# Copyright The Royal Society of Chemistry, 1998 data_muf _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety trans-[Rh(C23H18PO2Fe){P(C6H11)3}(CO)] _chemical_formula_sum 'C42 H51 Fe O3 P2 Rh' _chemical_formula_weight 824.53 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' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Rh' 'Rh' -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.9011(12) _cell_length_b 12.875(5) _cell_length_c 15.4270(18) _cell_angle_alpha 96.690(11) _cell_angle_beta 101.283(10) _cell_angle_gamma 94.459(12) _cell_volume 1905.2(8) _cell_formula_units_Z 2 _cell_measurement_temperature 150.0(1) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 12 _cell_measurement_theta_max 14 _exptl_crystal_description prism _exptl_crystal_colour yellow _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.437 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 856 _exptl_absorpt_coefficient_mu 0.936 _exptl_absorpt_correction_type 'not corrected' _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150.0(1) _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 'CAD4-MACHII' _diffrn_measurement_method 'theta-2theta' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time '1 h' _diffrn_standards_decay_% 4.7 _diffrn_reflns_number 5963 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0182 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.36 _diffrn_reflns_theta_max 23.98 _reflns_number_total 5963 _reflns_number_gt 5377 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CAD4-PC (Enraf-Nonius)' _computing_cell_refinement 'CAD4-PC (Enraf-Nonius)' _computing_data_reduction ? _computing_structure_solution 'SIR-92 (Giacovazzo, 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^)+(0.0702P)^2^+2.4986P] 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 'freely refined' _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5963 _refine_ls_number_parameters 646 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0391 _refine_ls_R_factor_gt 0.0345 _refine_ls_wR_factor_ref 0.1009 _refine_ls_wR_factor_gt 0.0967 _refine_ls_goodness_of_fit_ref 1.027 _refine_ls_restrained_S_all 1.027 _refine_ls_shift/su_max 0.001 _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_symetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh Rh 0.66686(2) 0.618609(17) 0.768231(15) 0.01787(11) Uani 1 1 d . . . Fe Fe 0.29155(4) 0.43416(3) 0.65578(3) 0.01983(13) Uani 1 1 d . . . P1 P 0.61005(8) 0.44261(6) 0.78175(5) 0.01765(18) Uani 1 1 d . . . P2 P 0.74463(8) 0.79700(6) 0.77867(5) 0.01937(18) Uani 1 1 d . . . O1 O 0.2707(2) 0.72654(17) 0.75435(15) 0.0280(5) Uani 1 1 d . . . O2 O 0.4764(2) 0.66768(16) 0.78035(14) 0.0229(5) Uani 1 1 d . . . O3 O 0.9466(2) 0.56254(19) 0.75782(17) 0.0339(6) Uani 1 1 d . . . C01 C 0.4327(3) 0.3846(2) 0.7510(2) 0.0216(7) Uani 1 1 d . . . C02 C 0.3228(3) 0.4236(3) 0.7881(2) 0.0241(7) Uani 1 1 d . . . H02 H 0.338(4) 0.483(3) 0.834(3) 0.029(9) Uiso 1 1 d . . . C03 C 0.1973(4) 0.3628(3) 0.7441(2) 0.0303(8) Uani 1 1 d . . . H03 H 0.109(4) 0.376(3) 0.753(2) 0.025(9) Uiso 1 1 d . . . C04 C 0.2294(4) 0.2852(3) 0.6789(3) 0.0293(8) Uani 1 1 d . . . H04 H 0.175(5) 0.237(4) 0.641(3) 0.045(12) Uiso 1 1 d . . . C05 C 0.3746(4) 0.2985(2) 0.6832(2) 0.0258(7) Uani 1 1 d . . . H05 H 0.425(4) 0.259(3) 0.648(2) 0.021(9) Uiso 1 1 d . . . C06 C 0.3124(3) 0.5909(2) 0.6503(2) 0.0218(7) Uani 1 1 d . . . C07 C 0.1717(4) 0.5477(2) 0.6130(2) 0.0240(7) Uani 1 1 d . . . H07 H 0.097(4) 0.560(3) 0.630(2) 0.023(9) Uiso 1 1 d . . . C08 C 0.1721(4) 0.4694(3) 0.5405(2) 0.0271(7) Uani 1 1 d . . . H08 H 0.099(4) 0.424(3) 0.505(2) 0.024(9) Uiso 1 1 d . . . C09 C 0.3115(4) 0.4640(3) 0.5312(2) 0.0264(7) Uani 1 1 d . . . H09 H 0.344(4) 0.417(3) 0.488(2) 0.025(9) Uiso 1 1 d . . . C10 C 0.3974(4) 0.5391(2) 0.5987(2) 0.0225(7) Uani 1 1 d . . . H10 H 0.491(3) 0.550(2) 0.609(2) 0.010(7) Uiso 1 1 d . . . C11 C 0.3550(3) 0.6676(2) 0.7339(2) 0.0220(7) Uani 1 1 d . . . C12 C 0.6659(3) 0.4147(2) 0.8955(2) 0.0217(7) Uani 1 1 d . . . C13 C 0.7821(4) 0.4720(3) 0.9496(2) 0.0296(8) Uani 1 1 d . . . H13 H 0.821(4) 0.526(3) 0.932(3) 0.041(11) Uiso 1 1 d . . . C14 C 0.8341(4) 0.4476(3) 1.0337(2) 0.0348(8) Uani 1 1 d . . . H14 H 0.905(5) 0.487(3) 1.063(3) 0.042(12) Uiso 1 1 d . . . C15 C 0.7688(4) 0.3667(3) 1.0657(2) 0.0350(9) Uani 1 1 d . . . H15 H 0.798(4) 0.356(3) 1.117(3) 0.037(11) Uiso 1 1 d . . . C16 C 0.6517(4) 0.3105(4) 1.0140(3) 0.0437(10) Uani 1 1 d . . . H16 H 0.608(5) 0.249(4) 1.038(3) 0.057(13) Uiso 1 1 d . . . C17 C 0.5995(4) 0.3340(3) 0.9285(3) 0.0355(8) Uani 1 1 d . . . H17 H 0.520(4) 0.299(3) 0.898(3) 0.029(10) Uiso 1 1 d . . . C18 C 0.6985(3) 0.3518(2) 0.7167(2) 0.0201(6) Uani 1 1 d . . . C19 C 0.6892(4) 0.3606(3) 0.6272(2) 0.0337(8) Uani 1 1 d . . . H19 H 0.635(4) 0.413(3) 0.599(3) 0.038(11) Uiso 1 1 d . . . C20 C 0.7566(4) 0.2949(3) 0.5757(3) 0.0386(9) Uani 1 1 d . . . H20 H 0.748(5) 0.304(4) 0.514(3) 0.060(14) Uiso 1 1 d . . . C21 C 0.8332(4) 0.2214(3) 0.6131(3) 0.0323(8) Uani 1 1 d . . . H21 H 0.885(5) 0.185(4) 0.580(3) 0.062(14) Uiso 1 1 d . . . C22 C 0.8447(4) 0.2135(3) 0.7019(3) 0.0317(8) Uani 1 1 d . . . H22 H 0.902(4) 0.168(3) 0.732(3) 0.036(10) Uiso 1 1 d . . . C23 C 0.7769(4) 0.2780(3) 0.7541(2) 0.0264(7) Uani 1 1 d . . . H23 H 0.793(4) 0.277(3) 0.814(3) 0.037(11) Uiso 1 1 d . . . C24 C 0.8375(3) 0.5851(2) 0.7623(2) 0.0228(7) Uani 1 1 d . . . C25 C 0.6025(3) 0.8779(2) 0.7434(2) 0.0254(7) Uani 1 1 d . . . H25 H 0.535(4) 0.843(3) 0.768(2) 0.020(8) Uiso 1 1 d . . . C26 C 0.5504(4) 0.8616(3) 0.6425(2) 0.0297(8) Uani 1 1 d . . . H26A H 0.622(4) 0.899(3) 0.617(2) 0.023(9) Uiso 1 1 d . . . H26B H 0.534(4) 0.786(3) 0.624(2) 0.025(9) Uiso 1 1 d . . . C27 C 0.4161(4) 0.9109(3) 0.6172(3) 0.0383(9) Uani 1 1 d . . . H27A H 0.385(5) 0.903(4) 0.547(4) 0.068(15) Uiso 1 1 d . . . H27B H 0.345(5) 0.872(4) 0.647(3) 0.052(13) Uiso 1 1 d . . . C28 C 0.4339(5) 1.0272(3) 0.6535(3) 0.0420(10) Uani 1 1 d . . . H28A H 0.493(4) 1.064(3) 0.623(2) 0.027(9) Uiso 1 1 d . . . H28B H 0.359(5) 1.048(4) 0.640(3) 0.049(13) Uiso 1 1 d . . . C29 C 0.4861(4) 1.0441(3) 0.7535(3) 0.0417(10) Uani 1 1 d . . . H29A H 0.411(5) 1.011(3) 0.779(3) 0.045(11) Uiso 1 1 d . . . H29B H 0.493(5) 1.116(4) 0.772(3) 0.059(14) Uiso 1 1 d . . . C30 C 0.6211(4) 0.9960(3) 0.7804(3) 0.0344(8) Uani 1 1 d . . . H30A H 0.655(4) 1.004(3) 0.849(3) 0.025(9) Uiso 1 1 d . . . H30B H 0.706(5) 1.035(4) 0.759(3) 0.048(12) Uiso 1 1 d . . . C31 C 0.8921(3) 0.8274(2) 0.7252(2) 0.0213(7) Uani 1 1 d . . . H31 H 0.969(4) 0.799(3) 0.760(3) 0.031(10) Uiso 1 1 d . . . C32 C 0.8690(4) 0.7750(3) 0.6279(2) 0.0246(7) Uani 1 1 d . . . H32A H 0.845(3) 0.700(3) 0.626(2) 0.020(8) Uiso 1 1 d . . . H32B H 0.791(4) 0.805(3) 0.592(3) 0.034(10) Uiso 1 1 d . . . C33 C 0.9970(4) 0.7960(3) 0.5889(2) 0.0276(7) Uani 1 1 d . . . H33A H 1.065(4) 0.768(3) 0.625(3) 0.029(10) Uiso 1 1 d . . . H33B H 0.976(4) 0.763(3) 0.526(3) 0.033(10) Uiso 1 1 d . . . C34 C 1.0392(4) 0.9129(3) 0.5964(2) 0.0310(8) Uani 1 1 d . . . H34A H 0.962(4) 0.948(3) 0.564(3) 0.038(10) Uiso 1 1 d . . . H34B H 1.114(4) 0.925(3) 0.574(3) 0.034(10) Uiso 1 1 d . . . C35 C 1.0677(4) 0.9628(3) 0.6934(3) 0.0336(9) Uani 1 1 d . . . H35A H 1.144(4) 0.934(3) 0.732(2) 0.019(8) Uiso 1 1 d . . . H35B H 1.089(4) 1.026(3) 0.699(3) 0.030(10) Uiso 1 1 d . . . C36 C 0.9389(4) 0.9452(3) 0.7327(3) 0.0317(8) Uani 1 1 d . . . H36A H 0.863(4) 0.980(3) 0.697(3) 0.029(9) Uiso 1 1 d . . . H36B H 0.970(4) 0.978(3) 0.798(3) 0.034(10) Uiso 1 1 d . . . C37 C 0.8112(4) 0.8457(3) 0.8987(2) 0.0268(7) Uani 1 1 d . . . H37 H 0.828(4) 0.923(3) 0.905(3) 0.035(10) Uiso 1 1 d . . . C38 C 0.9427(4) 0.7990(3) 0.9370(2) 0.0363(9) Uani 1 1 d . . . H38A H 1.023(3) 0.813(2) 0.904(2) 0.014(8) Uiso 1 1 d . . . H38B H 0.927(4) 0.730(4) 0.928(3) 0.041(11) Uiso 1 1 d . . . C39 C 0.9897(5) 0.8344(4) 1.0371(3) 0.0484(11) Uani 1 1 d . . . H39A H 1.068(5) 0.809(4) 1.059(3) 0.056(15) Uiso 1 1 d . . . H39B H 1.016(4) 0.910(4) 1.048(3) 0.044(11) Uiso 1 1 d . . . C40 C 0.8765(6) 0.8102(4) 1.0872(3) 0.0605(14) Uani 1 1 d . . . H40A H 0.846(5) 0.735(4) 1.081(3) 0.063(14) Uiso 1 1 d . . . H40B H 0.908(5) 0.836(4) 1.156(3) 0.061(14) Uiso 1 1 d . . . C41 C 0.7477(6) 0.8597(4) 1.0506(3) 0.0566(13) Uani 1 1 d . . . H41A H 0.769(5) 0.935(4) 1.061(3) 0.046(12) Uiso 1 1 d . . . H41B H 0.673(5) 0.842(4) 1.073(3) 0.053(13) Uiso 1 1 d . . . C42 C 0.6962(5) 0.8227(3) 0.9506(3) 0.0406(10) Uani 1 1 d . . . H42A H 0.612(5) 0.861(4) 0.930(3) 0.054(13) Uiso 1 1 d . . . H42B H 0.667(4) 0.745(4) 0.942(3) 0.045(12) 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 Rh 0.02385(16) 0.01230(15) 0.01867(15) 0.00017(10) 0.00909(10) 0.00013(10) Fe 0.0242(3) 0.0146(2) 0.0216(2) 0.00167(18) 0.00748(19) 0.00121(18) P1 0.0232(4) 0.0133(4) 0.0178(4) 0.0014(3) 0.0081(3) 0.0011(3) P2 0.0260(4) 0.0126(4) 0.0206(4) -0.0004(3) 0.0104(3) -0.0009(3) O1 0.0331(13) 0.0248(12) 0.0299(13) 0.0018(10) 0.0139(10) 0.0100(10) O2 0.0270(12) 0.0176(11) 0.0244(11) -0.0010(9) 0.0093(9) -0.0003(9) O3 0.0298(14) 0.0313(13) 0.0450(15) 0.0052(11) 0.0172(11) 0.0064(11) C01 0.0290(17) 0.0149(15) 0.0215(16) 0.0040(12) 0.0072(13) -0.0008(12) C02 0.0291(17) 0.0230(17) 0.0229(17) 0.0055(14) 0.0113(13) 0.0001(14) C03 0.0282(18) 0.0299(18) 0.038(2) 0.0147(15) 0.0139(15) 0.0026(15) C04 0.0277(18) 0.0195(17) 0.037(2) 0.0067(15) 0.0002(15) -0.0049(14) C05 0.0327(18) 0.0142(15) 0.0302(18) 0.0016(13) 0.0063(15) 0.0032(14) C06 0.0303(17) 0.0144(15) 0.0236(16) 0.0067(12) 0.0093(13) 0.0041(13) C07 0.0264(18) 0.0203(16) 0.0278(17) 0.0067(13) 0.0081(14) 0.0064(14) C08 0.0299(18) 0.0255(17) 0.0243(17) 0.0029(14) 0.0008(14) 0.0050(15) C09 0.0376(19) 0.0233(17) 0.0196(16) 0.0017(13) 0.0083(14) 0.0063(14) C10 0.0295(19) 0.0195(16) 0.0216(16) 0.0067(13) 0.0108(14) 0.0025(13) C11 0.0296(18) 0.0147(15) 0.0257(17) 0.0066(13) 0.0137(14) 0.0018(13) C12 0.0264(16) 0.0216(16) 0.0199(15) 0.0013(12) 0.0107(13) 0.0068(13) C13 0.0354(19) 0.0253(18) 0.0282(18) 0.0051(14) 0.0080(15) -0.0019(15) C14 0.039(2) 0.038(2) 0.0260(19) 0.0018(16) 0.0040(16) 0.0039(17) C15 0.041(2) 0.052(2) 0.0178(18) 0.0101(16) 0.0114(16) 0.0165(18) C16 0.047(2) 0.057(3) 0.034(2) 0.0231(19) 0.0174(18) -0.001(2) C17 0.036(2) 0.042(2) 0.0290(19) 0.0111(16) 0.0074(16) -0.0063(17) C18 0.0249(16) 0.0140(14) 0.0229(16) 0.0009(12) 0.0092(13) 0.0013(12) C19 0.050(2) 0.0299(19) 0.0256(18) 0.0056(15) 0.0141(16) 0.0144(17) C20 0.062(3) 0.036(2) 0.0242(19) 0.0014(16) 0.0217(18) 0.0124(19) C21 0.039(2) 0.0232(17) 0.039(2) -0.0026(15) 0.0220(17) 0.0038(15) C22 0.0358(19) 0.0222(17) 0.041(2) 0.0061(15) 0.0136(16) 0.0101(15) C23 0.0353(19) 0.0235(17) 0.0233(18) 0.0050(14) 0.0116(14) 0.0046(14) C24 0.0322(19) 0.0142(15) 0.0212(16) 0.0021(12) 0.0061(13) -0.0040(13) C25 0.0291(17) 0.0124(15) 0.0369(19) 0.0007(13) 0.0139(15) 0.0022(13) C26 0.036(2) 0.0203(18) 0.0342(19) 0.0036(15) 0.0095(16) 0.0068(15) C27 0.038(2) 0.0269(19) 0.050(2) 0.0039(17) 0.0068(18) 0.0055(16) C28 0.035(2) 0.025(2) 0.069(3) 0.0121(19) 0.013(2) 0.0109(17) C29 0.043(2) 0.0168(18) 0.068(3) -0.0018(18) 0.022(2) 0.0047(16) C30 0.039(2) 0.0162(17) 0.048(2) -0.0042(15) 0.0163(18) 0.0000(15) C31 0.0282(17) 0.0151(15) 0.0229(16) 0.0022(12) 0.0119(14) -0.0003(13) C32 0.0314(18) 0.0222(17) 0.0219(17) 0.0022(13) 0.0109(14) 0.0008(14) C33 0.0337(19) 0.0285(18) 0.0238(18) 0.0022(15) 0.0140(15) 0.0045(15) C34 0.0338(19) 0.0312(19) 0.036(2) 0.0127(16) 0.0222(17) 0.0046(16) C35 0.037(2) 0.0191(19) 0.049(2) 0.0024(16) 0.0242(18) -0.0058(16) C36 0.041(2) 0.0198(17) 0.039(2) -0.0007(15) 0.0243(18) -0.0020(15) C37 0.0382(19) 0.0189(17) 0.0218(17) -0.0043(13) 0.0104(14) -0.0070(14) C38 0.050(2) 0.031(2) 0.0234(19) -0.0006(15) 0.0020(17) -0.0041(17) C39 0.064(3) 0.046(3) 0.027(2) 0.0016(18) -0.003(2) -0.009(2) C40 0.095(4) 0.055(3) 0.022(2) -0.0007(19) 0.009(2) -0.027(3) C41 0.075(3) 0.061(3) 0.031(2) -0.013(2) 0.030(2) -0.027(3) C42 0.054(3) 0.041(2) 0.027(2) -0.0066(17) 0.0218(18) -0.012(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh C24 1.793(3) . ? Rh O2 2.071(2) . ? Rh P1 2.3350(12) . ? Rh P2 2.3418(12) . ? Fe C01 2.017(3) . ? Fe C06 2.026(3) . ? Fe C02 2.026(3) . ? Fe C10 2.029(3) . ? Fe C05 2.040(3) . ? Fe C07 2.042(3) . ? Fe C09 2.047(3) . ? Fe C08 2.053(3) . ? Fe C03 2.057(3) . ? Fe C04 2.060(3) . ? P1 C01 1.804(3) . ? P1 C12 1.820(3) . ? P1 C18 1.835(3) . ? P2 C31 1.850(3) . ? P2 C25 1.850(3) . ? P2 C37 1.855(3) . ? O1 C11 1.232(4) . ? O2 C11 1.273(4) . ? O3 C24 1.153(4) . ? C01 C02 1.423(5) . ? C01 C05 1.432(4) . ? C02 C03 1.418(5) . ? C03 C04 1.432(5) . ? C04 C05 1.422(5) . ? C06 C10 1.418(5) . ? C06 C07 1.439(5) . ? C06 C11 1.498(4) . ? C07 C08 1.417(5) . ? C08 C09 1.421(5) . ? C09 C10 1.425(5) . ? C12 C13 1.384(5) . ? C12 C17 1.385(5) . ? C13 C14 1.379(5) . ? C14 C15 1.375(6) . ? C15 C16 1.370(6) . ? C16 C17 1.396(5) . ? C18 C23 1.381(5) . ? C18 C19 1.384(5) . ? C19 C20 1.390(5) . ? C20 C21 1.368(6) . ? C21 C22 1.368(5) . ? C22 C23 1.390(5) . ? C25 C26 1.524(5) . ? C25 C30 1.544(4) . ? C26 C27 1.520(5) . ? C27 C28 1.520(5) . ? C28 C29 1.512(7) . ? C29 C30 1.521(6) . ? C31 C36 1.536(4) . ? C31 C32 1.538(4) . ? C32 C33 1.524(5) . ? C33 C34 1.516(5) . ? C34 C35 1.522(5) . ? C35 C36 1.527(5) . ? C37 C38 1.519(5) . ? C37 C42 1.545(5) . ? C38 C39 1.528(5) . ? C39 C40 1.513(7) . ? C40 C41 1.510(8) . ? C41 C42 1.533(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 C24 Rh O2 175.83(11) . . ? C24 Rh P1 87.35(10) . . ? O2 Rh P1 95.99(6) . . ? C24 Rh P2 89.83(10) . . ? O2 Rh P2 86.48(6) . . ? P1 Rh P2 170.60(3) . . ? C01 Fe C06 114.88(13) . . ? C01 Fe C02 41.22(13) . . ? C06 Fe C02 103.93(13) . . ? C01 Fe C10 106.22(13) . . ? C06 Fe C10 40.96(13) . . ? C02 Fe C10 125.37(14) . . ? C01 Fe C05 41.32(13) . . ? C06 Fe C05 150.88(14) . . ? C02 Fe C05 69.15(14) . . ? C10 Fe C05 118.95(14) . . ? C01 Fe C07 149.67(13) . . ? C06 Fe C07 41.45(13) . . ? C02 Fe C07 115.88(13) . . ? C10 Fe C07 68.71(14) . . ? C05 Fe C07 167.28(13) . . ? C01 Fe C09 128.37(13) . . ? C06 Fe C09 69.09(13) . . ? C02 Fe C09 165.00(14) . . ? C10 Fe C09 40.92(13) . . ? C05 Fe C09 110.10(14) . . ? C07 Fe C09 68.28(14) . . ? C01 Fe C08 167.57(13) . . ? C06 Fe C08 69.24(13) . . ? C02 Fe C08 150.98(14) . . ? C10 Fe C08 68.67(14) . . ? C05 Fe C08 130.20(14) . . ? C07 Fe C08 40.49(13) . . ? C09 Fe C08 40.56(14) . . ? C01 Fe C03 68.92(14) . . ? C06 Fe C03 125.21(14) . . ? C02 Fe C03 40.65(14) . . ? C10 Fe C03 163.28(14) . . ? C05 Fe C03 68.67(14) . . ? C07 Fe C03 106.94(14) . . ? C09 Fe C03 154.08(15) . . ? C08 Fe C03 119.23(14) . . ? C01 Fe C04 68.85(13) . . ? C06 Fe C04 164.77(14) . . ? C02 Fe C04 68.58(14) . . ? C10 Fe C04 154.10(14) . . ? C05 Fe C04 40.57(14) . . ? C07 Fe C04 128.55(14) . . ? C09 Fe C04 121.26(14) . . ? C08 Fe C04 110.47(14) . . ? C03 Fe C04 40.71(15) . . ? C01 P1 C12 103.48(14) . . ? C01 P1 C18 102.45(14) . . ? C12 P1 C18 103.47(14) . . ? C01 P1 Rh 120.70(10) . . ? C12 P1 Rh 112.01(11) . . ? C18 P1 Rh 112.89(10) . . ? C31 P2 C25 110.89(15) . . ? C31 P2 C37 104.46(15) . . ? C25 P2 C37 104.75(16) . . ? C31 P2 Rh 115.96(10) . . ? C25 P2 Rh 112.57(11) . . ? C37 P2 Rh 107.17(11) . . ? C11 O2 Rh 140.1(2) . . ? C02 C01 C05 107.8(3) . . ? C02 C01 P1 124.2(2) . . ? C05 C01 P1 127.8(2) . . ? C02 C01 Fe 69.71(18) . . ? C05 C01 Fe 70.20(18) . . ? P1 C01 Fe 122.47(16) . . ? C03 C02 C01 108.5(3) . . ? C03 C02 Fe 70.85(19) . . ? C01 C02 Fe 69.08(18) . . ? C02 C03 C04 107.7(3) . . ? C02 C03 Fe 68.50(18) . . ? C04 C03 Fe 69.8(2) . . ? C05 C04 C03 108.2(3) . . ? C05 C04 Fe 68.97(19) . . ? C03 C04 Fe 69.51(19) . . ? C04 C05 C01 107.8(3) . . ? C04 C05 Fe 70.47(19) . . ? C01 C05 Fe 68.47(18) . . ? C10 C06 C07 107.0(3) . . ? C10 C06 C11 128.7(3) . . ? C07 C06 C11 124.0(3) . . ? C10 C06 Fe 69.66(17) . . ? C07 C06 Fe 69.87(17) . . ? C11 C06 Fe 120.7(2) . . ? C08 C07 C06 108.5(3) . . ? C08 C07 Fe 70.21(19) . . ? C06 C07 Fe 68.68(17) . . ? C07 C08 C09 107.9(3) . . ? C07 C08 Fe 69.30(19) . . ? C09 C08 Fe 69.46(19) . . ? C08 C09 C10 108.0(3) . . ? C08 C09 Fe 69.98(19) . . ? C10 C09 Fe 68.88(18) . . ? C06 C10 C09 108.6(3) . . ? C06 C10 Fe 69.39(18) . . ? C09 C10 Fe 70.20(19) . . ? O1 C11 O2 123.6(3) . . ? O1 C11 C06 118.4(3) . . ? O2 C11 C06 118.0(3) . . ? C13 C12 C17 118.5(3) . . ? C13 C12 P1 119.4(2) . . ? C17 C12 P1 122.0(3) . . ? C14 C13 C12 121.1(3) . . ? C15 C14 C13 120.1(4) . . ? C16 C15 C14 119.8(4) . . ? C15 C16 C17 120.4(4) . . ? C12 C17 C16 120.1(4) . . ? C23 C18 C19 119.1(3) . . ? C23 C18 P1 122.7(2) . . ? C19 C18 P1 118.2(2) . . ? C18 C19 C20 120.2(3) . . ? C21 C20 C19 120.3(3) . . ? C22 C21 C20 119.8(3) . . ? C21 C22 C23 120.6(3) . . ? C18 C23 C22 120.0(3) . . ? O3 C24 Rh 179.2(3) . . ? C26 C25 C30 110.8(3) . . ? C26 C25 P2 112.2(2) . . ? C30 C25 P2 118.6(3) . . ? C27 C26 C25 110.8(3) . . ? C26 C27 C28 111.1(3) . . ? C29 C28 C27 110.9(3) . . ? C28 C29 C30 111.8(3) . . ? C29 C30 C25 110.0(3) . . ? C36 C31 C32 110.7(3) . . ? C36 C31 P2 114.3(2) . . ? C32 C31 P2 113.2(2) . . ? C33 C32 C31 111.2(3) . . ? C34 C33 C32 111.1(3) . . ? C33 C34 C35 110.4(3) . . ? C34 C35 C36 110.2(3) . . ? C35 C36 C31 110.9(3) . . ? C38 C37 C42 111.3(3) . . ? C38 C37 P2 112.6(2) . . ? C42 C37 P2 109.0(2) . . ? C37 C38 C39 111.5(4) . . ? C40 C39 C38 112.0(4) . . ? C41 C40 C39 110.8(4) . . ? C40 C41 C42 111.2(4) . . ? C41 C42 C37 110.8(3) . . ? _refine_diff_density_max 1.687 _refine_diff_density_min -0.788 _refine_diff_density_rms 0.087