40115(18) 1.03389(16) 0.0487(6) Uani 1 1 d . . . H26 H 1.2791 0.4409 1.0677 0.058 Uiso 1 1 calc R . . C5 C 0.7786(3) 0.6347(2) 0.70829(14) 0.0513(7) Uani 1 1 d . . . H5 H 0.7851 0.5969 0.6709 0.062 Uiso 1 1 calc R . . C29 C 0.7526(3) 0.3480(2) 0.88046(16) 0.0598(8) Uani 1 1 d . . . H29 H 0.7579 0.2920 0.9061 0.072 Uiso 1 1 calc R . . C1 C 0.8797(3) 0.7142(2) 0.80017(14) 0.0537(7) Uani 1 1 d . . . H1 H 0.9550 0.7305 0.8254 0.064 Uiso 1 1 calc R . . C30 C 0.8722(3) 0.37025(18) 0.83261(15) 0.0533(7) Uani 1 1 d . . . H30 H 0.9424 0.3270 0.8209 0.064 Uiso 1 1 calc R . . C32 C 0.6793(3) 0.4526(2) 0.80798(17) 0.0614(8) Uani 1 1 d . . . C11 C 1.2318(4) 0.4499(2) 0.79478(18) 0.0643(9) Uani 1 1 d . . . H11A H 1.3055 0.4320 0.8241 0.077 Uiso 1 1 calc R . . H11B H 1.1794 0.3974 0.7833 0.077 Uiso 1 1 calc R . . C28 C 0.7368(3) 0.4331(2) 0.92128(15) 0.0563(8) Uani 1 1 d . . . H28 H 0.7160 0.4337 0.9700 0.068 Uiso 1 1 calc R . . C3 C 0.6423(3) 0.7240(2) 0.78176(16) 0.0610(8) Uani 1 1 d . . . H3 H 0.5584 0.7462 0.7941 0.073 Uiso 1 1 calc R . . C25 C 1.3495(3) 0.35627(19) 0.99602(18) 0.0599(8) Uani 1 1 d . . . H25 H 1.4404 0.3674 1.0037 0.072 Uiso 1 1 calc R . . C2 C 0.7546(3) 0.7471(2) 0.81830(16) 0.0645(9) Uani 1 1 d . . . H2 H 0.7466 0.7851 0.8555 0.077 Uiso 1 1 calc R . . C24 C 1.3120(4) 0.2955(2) 0.94725(18) 0.0701(10) Uani 1 1 d . . . H24 H 1.3771 0.2656 0.9220 0.084 Uiso 1 1 calc R . . C23 C 1.1784(4) 0.2793(2) 0.93607(18) 0.0720(10) Uani 1 1 d . . . H23 H 1.1528 0.2370 0.9040 0.086 Uiso 1 1 calc R . . C33 C 0.6346(4) 0.3581(2) 0.83017(18) 0.0715(10) Uani 1 1 d . . . H33A H 0.5472 0.3574 0.8523 0.086 Uiso 1 1 calc R . . H33B H 0.6372 0.3150 0.7934 0.086 Uiso 1 1 calc R . . B34 B 0.5152(4) 0.5867(2) 0.07352(19) 0.0583(8) Uani 1 1 d . . . H32 H 0.621(4) 0.478(2) 0.7761(19) 0.076(10) Uiso 1 1 d . . . H31 H 0.868(3) 0.4417(18) 0.7447(15) 0.048(8) Uiso 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 0.03751(9) 0.04964(11) 0.03572(9) -0.01103(10) 0.00561(7) -0.01364(9) P15 0.0342(3) 0.0327(3) 0.0302(3) -0.0022(2) 0.0002(2) -0.0043(2) C16 0.0482(14) 0.0396(13) 0.0486(13) -0.0031(11) -0.0052(12) 0.0076(11) C18 0.0611(17) 0.081(2) 0.0318(11) -0.0007(13) 0.0044(12) 0.0258(16) C19 0.0372(12) 0.0447(12) 0.0330(11) 0.0008(10) 0.0006(9) 0.0067(10) C20 0.0469(15) 0.0460(14) 0.0420(13) 0.0128(11) 0.0012(11) 0.0007(12) C17 0.0588(18) 0.0598(17) 0.0469(14) -0.0180(13) -0.0030(13) 0.0171(14) P12 0.0364(3) 0.0386(3) 0.0336(3) 0.0028(2) 0.0048(2) -0.0012(2) C27 0.0406(12) 0.0616(16) 0.0719(18) -0.008(2) 0.0066(11) -0.0080(14) F36 0.135(2) 0.0585(12) 0.131(2) 0.0031(14) -0.0040(15) 0.0173(17) F38 0.0883(17) 0.1086(18) 0.151(2) -0.0571(18) -0.0116(16) 0.0002(14) C8 0.0467(14) 0.0478(14) 0.0380(12) 0.0089(11) 0.0063(11) -0.0051(11) F35 0.136(3) 0.156(3) 0.109(2) 0.045(2) 0.0340(19) 0.031(2) C31 0.0652(18) 0.0543(16) 0.0358(13) -0.0030(12) -0.0052(12) -0.0201(14) F37 0.0703(15) 0.1088(18) 0.160(2) -0.0382(18) 0.0342(16) -0.0230(14) C13 0.0333(12) 0.0581(17) 0.0429(13) 0.0073(12) -0.0029(10) -0.0069(11) C14 0.0436(14) 0.0490(15) 0.0426(13) -0.0009(11) -0.0025(11) -0.0180(11) C10 0.0648(19) 0.098(3) 0.0604(17) 0.001(2) 0.0274(14) 0.022(2) C6 0.0502(16) 0.0416(13) 0.0347(11) 0.0060(10) -0.0033(10) -0.0020(11) C7 0.0554(16) 0.0501(14) 0.0356(12) 0.0045(11) 0.0027(11) 0.0000(12) C21 0.0498(14) 0.0332(11) 0.0414(12) 0.0103(9) -0.0050(11) -0.0014(10) C9 0.0453(16) 0.089(2) 0.0511(16) 0.0146(16) 0.0145(13) -0.0099(16) C4 0.0518(17) 0.073(2) 0.0523(16) -0.0041(15) -0.0102(13) -0.0060(15) C22 0.0636(17) 0.0486(15) 0.0546(15) 0.0002(13) -0.0090(15) -0.0058(14) C26 0.0505(15) 0.0384(14) 0.0571(16) 0.0031(13) -0.0050(12) 0.0019(11) C5 0.0625(17) 0.0551(16) 0.0362(13) -0.0020(12) -0.0032(12) -0.0069(13) C29 0.0620(19) 0.0561(18) 0.0613(18) 0.0165(15) -0.0096(15) -0.0220(13) C1 0.0547(17) 0.0590(16) 0.0474(15) -0.0095(12) -0.0120(13) 0.0055(13) C30 0.0634(18) 0.0431(14) 0.0533(15) -0.0073(12) 0.0039(14) -0.0108(13) C32 0.0595(19) 0.0672(19) 0.0574(17) 0.0142(15) -0.0195(15) -0.0163(15) C11 0.072(2) 0.0541(18) 0.066(2) -0.0025(16) 0.0274(16) 0.0139(15) C28 0.0476(15) 0.079(2) 0.0426(14) 0.0010(15) 0.0018(12) -0.0248(15) C3 0.0553(18) 0.074(2) 0.0537(16) -0.0019(15) -0.0039(14) 0.0095(15) C25 0.0508(17) 0.0490(16) 0.080(2) 0.0088(16) 0.0043(15) 0.0039(13) C2 0.074(2) 0.065(2) 0.0552(18) -0.0170(16) -0.0088(16) 0.0152(16) C24 0.094(3) 0.0526(18) 0.064(2) 0.0081(16) 0.0241(18) 0.0229(18) C23 0.098(3) 0.0589(19) 0.0595(19) -0.0103(16) -0.0060(18) 0.0076(19) C33 0.072(2) 0.072(2) 0.070(2) 0.0068(17) -0.0192(17) -0.0405(18) B34 0.062(2) 0.0482(18) 0.065(2) -0.0030(16) 0.0095(16) 0.0005(16) _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 C30 2.185(3) . ? Rh1 C31 2.200(3) . ? Rh1 C27 2.215(3) . ? Rh1 C28 2.221(3) . ? Rh1 P12 2.2731(6) . ? Rh1 P15 2.3042(6) . ? P15 C16 1.823(3) . ? P15 C14 1.837(3) . ? P15 C19 1.875(2) . ? C16 C17 1.527(4) . ? C18 C17 1.508(4) . ? C18 C19 1.550(3) . ? C19 C20 1.513(4) . ? C20 C21 1.499(4) . ? P12 C11 1.832(3) . ? P12 C13 1.841(3) . ? P12 C8 1.858(3) . ? C27 C28 1.353(4) . ? C27 C32 1.527(4) . ? F36 B34 1.347(4) . ? F38 B34 1.371(4) . ? C8 C9 1.541(4) . ? C8 C7 1.543(4) . ? F35 B34 1.366(5) . ? C31 C30 1.371(4) . ? C31 C32 1.543(5) . ? F37 B34 1.354(4) . ? C13 C14 1.514(4) . ? C10 C9 1.516(6) . ? C10 C11 1.540(5) . ? C6 C1 1.394(4) . ? C6 C5 1.400(4) . ? C6 C7 1.504(4) . ? C21 C22 1.382(4) . ? C21 C26 1.394(4) . ? C4 C3 1.370(4) . ? C4 C5 1.380(5) . ? C22 C23 1.384(5) . ? C26 C25 1.390(4) . ? C29 C28 1.517(5) . ? C29 C33 1.540(4) . ? C29 C30 1.551(4) . ? C1 C2 1.383(4) . ? C32 C33 1.548(4) . ? C3 C2 1.370(5) . ? C25 C24 1.374(5) . ? C24 C23 1.366(6) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C30 Rh1 C31 36.44(11) . . ? C30 Rh1 C27 77.25(12) . . ? C31 Rh1 C27 65.79(12) . . ? C30 Rh1 C28 65.82(12) . . ? C31 Rh1 C28 77.44(11) . . ? C27 Rh1 C28 35.52(11) . . ? C30 Rh1 P12 103.50(8) . . ? C31 Rh1 P12 101.02(8) . . ? C27 Rh1 P12 157.27(8) . . ? C28 Rh1 P12 164.25(9) . . ? C30 Rh1 P15 150.95(8) . . ? C31 Rh1 P15 170.40(9) . . ? C27 Rh1 P15 107.06(8) . . ? C28 Rh1 P15 100.52(8) . . ? P12 Rh1 P15 83.49(2) . . ? C16 P15 C14 105.12(13) . . ? C16 P15 C19 94.94(12) . . ? C14 P15 C19 102.55(12) . . ? C16 P15 Rh1 121.35(9) . . ? C14 P15 Rh1 109.26(8) . . ? C19 P15 Rh1 121.04(8) . . ? C17 C16 P15 105.68(18) . . ? C17 C18 C19 108.3(2) . . ? C20 C19 C18 113.8(2) . . ? C20 C19 P15 117.9(2) . . ? C18 C19 P15 103.64(17) . . ? C21 C20 C19 115.6(2) . . ? C18 C17 C16 106.6(2) . . ? C11 P12 C13 105.93(16) . . ? C11 P12 C8 95.60(14) . . ? C13 P12 C8 101.29(13) . . ? C11 P12 Rh1 122.81(12) . . ? C13 P12 Rh1 109.60(8) . . ? C8 P12 Rh1 118.81(9) . . ? C28 C27 C32 107.0(3) . . ? C28 C27 Rh1 72.49(16) . . ? C32 C27 Rh1 95.58(18) . . ? C9 C8 C7 111.4(2) . . ? C9 C8 P12 102.72(19) . . ? C7 C8 P12 114.87(19) . . ? C30 C31 C32 106.0(3) . . ? C30 C31 Rh1 71.20(16) . . ? C32 C31 Rh1 95.68(19) . . ? C14 C13 P12 108.03(17) . . ? C13 C14 P15 109.09(17) . . ? C9 C10 C11 109.5(3) . . ? C1 C6 C5 117.2(3) . . ? C1 C6 C7 123.6(2) . . ? C5 C6 C7 118.9(2) . . ? C6 C7 C8 116.9(2) . . ? C22 C21 C26 118.2(3) . . ? C22 C21 C20 120.5(3) . . ? C26 C21 C20 121.2(2) . . ? C10 C9 C8 109.1(2) . . ? C3 C4 C5 120.7(3) . . ? C21 C22 C23 121.0(3) . . ? C25 C26 C21 120.2(3) . . ? C4 C5 C6 120.9(3) . . ? C28 C29 C33 100.2(3) . . ? C28 C29 C30 102.6(2) . . ? C33 C29 C30 99.9(3) . . ? C2 C1 C6 121.2(3) . . ? C31 C30 C29 106.6(3) . . ? C31 C30 Rh1 72.36(16) . . ? C29 C30 Rh1 95.83(18) . . ? C27 C32 C31 102.7(2) . . ? C27 C32 C33 99.7(3) . . ? C31 C32 C33 100.3(3) . . ? C10 C11 P12 106.9(2) . . ? C27 C28 C29 106.9(2) . . ? C27 C28 Rh1 71.99(16) . . ? C29 C28 Rh1 95.43(17) . . ? C4 C3 C2 119.7(3) . . ? C24 C25 C26 120.5(3) . . ? C3 C2 C1 120.3(3) . . ? C23 C24 C25 119.6(3) . . ? C24 C23 C22 120.5(3) . . ? C29 C33 C32 93.0(2) . . ? F36 B34 F37 113.7(3) . . ? F36 B34 F35 106.5(3) . . ? F37 B34 F35 107.0(3) . . ? F36 B34 F38 111.3(3) . . ? F37 B34 F38 111.8(3) . . ? F35 B34 F38 106.1(3) . . ? 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 C30 Rh1 P15 C16 -122.3(2) . . . . ? C31 Rh1 P15 C16 12.9(5) . . . . ? C27 Rh1 P15 C16 -27.91(14) . . . . ? C28 Rh1 P15 C16 -63.91(14) . . . . ? P12 Rh1 P15 C16 131.49(11) . . . . ? C30 Rh1 P15 C14 115.2(2) . . . . ? C31 Rh1 P15 C14 -109.5(5) . . . . ? C27 Rh1 P15 C14 -150.34(13) . . . . ? C28 Rh1 P15 C14 173.66(13) . . . . ? P12 Rh1 P15 C14 9.06(10) . . . . ? C30 Rh1 P15 C19 -3.4(2) . . . . ? C31 Rh1 P15 C19 131.8(5) . . . . ? C27 Rh1 P15 C19 91.05(13) . . . . ? C28 Rh1 P15 C19 55.05(13) . . . . ? P12 Rh1 P15 C19 -109.55(10) . . . . ? C14 P15 C16 C17 -87.5(2) . . . . ? C19 P15 C16 C17 16.9(2) . . . . ? Rh1 P15 C16 C17 148.13(17) . . . . ? C17 C18 C19 C20 -164.1(3) . . . . ? C17 C18 C19 P15 -34.8(3) . . . . ? C16 P15 C19 C20 136.4(2) . . . . ? C14 P15 C19 C20 -116.9(2) . . . . ? Rh1 P15 C19 C20 5.0(3) . . . . ? C16 P15 C19 C18 9.7(2) . . . . ? C14 P15 C19 C18 116.4(2) . . . . ? Rh1 P15 C19 C18 -121.72(18) . . . . ? C18 C19 C20 C21 -172.4(2) . . . . ? P15 C19 C20 C21 65.9(3) . . . . ? C19 C18 C17 C16 49.7(3) . . . . ? P15 C16 C17 C18 -40.0(3) . . . . ? C30 Rh1 P12 C11 -11.36(17) . . . . ? C31 Rh1 P12 C11 -48.60(17) . . . . ? C27 Rh1 P12 C11 -100.5(3) . . . . ? C28 Rh1 P12 C11 34.2(3) . . . . ? P15 Rh1 P12 C11 139.98(15) . . . . ? C30 Rh1 P12 C13 -136.54(13) . . . . ? C31 Rh1 P12 C13 -173.78(13) . . . . ? C27 Rh1 P12 C13 134.3(2) . . . . ? C28 Rh1 P12 C13 -91.0(3) . . . . ? P15 Rh1 P12 C13 14.80(10) . . . . ? C30 Rh1 P12 C8 107.80(13) . . . . ? C31 Rh1 P12 C8 70.56(13) . . . . ? C27 Rh1 P12 C8 18.6(2) . . . . ? C28 Rh1 P12 C8 153.3(3) . . . . ? P15 Rh1 P12 C8 -100.86(10) . . . . ? C30 Rh1 C27 C28 66.06(19) . . . . ? C31 Rh1 C27 C28 102.7(2) . . . . ? P12 Rh1 C27 C28 160.61(18) . . . . ? P15 Rh1 C27 C28 -84.18(18) . . . . ? C30 Rh1 C27 C32 -40.0(2) . . . . ? C31 Rh1 C27 C32 -3.39(18) . . . . ? C28 Rh1 C27 C32 -106.1(3) . . . . ? P12 Rh1 C27 C32 54.5(3) . . . . ? P15 Rh1 C27 C32 169.75(17) . . . . ? C11 P12 C8 C9 -24.1(2) . . . . ? C13 P12 C8 C9 83.4(2) . . . . ? Rh1 P12 C8 C9 -156.56(17) . . . . ? C11 P12 C8 C7 97.0(2) . . . . ? C13 P12 C8 C7 -155.5(2) . . . . ? Rh1 P12 C8 C7 -35.5(2) . . . . ? C27 Rh1 C31 C30 -101.6(2) . . . . ? C28 Rh1 C31 C30 -66.1(2) . . . . ? P12 Rh1 C31 C30 97.86(18) . . . . ? P15 Rh1 C31 C30 -144.8(4) . . . . ? C30 Rh1 C31 C32 105.0(3) . . . . ? C27 Rh1 C31 C32 3.36(18) . . . . ? C28 Rh1 C31 C32 38.85(19) . . . . ? P12 Rh1 C31 C32 -157.16(16) . . . . ? P15 Rh1 C31 C32 -39.9(6) . . . . ? C11 P12 C13 C14 -175.85(18) . . . . ? C8 P12 C13 C14 84.91(19) . . . . ? Rh1 P12 C13 C14 -41.44(19) . . . . ? P12 C13 C14 P15 48.9(2) . . . . ? C16 P15 C14 C13 -168.64(19) . . . . ? C19 P15 C14 C13 92.65(19) . . . . ? Rh1 P15 C14 C13 -36.9(2) . . . . ? C1 C6 C7 C8 26.8(4) . . . . ? C5 C6 C7 C8 -158.4(3) . . . . ? C9 C8 C7 C6 -174.4(2) . . . . ? P12 C8 C7 C6 69.3(3) . . . . ? C19 C20 C21 C22 -120.7(3) . . . . ? C19 C20 C21 C26 58.9(3) . . . . ? C11 C10 C9 C8 -41.4(4) . . . . ? C7 C8 C9 C10 -83.0(3) . . . . ? P12 C8 C9 C10 40.4(3) . . . . ? C26 C21 C22 C23 0.0(4) . . . . ? C20 C21 C22 C23 179.6(3) . . . . ? C22 C21 C26 C25 1.9(4) . . . . ? C20 C21 C26 C25 -177.8(2) . . . . ? C3 C4 C5 C6 0.2(5) . . . . ? C1 C6 C5 C4 -0.3(4) . . . . ? C7 C6 C5 C4 -175.4(3) . . . . ? C5 C6 C1 C2 0.2(4) . . . . ? C7 C6 C1 C2 175.1(3) . . . . ? C32 C31 C30 C29 0.3(3) . . . . ? Rh1 C31 C30 C29 90.9(2) . . . . ? C32 C31 C30 Rh1 -90.6(2) . . . . ? C28 C29 C30 C31 -68.2(3) . . . . ? C33 C29 C30 C31 34.7(3) . . . . ? C28 C29 C30 Rh1 5.1(2) . . . . ? C33 C29 C30 Rh1 108.0(2) . . . . ? C27 Rh1 C30 C31 66.3(2) . . . . ? C28 Rh1 C30 C31 101.9(2) . . . . ? P12 Rh1 C30 C31 -90.33(18) . . . . ? P15 Rh1 C30 C31 168.59(15) . . . . ? C31 Rh1 C30 C29 -105.6(3) . . . . ? C27 Rh1 C30 C29 -39.30(18) . . . . ? C28 Rh1 C30 C29 -3.71(17) . . . . ? P12 Rh1 C30 C29 164.03(16) . . . . ? P15 Rh1 C30 C29 62.9(3) . . . . ? C28 C27 C32 C31 -68.8(3) . . . . ? Rh1 C27 C32 C31 4.5(2) . . . . ? C28 C27 C32 C33 34.1(3) . . . . ? Rh1 C27 C32 C33 107.5(2) . . . . ? C30 C31 C32 C27 67.5(3) . . . . ? Rh1 C31 C32 C27 -4.6(2) . . . . ? C30 C31 C32 C33 -35.1(3) . . . . ? Rh1 C31 C32 C33 -107.1(2) . . . . ? C9 C10 C11 P12 21.2(4) . . . . ? C13 P12 C11 C10 -101.1(3) . . . . ? C8 P12 C11 C10 2.3(3) . . . . ? Rh1 P12 C11 C10 132.1(2) . . . . ? C32 C27 C28 C29 0.3(3) . . . . ? Rh1 C27 C28 C29 -90.3(2) . . . . ? C32 C27 C28 Rh1 90.6(2) . . . . ? C33 C29 C28 C27 -34.9(3) . . . . ? C30 C29 C28 C27 67.8(3) . . . . ? C33 C29 C28 Rh1 -107.7(2) . . . . ? C30 C29 C28 Rh1 -5.0(2) . . . . ? C30 Rh1 C28 C27 -102.3(2) . . . . ? C31 Rh1 C28 C27 -65.73(19) . . . . ? P12 Rh1 C28 C27 -151.8(2) . . . . ? P15 Rh1 C28 C27 104.69(17) . . . . ? C30 Rh1 C28 C29 3.79(18) . . . . ? C31 Rh1 C28 C29 40.33(18) . . . . ? C27 Rh1 C28 C29 106.1(2) . . . . ? P12 Rh1 C28 C29 -45.7(4) . . . . ? P15 Rh1 C28 C29 -149.25(16) . . . . ? C5 C4 C3 C2 0.0(5) . . . . ? C21 C26 C25 C24 -1.9(4) . . . . ? C4 C3 C2 C1 0.0(5) . . . . ? C6 C1 C2 C3 -0.1(5) . . . . ? C26 C25 C24 C23 0.0(5) . . . . ? C25 C24 C23 C22 1.8(5) . . . . ? C21 C22 C23 C24 -1.8(5) . . . . ? C28 C29 C33 C32 52.2(3) . . . . ? C30 C29 C33 C32 -52.7(3) . . . . ? C27 C32 C33 C29 -51.7(3) . . . . ? C31 C32 C33 C29 53.2(3) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 28.31 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.498 _refine_diff_density_min -0.278 _refine_diff_density_rms 0.049