Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2001 X-Sun-Charset: us-ascii X-Sun-Content-Lines: 524 data_(M)-8 _database_code_CSD 155434 _journal_coden_Cambridge 182 loop_ _publ_author_name 'Barberis, Mario' 'Lahuerta, Pascual' 'Perez-Prieto, Julia' 'Sanau, Mercedes' _publ_contact_author_name 'Julia Perez-Prieto' _publ_contact_author_address ; Departmento de Quimica Organica Instituto de Ciencia Molecular Facultad de Farmacia Universidad de Vicent Andres Estelles s/n Burjassot Valencia 46100 SPAIN ; _publ_contact_author_email Mercedes.Sanau@uv.es _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C45 H36 N1.50 O2 P Rh' _chemical_formula_weight 763.63 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Rh' 'Rh' -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? tetragonal _symmetry_space_group_name_H-M ? P4(3)2(1)2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' '-y+1/2, x+1/2, z+3/4' 'y+1/2, -x+1/2, z+1/4' '-x+1/2, y+1/2, -z+3/4' 'x+1/2, -y+1/2, -z+1/4' 'y, x, -z' '-y, -x, -z+1/2' _cell_length_a 14.4211(6) _cell_length_b 14.4211(6) _cell_length_c 34.489(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 7172.6(6) _cell_formula_units_Z 8 _cell_measurement_temperature 153(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_density_diffrn 1.414 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3140 _exptl_absorpt_coefficient_mu 0.562 _diffrn_ambient_temperature 153(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 16982 _diffrn_reflns_av_R_equivalents 0.0482 _diffrn_reflns_av_sigmaI/netI 0.0513 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 38 _diffrn_reflns_theta_min 2.67 _diffrn_reflns_theta_max 23.35 _reflns_number_total 5146 _reflns_number_gt 4529 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w==1/[\s^2^(Fo^2^)+(0.0289P)^2^+5.2449P] 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 5146 _refine_ls_number_parameters 508 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0474 _refine_ls_R_factor_gt 0.0365 _refine_ls_wR_factor_ref 0.0776 _refine_ls_wR_factor_gt 0.0735 _refine_ls_goodness_of_fit_ref 1.114 _refine_ls_restrained_S_all 1.114 _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 0.88455(3) -0.06664(3) 0.034172(11) 0.01716(10) Uani 1 1 d . . . O1 O 0.8801(2) 0.0730(2) 0.01125(8) 0.0218(7) Uani 1 1 d . . . N1 N 0.7833(7) 0.0789(7) 0.2444(3) 0.031(2) Uani 0.50 1 d P . . P2 P 0.73743(9) -0.08873(9) 0.01675(4) 0.0203(3) Uani 1 1 d . . . O2 O 1.0306(2) -0.0426(2) 0.04193(9) 0.0217(8) Uani 1 1 d . . . C2 C 0.8724(8) 0.0600(7) 0.2475(2) 0.112(4) Uani 1 1 d . . . H2 H 0.8914 -0.0030 0.2462 0.135 Uiso 1 1 calc R . . C3 C 0.7600(6) 0.1716(7) 0.24756(19) 0.087(3) Uani 1 1 d . . . H3 H 0.6966 0.1893 0.2464 0.104 Uiso 1 1 calc R . . C10 C 0.9298(4) 0.1943(3) -0.03210(15) 0.0249(11) Uani 1 1 d . . . C11 C 0.9968(4) 0.2043(3) -0.06655(15) 0.0270(13) Uani 1 1 d . . . C12 C 1.0876(4) 0.1748(4) -0.06228(18) 0.0358(16) Uani 1 1 d . . . C13 C 1.1533(4) 0.1863(4) -0.09175(18) 0.0403(15) Uani 1 1 d . . . H13 H 1.2148 0.1640 -0.0884 0.048 Uiso 1 1 calc R . . C14 C 1.1283(5) 0.2307(4) -0.12604(19) 0.0490(18) Uani 1 1 d . . . C15 C 1.0378(5) 0.2599(4) -0.13018(19) 0.0441(17) Uani 1 1 d . . . C16 C 0.9733(4) 0.2475(4) -0.10112(15) 0.0315(14) Uani 1 1 d . . . H16 H 0.9116 0.2689 -0.1048 0.038 Uiso 1 1 calc R . . C20 C 0.9240(3) 0.0904(3) -0.01938(13) 0.0235(12) Uani 1 1 d . . . C21 C 0.8289(4) 0.2187(4) -0.04398(14) 0.0267(13) Uani 1 1 d . . . C22 C 0.7818(4) 0.2953(4) -0.02881(17) 0.0396(15) Uani 1 1 d . . . H22 H 0.8113 0.3355 -0.0108 0.048 Uiso 1 1 calc R . . C23 C 0.6909(4) 0.3114(4) -0.04053(19) 0.0494(18) Uani 1 1 d . . . H23 H 0.6585 0.3630 -0.0300 0.059 Uiso 1 1 calc R . . C24 C 0.6469(4) 0.2560(4) -0.06647(18) 0.0440(17) Uani 1 1 d . . . H24 H 0.5854 0.2698 -0.0745 0.053 Uiso 1 1 calc R . . C25 C 0.6922(4) 0.1793(4) -0.08115(17) 0.0376(15) Uani 1 1 d . . . H25 H 0.6620 0.1396 -0.0991 0.045 Uiso 1 1 calc R . . C26 C 0.7822(4) 0.1609(4) -0.06939(15) 0.0296(13) Uani 1 1 d . . . C31 C 0.9637(4) 0.2589(3) 0.00068(15) 0.0282(13) Uani 1 1 d . . . C32 C 0.9547(5) 0.2415(4) 0.04008(17) 0.0527(18) Uani 1 1 d . . . H32 H 0.9292 0.1841 0.0484 0.063 Uiso 1 1 calc R . . C33 C 0.9820(5) 0.3063(4) 0.06762(19) 0.064(2) Uani 1 1 d . . . H33 H 0.9747 0.2924 0.0944 0.077 Uiso 1 1 calc R . . C34 C 1.0194(4) 0.3896(4) 0.05690(17) 0.0454(16) Uani 1 1 d . . . H34 H 1.0394 0.4328 0.0759 0.055 Uiso 1 1 calc R . . C35 C 1.0275(5) 0.4098(4) 0.0178(2) 0.0515(19) Uani 1 1 d . . . C36 C 1.0006(5) 0.3449(4) -0.00947(17) 0.0488(18) Uani 1 1 d . . . H36 H 1.0076 0.3595 -0.0362 0.059 Uiso 1 1 calc R . . C41 C 0.9030(3) -0.1928(3) 0.05737(14) 0.0191(12) Uani 1 1 d . . . C42 C 0.9215(3) -0.2718(3) 0.03547(13) 0.0197(10) Uani 1 1 d . . . C43 C 0.9438(4) -0.3560(4) 0.05324(15) 0.0276(13) Uani 1 1 d . . . C44 C 0.9466(4) -0.3644(3) 0.09317(14) 0.0310(13) Uani 1 1 d . . . H44 H 0.9602 -0.4222 0.1051 0.037 Uiso 1 1 calc R . . C45 C 0.9291(4) -0.2866(3) 0.11533(14) 0.0291(13) Uani 1 1 d . . . H45 H 0.9314 -0.2908 0.1428 0.035 Uiso 1 1 calc R . . C46 C 0.9085(3) -0.2030(4) 0.09807(15) 0.0241(13) Uani 1 1 d . . . N2 N 0.8747(3) 0.0126(3) 0.09195(12) 0.0249(10) Uani 1 1 d . . . C52 C 0.7965(4) 0.0424(4) 0.10742(16) 0.0454(17) Uani 1 1 d . . . H52 H 0.7397 0.0191 0.0974 0.054 Uiso 1 1 calc R . . C53 C 0.7930(5) 0.1060(5) 0.13770(17) 0.0548(19) Uani 1 1 d . . . H53 H 0.7349 0.1274 0.1471 0.066 Uiso 1 1 calc R . . C54 C 0.8715(6) 0.1370(4) 0.15348(18) 0.0559(19) Uani 1 1 d . . . H54 H 0.8703 0.1808 0.1740 0.067 Uiso 1 1 calc R . . C55 C 0.9527(5) 0.1044(5) 0.13955(18) 0.076(3) Uani 1 1 d . . . H55 H 1.0100 0.1231 0.1507 0.091 Uiso 1 1 calc R . . C56 C 0.9506(4) 0.0433(5) 0.10871(18) 0.057(2) Uani 1 1 d . . . H56 H 1.0083 0.0218 0.0989 0.069 Uiso 1 1 calc R . . C61 C 0.6728(3) -0.1950(3) 0.02898(15) 0.0229(12) Uani 1 1 d . . . C62 C 0.6064(4) -0.2310(4) 0.00450(16) 0.0340(14) Uani 1 1 d . . . C63 C 0.5510(4) -0.3030(4) 0.01618(19) 0.0459(17) Uani 1 1 d . . . C64 C 0.5618(5) -0.3427(4) 0.05227(18) 0.0419(16) Uani 1 1 d . . . C65 C 0.6288(4) -0.3086(4) 0.07679(16) 0.0350(14) Uani 1 1 d . . . H65 H 0.6371 -0.3358 0.1016 0.042 Uiso 1 1 calc R . . C66 C 0.6841(4) -0.2348(4) 0.06565(16) 0.0269(13) Uani 1 1 d . . . C71 C 0.6557(3) -0.0008(3) 0.03558(15) 0.0227(11) Uani 1 1 d . . . C72 C 0.6694(3) 0.0925(3) 0.02523(15) 0.0288(14) Uani 1 1 d . . . H72 H 0.7162 0.1085 0.0070 0.035 Uiso 1 1 calc R . . C73 C 0.6156(4) 0.1603(4) 0.04134(15) 0.0345(14) Uani 1 1 d . . . H73 H 0.6265 0.2231 0.0344 0.041 Uiso 1 1 calc R . . C74 C 0.5457(4) 0.1400(4) 0.06737(16) 0.0366(16) Uani 1 1 d . . . C75 C 0.5293(4) 0.0483(4) 0.07665(15) 0.0324(14) Uani 1 1 d . . . H75 H 0.4803 0.0330 0.0939 0.039 Uiso 1 1 calc R . . C76 C 0.5834(3) -0.0210(4) 0.06106(14) 0.0283(13) Uani 1 1 d . . . H76 H 0.5713 -0.0838 0.0678 0.034 Uiso 1 1 calc R . . H43 H 0.966(3) -0.406(3) 0.0389(13) 0.019(13) Uiso 1 1 d . . . H66 H 0.728(3) -0.217(3) 0.0821(13) 0.010(12) Uiso 1 1 d . . . H46 H 0.904(3) -0.151(3) 0.1135(12) 0.012(12) Uiso 1 1 d . . . H12 H 1.098(3) 0.141(3) -0.0418(15) 0.033(16) Uiso 1 1 d . . . H35 H 1.063(4) 0.466(4) 0.0101(16) 0.055(18) Uiso 1 1 d . . . H62 H 0.596(4) -0.202(4) -0.0219(16) 0.054(18) Uiso 1 1 d . . . H15 H 1.026(3) 0.283(3) -0.1533(16) 0.027(15) Uiso 1 1 d . . . H26 H 0.814(3) 0.103(3) -0.0801(13) 0.021(13) Uiso 1 1 d . . . H64 H 0.522(4) -0.389(4) 0.0589(15) 0.038(16) Uiso 1 1 d . . . H63 H 0.500(4) -0.324(4) 0.0010(16) 0.043(16) Uiso 1 1 d . . . H74 H 0.511(4) 0.176(4) 0.0788(15) 0.034(17) Uiso 1 1 d . . . H14 H 1.174(5) 0.240(4) -0.147(2) 0.08(2) 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 0.0215(2) 0.0205(2) 0.00946(18) -0.00088(17) 0.00109(17) 0.00225(18) O1 0.0298(19) 0.0216(18) 0.0140(17) 0.0015(15) 0.0032(16) 0.0012(15) N1 0.066(7) 0.025(5) 0.003(5) 0.006(4) 0.005(5) -0.025(5) P2 0.0237(7) 0.0265(8) 0.0107(7) 0.0007(5) 0.0014(5) 0.0023(6) O2 0.0256(18) 0.026(2) 0.0137(19) -0.0022(14) 0.0015(15) 0.0023(15) C2 0.189(10) 0.105(7) 0.042(5) 0.018(5) 0.040(7) -0.034(7) C3 0.092(6) 0.154(9) 0.015(4) -0.002(5) 0.003(4) -0.057(6) C10 0.035(3) 0.025(3) 0.014(3) 0.003(2) 0.008(3) 0.004(2) C11 0.036(3) 0.015(3) 0.030(3) 0.001(2) 0.008(3) -0.003(2) C12 0.050(5) 0.026(3) 0.031(4) 0.005(3) 0.006(3) -0.009(3) C13 0.035(4) 0.039(4) 0.047(4) 0.002(3) 0.007(3) -0.008(3) C14 0.060(5) 0.051(4) 0.036(4) 0.005(3) 0.021(4) -0.013(4) C15 0.063(5) 0.047(4) 0.022(4) 0.009(3) 0.005(3) -0.003(3) C16 0.042(3) 0.032(3) 0.021(3) 0.008(2) 0.005(3) 0.000(3) C20 0.021(3) 0.036(3) 0.013(3) 0.004(2) -0.003(2) 0.003(2) C21 0.036(3) 0.025(3) 0.020(3) 0.010(2) 0.005(3) 0.005(2) C22 0.054(4) 0.033(3) 0.033(4) 0.000(3) 0.002(3) 0.006(3) C23 0.056(4) 0.046(4) 0.046(5) 0.003(3) 0.005(3) 0.027(3) C24 0.046(4) 0.050(4) 0.037(4) 0.015(3) 0.004(3) 0.017(3) C25 0.048(4) 0.040(4) 0.025(4) 0.013(3) -0.005(3) 0.005(3) C26 0.040(4) 0.028(3) 0.021(3) 0.007(3) 0.007(3) 0.008(3) C31 0.040(3) 0.022(3) 0.023(3) 0.004(2) 0.005(2) 0.001(2) C32 0.093(5) 0.034(4) 0.032(4) 0.000(3) 0.000(4) -0.023(3) C33 0.121(7) 0.042(4) 0.029(4) -0.004(3) -0.001(4) -0.021(4) C34 0.070(4) 0.028(3) 0.038(4) -0.016(3) -0.001(3) 0.003(3) C35 0.068(5) 0.035(4) 0.052(5) -0.011(3) 0.022(4) -0.011(3) C36 0.092(5) 0.029(4) 0.025(4) -0.005(3) 0.018(4) -0.009(3) C41 0.017(3) 0.028(3) 0.013(3) 0.001(2) -0.001(2) -0.001(2) C42 0.023(3) 0.026(3) 0.010(2) 0.001(2) -0.003(2) 0.000(2) C43 0.036(3) 0.028(3) 0.019(3) -0.001(2) 0.002(3) 0.010(3) C44 0.042(3) 0.029(3) 0.021(3) 0.009(2) 0.002(3) 0.008(3) C45 0.036(3) 0.037(3) 0.014(3) 0.002(2) 0.000(3) 0.000(3) C46 0.029(3) 0.023(3) 0.020(3) -0.005(3) 0.000(2) 0.008(2) N2 0.034(3) 0.022(2) 0.019(2) -0.0007(18) 0.000(2) 0.000(2) C52 0.038(4) 0.067(5) 0.031(4) -0.016(3) -0.007(3) 0.020(3) C53 0.072(5) 0.068(5) 0.024(4) -0.019(3) 0.000(3) 0.040(4) C54 0.103(6) 0.040(4) 0.025(4) -0.015(3) 0.016(4) -0.016(4) C55 0.073(5) 0.117(7) 0.038(4) -0.045(4) 0.028(4) -0.061(5) C56 0.047(4) 0.090(5) 0.035(4) -0.030(4) 0.016(3) -0.022(4) C61 0.024(3) 0.027(3) 0.018(3) -0.002(2) 0.007(2) 0.001(2) C62 0.031(3) 0.044(4) 0.027(3) 0.000(3) 0.001(3) -0.012(3) C63 0.044(4) 0.056(4) 0.037(4) -0.007(3) 0.000(3) -0.022(4) C64 0.045(4) 0.047(4) 0.034(4) -0.001(3) 0.013(3) -0.019(4) C65 0.045(4) 0.036(3) 0.024(3) 0.007(3) 0.009(3) 0.001(3) C66 0.026(3) 0.029(3) 0.026(3) -0.003(3) 0.001(3) 0.002(3) C71 0.025(3) 0.031(3) 0.013(3) 0.002(2) -0.002(3) 0.003(2) C72 0.024(3) 0.040(4) 0.023(3) 0.004(2) 0.004(2) 0.007(2) C73 0.036(3) 0.032(3) 0.036(4) 0.004(3) 0.001(3) 0.013(3) C74 0.036(4) 0.050(4) 0.024(3) -0.004(3) 0.008(3) 0.022(3) C75 0.037(3) 0.045(4) 0.015(3) 0.004(3) 0.007(2) 0.015(3) C76 0.031(3) 0.034(3) 0.020(3) 0.009(2) 0.006(2) 0.007(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh1 C41 2.005(5) . ? Rh1 O2 2.151(3) . ? Rh1 O1 2.164(3) . ? Rh1 P2 2.2280(13) . ? Rh1 N2 2.302(4) . ? Rh1 Rh1 2.5587(7) 7_645 ? O1 C20 1.256(5) . ? N1 C2 1.319(12) . ? N1 C3 1.383(12) . ? P2 C42 1.812(5) 7_645 ? P2 C61 1.843(5) . ? P2 C71 1.850(5) . ? O2 C20 1.257(5) 7_645 ? C2 C2 1.388(19) 8_665 ? C3 C3 1.406(15) 8_665 ? C10 C11 1.537(7) . ? C10 C31 1.544(7) . ? C10 C21 1.553(7) . ? C10 C20 1.565(6) . ? C11 C12 1.386(8) . ? C11 C16 1.387(7) . ? C12 C13 1.400(8) . ? C13 C14 1.392(9) . ? C14 C15 1.379(9) . ? C15 C16 1.379(8) . ? C20 O2 1.257(5) 7_645 ? C21 C26 1.384(8) . ? C21 C22 1.398(7) . ? C22 C23 1.392(8) . ? C23 C24 1.357(8) . ? C24 C25 1.380(8) . ? C25 C26 1.386(8) . ? C31 C32 1.388(8) . ? C31 C36 1.395(7) . ? C32 C33 1.389(8) . ? C33 C34 1.367(8) . ? C34 C35 1.385(8) . ? C35 C36 1.381(8) . ? C41 C42 1.393(6) . ? C41 C46 1.414(7) . ? C42 C43 1.398(6) . ? C42 P2 1.812(5) 7_645 ? C43 C44 1.383(7) . ? C44 C45 1.381(7) . ? C45 C46 1.377(7) . ? N2 C56 1.315(7) . ? N2 C52 1.319(7) . ? C52 C53 1.392(8) . ? C53 C54 1.333(9) . ? C54 C55 1.350(9) . ? C55 C56 1.382(8) . ? C61 C62 1.379(7) . ? C61 C66 1.398(7) . ? C62 C63 1.370(8) . ? C63 C64 1.379(8) . ? C64 C65 1.375(8) . ? C65 C66 1.384(7) . ? C71 C76 1.394(7) . ? C71 C72 1.406(7) . ? C72 C73 1.366(7) . ? C73 C74 1.381(7) . ? C74 C75 1.381(8) . ? C75 C76 1.378(7) . ? 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 C41 Rh1 O2 88.08(15) . . ? C41 Rh1 O1 173.61(16) . . ? O2 Rh1 O1 85.65(12) . . ? C41 Rh1 P2 96.00(13) . . ? O2 Rh1 P2 171.46(9) . . ? O1 Rh1 P2 90.37(9) . . ? C41 Rh1 N2 96.51(17) . . ? O2 Rh1 N2 82.68(14) . . ? O1 Rh1 N2 81.51(12) . . ? P2 Rh1 N2 104.23(12) . . ? C41 Rh1 Rh1 94.66(14) . 7_645 ? O2 Rh1 Rh1 83.67(8) . 7_645 ? O1 Rh1 Rh1 85.84(8) . 7_645 ? P2 Rh1 Rh1 88.52(3) . 7_645 ? N2 Rh1 Rh1 162.02(11) . 7_645 ? C20 O1 Rh1 118.6(3) . . ? C2 N1 C3 115.4(9) . . ? C42 P2 C61 105.0(2) 7_645 . ? C42 P2 C71 104.2(2) 7_645 . ? C61 P2 C71 99.6(2) . . ? C42 P2 Rh1 109.07(15) 7_645 . ? C61 P2 Rh1 122.61(17) . . ? C71 P2 Rh1 114.47(16) . . ? C20 O2 Rh1 122.2(3) 7_645 . ? N1 C2 C2 123.4(6) . 8_665 ? N1 C3 C3 121.2(5) . 8_665 ? C11 C10 C31 108.1(4) . . ? C11 C10 C21 111.3(4) . . ? C31 C10 C21 110.7(4) . . ? C11 C10 C20 109.9(4) . . ? C31 C10 C20 112.9(4) . . ? C21 C10 C20 103.9(4) . . ? C12 C11 C16 117.4(5) . . ? C12 C11 C10 118.9(5) . . ? C16 C11 C10 123.6(5) . . ? C11 C12 C13 121.8(6) . . ? C14 C13 C12 119.7(6) . . ? C15 C14 C13 118.3(6) . . ? C16 C15 C14 121.6(6) . . ? C15 C16 C11 121.3(6) . . ? O1 C20 O2 125.2(4) . 7_645 ? O1 C20 C10 117.0(4) . . ? O2 C20 C10 117.6(4) 7_645 . ? C26 C21 C22 118.5(5) . . ? C26 C21 C10 119.1(4) . . ? C22 C21 C10 122.4(5) . . ? C23 C22 C21 118.8(6) . . ? C24 C23 C22 122.2(6) . . ? C23 C24 C25 119.5(6) . . ? C24 C25 C26 119.3(6) . . ? C21 C26 C25 121.7(5) . . ? C32 C31 C36 116.2(5) . . ? C32 C31 C10 125.4(5) . . ? C36 C31 C10 118.3(5) . . ? C31 C32 C33 121.4(6) . . ? C34 C33 C32 121.2(6) . . ? C33 C34 C35 118.8(6) . . ? C36 C35 C34 119.8(6) . . ? C35 C36 C31 122.6(6) . . ? C42 C41 C46 116.3(4) . . ? C42 C41 Rh1 123.5(3) . . ? C46 C41 Rh1 119.9(4) . . ? C41 C42 C43 121.2(4) . . ? C41 C42 P2 117.6(3) . 7_645 ? C43 C42 P2 121.2(4) . 7_645 ? C44 C43 C42 121.3(5) . . ? C45 C44 C43 118.4(5) . . ? C46 C45 C44 120.8(5) . . ? C45 C46 C41 122.2(5) . . ? C56 N2 C52 115.2(5) . . ? C56 N2 Rh1 119.7(4) . . ? C52 N2 Rh1 124.3(4) . . ? N2 C52 C53 123.3(6) . . ? C54 C53 C52 119.8(6) . . ? C53 C54 C55 118.4(6) . . ? C54 C55 C56 118.5(6) . . ? N2 C56 C55 124.8(6) . . ? C62 C61 C66 118.7(5) . . ? C62 C61 P2 121.7(4) . . ? C66 C61 P2 119.3(4) . . ? C63 C62 C61 120.7(6) . . ? C62 C63 C64 120.9(6) . . ? C65 C64 C63 119.1(6) . . ? C64 C65 C66 120.6(5) . . ? C65 C66 C61 119.9(5) . . ? C76 C71 C72 117.8(5) . . ? C76 C71 P2 123.6(4) . . ? C72 C71 P2 118.5(4) . . ? C73 C72 C71 120.1(5) . . ? C72 C73 C74 121.8(5) . . ? C75 C74 C73 118.6(5) . . ? C76 C75 C74 120.5(5) . . ? C75 C76 C71 121.1(5) . . ? _diffrn_measured_fraction_theta_max 0.988 _diffrn_reflns_theta_full 23.35 _diffrn_measured_fraction_theta_full 0.988 _refine_diff_density_max 0.483 _refine_diff_density_min -0.798 _refine_diff_density_rms 0.065