# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_7 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C37 H64 B2 Fe N O3 P Pt Si2' _chemical_formula_sum 'C37 H64 B2 Fe N O3 P Pt Si2' _chemical_formula_weight 930.60 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' N N 0.0061 0.0033 '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' Si Si 0.0817 0.0704 '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' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 21.750(16) _cell_length_b 12.337(9) _cell_length_c 15.479(12) _cell_angle_alpha 90.00 _cell_angle_beta 94.824(15) _cell_angle_gamma 90.00 _cell_volume 4139(5) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description plate _exptl_crystal_colour red _exptl_crystal_size_max 0.33 _exptl_crystal_size_mid 0.31 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.493 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1896 _exptl_absorpt_coefficient_mu 3.858 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5480 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'Sadabs 2008/1 (Bruker 2008)' _exptl_special_details ; The crystal was immersed in a film of perfluoropolyether oil, mounted on a a glass fiber and transferred to stream of cold nitrogen. ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator 'multi-layer mirror' _diffrn_measurement_device_type 'Bruker X8-APEX II' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean 8.333 _diffrn_reflns_number 43855 _diffrn_reflns_av_R_equivalents 0.0517 _diffrn_reflns_av_sigmaI/netI 0.0451 _diffrn_reflns_limit_h_min -27 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 0.94 _diffrn_reflns_theta_max 26.78 _reflns_number_total 8727 _reflns_number_gt 7352 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2010.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.68A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.68A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0168P)^2^+2.7851P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8727 _refine_ls_number_parameters 443 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0370 _refine_ls_R_factor_gt 0.0267 _refine_ls_wR_factor_ref 0.0567 _refine_ls_wR_factor_gt 0.0531 _refine_ls_goodness_of_fit_ref 1.012 _refine_ls_restrained_S_all 1.012 _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 Pt1 Pt 0.236703(5) 0.009404(9) 0.320667(7) 0.01300(4) Uani 1 1 d . . . Fe1 Fe 0.231162(18) -0.08040(4) 0.47026(3) 0.01362(10) Uani 1 1 d . . . C1 C 0.29496(13) -0.0754(3) 0.54963(19) 0.0188(7) Uani 1 1 d . . . O2 O 0.33560(9) -0.0747(2) 0.60243(13) 0.0274(6) Uani 1 1 d . . . C3 C 0.17826(14) 0.0020(3) 0.52265(19) 0.0190(7) Uani 1 1 d . . . O4 O 0.14406(10) 0.0547(2) 0.55776(15) 0.0299(6) Uani 1 1 d . . . C5 C 0.21040(14) -0.2174(3) 0.48232(19) 0.0202(7) Uani 1 1 d . . . O6 O 0.19733(11) -0.3075(2) 0.48907(15) 0.0312(6) Uani 1 1 d . . . P10 P 0.25899(3) 0.09421(7) 0.19284(5) 0.01334(17) Uani 1 1 d . . . C11 C 0.27526(12) 0.2395(2) 0.20843(18) 0.0141(6) Uani 1 1 d . . . H11 H 0.2858 0.2710 0.1520 0.017 Uiso 1 1 calc R . . C12 C 0.21944(13) 0.3010(3) 0.23870(19) 0.0183(7) Uani 1 1 d . . . H12A H 0.1843 0.2945 0.1940 0.022 Uiso 1 1 calc R . . H12B H 0.2071 0.2676 0.2928 0.022 Uiso 1 1 calc R . . C13 C 0.23388(14) 0.4202(3) 0.2549(2) 0.0217(7) Uani 1 1 d . . . H13A H 0.1977 0.4559 0.2773 0.026 Uiso 1 1 calc R . . H13B H 0.2417 0.4554 0.1994 0.026 Uiso 1 1 calc R . . C14 C 0.28990(15) 0.4357(3) 0.3197(2) 0.0250(8) Uani 1 1 d . . . H14A H 0.2999 0.5139 0.3248 0.030 Uiso 1 1 calc R . . H14B H 0.2803 0.4092 0.3774 0.030 Uiso 1 1 calc R . . C15 C 0.34514(14) 0.3747(3) 0.2910(2) 0.0248(8) Uani 1 1 d . . . H15A H 0.3577 0.4071 0.2367 0.030 Uiso 1 1 calc R . . H15B H 0.3801 0.3820 0.3359 0.030 Uiso 1 1 calc R . . C16 C 0.33067(14) 0.2557(3) 0.2762(2) 0.0200(7) Uani 1 1 d . . . H16A H 0.3214 0.2220 0.3316 0.024 Uiso 1 1 calc R . . H16B H 0.3673 0.2189 0.2561 0.024 Uiso 1 1 calc R . . C21 C 0.32979(13) 0.0373(3) 0.15102(19) 0.0163(7) Uani 1 1 d . . . H21 H 0.3601 0.0274 0.2027 0.020 Uiso 1 1 calc R . . C22 C 0.36207(13) 0.1067(3) 0.0875(2) 0.0211(7) Uani 1 1 d . . . H22A H 0.3716 0.1786 0.1136 0.025 Uiso 1 1 calc R . . H22B H 0.3343 0.1177 0.0342 0.025 Uiso 1 1 calc R . . C23 C 0.42183(14) 0.0525(3) 0.0643(2) 0.0270(8) Uani 1 1 d . . . H23A H 0.4415 0.0980 0.0217 0.032 Uiso 1 1 calc R . . H23B H 0.4508 0.0466 0.1170 0.032 Uiso 1 1 calc R . . C24 C 0.40947(15) -0.0590(3) 0.0265(2) 0.0279(8) Uani 1 1 d . . . H24A H 0.4490 -0.0934 0.0146 0.034 Uiso 1 1 calc R . . H24B H 0.3837 -0.0526 -0.0291 0.034 Uiso 1 1 calc R . . C25 C 0.37664(14) -0.1300(3) 0.0884(2) 0.0299(8) Uani 1 1 d . . . H25A H 0.4044 -0.1434 0.1414 0.036 Uiso 1 1 calc R . . H25B H 0.3666 -0.2008 0.0606 0.036 Uiso 1 1 calc R . . C26 C 0.31749(14) -0.0761(3) 0.1131(2) 0.0261(8) Uani 1 1 d . . . H26A H 0.2985 -0.1217 0.1562 0.031 Uiso 1 1 calc R . . H26B H 0.2879 -0.0706 0.0610 0.031 Uiso 1 1 calc R . . C31 C 0.19671(12) 0.0831(3) 0.10373(18) 0.0155(7) Uani 1 1 d . . . H31 H 0.2028 0.0113 0.0757 0.019 Uiso 1 1 calc R . . C32 C 0.13239(13) 0.0786(3) 0.13771(19) 0.0187(7) Uani 1 1 d . . . H32A H 0.1314 0.0198 0.1811 0.022 Uiso 1 1 calc R . . H32B H 0.1241 0.1479 0.1668 0.022 Uiso 1 1 calc R . . C33 C 0.08208(14) 0.0586(3) 0.0639(2) 0.0259(8) Uani 1 1 d . . . H33A H 0.0877 -0.0143 0.0390 0.031 Uiso 1 1 calc R . . H33B H 0.0411 0.0606 0.0872 0.031 Uiso 1 1 calc R . . C34 C 0.08452(14) 0.1434(3) -0.0069(2) 0.0287(9) Uani 1 1 d . . . H34A H 0.0529 0.1266 -0.0548 0.034 Uiso 1 1 calc R . . H34B H 0.0750 0.2155 0.0167 0.034 Uiso 1 1 calc R . . C35 C 0.14774(14) 0.1464(3) -0.04164(19) 0.0278(8) Uani 1 1 d . . . H35A H 0.1487 0.2044 -0.0857 0.033 Uiso 1 1 calc R . . H35B H 0.1557 0.0765 -0.0700 0.033 Uiso 1 1 calc R . . C36 C 0.19812(13) 0.1674(3) 0.03165(19) 0.0210(7) Uani 1 1 d . . . H36A H 0.2390 0.1657 0.0079 0.025 Uiso 1 1 calc R . . H36B H 0.1923 0.2405 0.0561 0.025 Uiso 1 1 calc R . . B40 B 0.30237(15) -0.0417(3) 0.4099(2) 0.0153(7) Uani 1 1 d . . . C41 C 0.37235(13) -0.0343(3) 0.39782(18) 0.0147(6) Uani 1 1 d . . . C42 C 0.40169(13) -0.1197(3) 0.35586(18) 0.0168(7) Uani 1 1 d . . . C43 C 0.46339(13) -0.1084(3) 0.33743(19) 0.0204(7) Uani 1 1 d . . . C44 C 0.49409(14) -0.0130(3) 0.3601(2) 0.0223(8) Uani 1 1 d . . . H44 H 0.5350 -0.0039 0.3441 0.027 Uiso 1 1 calc R . . C45 C 0.46780(13) 0.0698(3) 0.40504(19) 0.0189(7) Uani 1 1 d . . . C46 C 0.40672(13) 0.0587(3) 0.42490(18) 0.0171(7) Uani 1 1 d . . . C47 C 0.37861(13) 0.1436(3) 0.47914(19) 0.0207(7) Uani 1 1 d . . . H47A H 0.3971 0.1390 0.5390 0.031 Uiso 1 1 calc R . . H47B H 0.3340 0.1316 0.4781 0.031 Uiso 1 1 calc R . . H47C H 0.3864 0.2156 0.4556 0.031 Uiso 1 1 calc R . . C48 C 0.36824(14) -0.2243(3) 0.3344(2) 0.0239(8) Uani 1 1 d . . . H48A H 0.3626 -0.2332 0.2713 0.036 Uiso 1 1 calc R . . H48B H 0.3278 -0.2228 0.3580 0.036 Uiso 1 1 calc R . . H48C H 0.3925 -0.2851 0.3598 0.036 Uiso 1 1 calc R . . C49 C 0.49669(15) -0.2004(3) 0.2968(2) 0.0317(9) Uani 1 1 d . . . H49A H 0.5364 -0.1745 0.2795 0.048 Uiso 1 1 calc R . . H49B H 0.4716 -0.2270 0.2456 0.048 Uiso 1 1 calc R . . H49C H 0.5036 -0.2594 0.3389 0.048 Uiso 1 1 calc R . . B50 B 0.17321(14) -0.0943(3) 0.3681(2) 0.0130(7) Uani 1 1 d . . . C50 C 0.50470(14) 0.1692(3) 0.4319(2) 0.0271(8) Uani 1 1 d . . . H50A H 0.4841 0.2336 0.4061 0.041 Uiso 1 1 calc R . . H50B H 0.5461 0.1632 0.4118 0.041 Uiso 1 1 calc R . . H50C H 0.5079 0.1756 0.4952 0.041 Uiso 1 1 calc R . . N51 N 0.11982(10) -0.1336(2) 0.32270(15) 0.0144(5) Uani 1 1 d . . . Si52 Si 0.04802(4) -0.07861(7) 0.34745(5) 0.01557(18) Uani 1 1 d . . . C53 C 0.02920(14) -0.1280(3) 0.4549(2) 0.0233(7) Uani 1 1 d . . . H53A H 0.0335 -0.2071 0.4573 0.035 Uiso 1 1 calc R . . H53B H -0.0134 -0.1081 0.4642 0.035 Uiso 1 1 calc R . . H53C H 0.0574 -0.0951 0.5002 0.035 Uiso 1 1 calc R . . C54 C -0.01530(13) -0.1227(3) 0.2665(2) 0.0253(8) Uani 1 1 d . . . H54A H -0.0086 -0.0921 0.2097 0.038 Uiso 1 1 calc R . . H54B H -0.0549 -0.0972 0.2845 0.038 Uiso 1 1 calc R . . H54C H -0.0157 -0.2020 0.2628 0.038 Uiso 1 1 calc R . . C55 C 0.05458(14) 0.0713(3) 0.3467(2) 0.0213(7) Uani 1 1 d . . . H55A H 0.0882 0.0939 0.3891 0.032 Uiso 1 1 calc R . . H55B H 0.0157 0.1034 0.3620 0.032 Uiso 1 1 calc R . . H55C H 0.0633 0.0957 0.2888 0.032 Uiso 1 1 calc R . . Si56 Si 0.12696(4) -0.25349(7) 0.26092(6) 0.01871(19) Uani 1 1 d . . . C57 C 0.20960(14) -0.2879(3) 0.2572(2) 0.0244(8) Uani 1 1 d . . . H57A H 0.2325 -0.2230 0.2423 0.037 Uiso 1 1 calc R . . H57B H 0.2139 -0.3439 0.2133 0.037 Uiso 1 1 calc R . . H57C H 0.2261 -0.3149 0.3140 0.037 Uiso 1 1 calc R . . C58 C 0.08659(14) -0.3649(3) 0.3148(2) 0.0276(8) Uani 1 1 d . . . H58A H 0.1045 -0.3729 0.3748 0.041 Uiso 1 1 calc R . . H58B H 0.0915 -0.4329 0.2834 0.041 Uiso 1 1 calc R . . H58C H 0.0426 -0.3475 0.3147 0.041 Uiso 1 1 calc R . . C59 C 0.09524(15) -0.2331(3) 0.1467(2) 0.0290(8) Uani 1 1 d . . . H59A H 0.0507 -0.2197 0.1451 0.044 Uiso 1 1 calc R . . H59B H 0.1028 -0.2981 0.1128 0.044 Uiso 1 1 calc R . . H59C H 0.1155 -0.1707 0.1221 0.044 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.01119(6) 0.01388(7) 0.01413(6) 0.00215(5) 0.00221(4) -0.00023(5) Fe1 0.0118(2) 0.0158(3) 0.0133(2) 0.00079(19) 0.00163(16) -0.00023(17) C1 0.0177(15) 0.0197(19) 0.0200(16) -0.0007(15) 0.0069(13) 0.0014(13) O2 0.0187(11) 0.0435(17) 0.0190(11) -0.0026(11) -0.0044(10) 0.0014(10) C3 0.0173(15) 0.025(2) 0.0141(14) 0.0003(15) -0.0014(12) -0.0043(14) O4 0.0213(12) 0.0403(16) 0.0283(13) -0.0147(13) 0.0032(10) 0.0054(11) C5 0.0195(16) 0.025(2) 0.0162(15) 0.0055(15) 0.0012(13) 0.0014(14) O6 0.0372(14) 0.0227(15) 0.0329(13) 0.0081(12) -0.0012(11) -0.0066(11) P10 0.0124(4) 0.0135(4) 0.0143(4) 0.0021(3) 0.0021(3) 0.0007(3) C11 0.0157(14) 0.0134(17) 0.0138(14) 0.0009(13) 0.0055(12) -0.0004(12) C12 0.0204(16) 0.0171(18) 0.0182(15) 0.0013(14) 0.0070(13) 0.0034(13) C13 0.0272(17) 0.0165(19) 0.0218(16) -0.0009(15) 0.0047(14) 0.0032(14) C14 0.0374(19) 0.0162(19) 0.0214(16) -0.0032(15) 0.0019(15) 0.0007(15) C15 0.0246(17) 0.023(2) 0.0264(17) 0.0001(16) -0.0022(14) -0.0012(14) C16 0.0216(16) 0.0160(18) 0.0220(16) -0.0004(14) -0.0008(13) 0.0028(13) C21 0.0126(14) 0.0187(18) 0.0180(15) 0.0040(14) 0.0039(12) 0.0035(12) C22 0.0185(15) 0.0185(19) 0.0279(17) 0.0051(15) 0.0112(13) 0.0021(13) C23 0.0195(16) 0.026(2) 0.038(2) 0.0071(18) 0.0152(15) 0.0040(14) C24 0.0232(17) 0.029(2) 0.0330(19) 0.0026(18) 0.0108(15) 0.0100(15) C25 0.0234(17) 0.016(2) 0.052(2) -0.0016(18) 0.0135(16) 0.0067(14) C26 0.0221(17) 0.0122(18) 0.046(2) -0.0012(17) 0.0138(15) 0.0015(13) C31 0.0144(14) 0.0179(18) 0.0139(14) -0.0018(13) 0.0001(12) 0.0041(12) C32 0.0164(15) 0.0211(19) 0.0186(15) 0.0028(14) 0.0028(12) 0.0023(13) C33 0.0153(15) 0.040(2) 0.0221(17) 0.0014(17) -0.0005(13) 0.0008(15) C34 0.0187(16) 0.046(2) 0.0209(16) 0.0052(17) -0.0033(14) 0.0091(15) C35 0.0263(18) 0.043(2) 0.0140(15) 0.0045(16) 0.0025(14) 0.0051(16) C36 0.0173(15) 0.030(2) 0.0164(15) 0.0071(15) 0.0057(13) 0.0019(14) B40 0.0163(16) 0.015(2) 0.0143(16) -0.0008(15) -0.0025(14) -0.0016(14) C41 0.0143(14) 0.0178(18) 0.0120(14) 0.0035(13) 0.0005(12) 0.0024(12) C42 0.0144(14) 0.0213(19) 0.0144(14) 0.0039(14) 0.0005(12) 0.0017(13) C43 0.0170(15) 0.029(2) 0.0154(15) 0.0033(15) 0.0027(12) 0.0057(14) C44 0.0128(14) 0.035(2) 0.0196(15) 0.0097(16) 0.0044(12) 0.0010(14) C45 0.0155(15) 0.024(2) 0.0160(15) 0.0076(15) -0.0039(12) -0.0029(13) C46 0.0184(15) 0.0180(18) 0.0147(14) 0.0055(14) 0.0006(12) -0.0002(13) C47 0.0199(16) 0.0210(19) 0.0206(16) 0.0005(15) -0.0016(13) -0.0040(13) C48 0.0176(16) 0.024(2) 0.0302(18) -0.0047(16) 0.0026(14) 0.0030(14) C49 0.0203(17) 0.044(2) 0.0316(19) -0.0050(18) 0.0060(15) 0.0110(16) B50 0.0123(15) 0.0114(19) 0.0161(16) 0.0011(15) 0.0059(13) 0.0045(13) C50 0.0203(16) 0.032(2) 0.0284(18) 0.0071(17) -0.0012(14) -0.0095(15) N51 0.0141(12) 0.0149(15) 0.0143(12) 0.0012(11) 0.0018(10) -0.0003(10) Si52 0.0126(4) 0.0168(5) 0.0173(4) 0.0006(4) 0.0010(3) 0.0008(3) C53 0.0202(16) 0.025(2) 0.0253(17) 0.0028(16) 0.0053(14) 0.0000(14) C54 0.0168(16) 0.027(2) 0.0314(18) -0.0018(16) -0.0017(14) 0.0019(14) C55 0.0228(16) 0.023(2) 0.0186(16) -0.0003(15) 0.0038(13) 0.0047(14) Si56 0.0166(4) 0.0146(5) 0.0247(5) -0.0039(4) 0.0003(4) -0.0020(3) C57 0.0241(17) 0.0144(19) 0.0356(19) -0.0086(16) 0.0076(15) 0.0021(13) C58 0.0220(17) 0.0174(19) 0.042(2) 0.0020(17) -0.0037(15) -0.0044(14) C59 0.0339(19) 0.029(2) 0.0240(17) -0.0105(17) -0.0002(15) -0.0014(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 Pt1 B40 2.004(3) . ? Pt1 B50 2.063(4) . ? Pt1 P10 2.3250(16) . ? Pt1 Fe1 2.5789(17) . ? Fe1 C5 1.764(4) . ? Fe1 C1 1.775(3) . ? Fe1 C3 1.781(3) . ? Fe1 B40 1.934(4) . ? Fe1 B50 1.945(3) . ? C1 O2 1.152(3) . ? C3 O4 1.157(4) . ? C5 O6 1.154(4) . ? P10 C11 1.839(3) . ? P10 C31 1.855(3) . ? P10 C21 1.858(3) . ? C11 C12 1.538(4) . ? C11 C16 1.542(4) . ? C11 H11 1.0000 . ? C12 C13 1.520(4) . ? C12 H12A 0.9900 . ? C12 H12B 0.9900 . ? C13 C14 1.523(4) . ? C13 H13A 0.9900 . ? C13 H13B 0.9900 . ? C14 C15 1.515(4) . ? C14 H14A 0.9900 . ? C14 H14B 0.9900 . ? C15 C16 1.515(4) . ? C15 H15A 0.9900 . ? C15 H15B 0.9900 . ? C16 H16A 0.9900 . ? C16 H16B 0.9900 . ? C21 C22 1.519(4) . ? C21 C26 1.532(4) . ? C21 H21 1.0000 . ? C22 C23 1.531(4) . ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? C23 C24 1.510(5) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C24 C25 1.520(5) . ? C24 H24A 0.9900 . ? C24 H24B 0.9900 . ? C25 C26 1.525(4) . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C26 H26A 0.9900 . ? C26 H26B 0.9900 . ? C31 C36 1.527(4) . ? C31 C32 1.536(4) . ? C31 H31 1.0000 . ? C32 C33 1.534(4) . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 C34 1.519(5) . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? C34 C35 1.519(4) . ? C34 H34A 0.9900 . ? C34 H34B 0.9900 . ? C35 C36 1.532(4) . ? C35 H35A 0.9900 . ? C35 H35B 0.9900 . ? C36 H36A 0.9900 . ? C36 H36B 0.9900 . ? B40 C41 1.552(4) . ? C41 C46 1.414(4) . ? C41 C42 1.417(4) . ? C42 C43 1.402(4) . ? C42 C48 1.505(4) . ? C43 C44 1.383(5) . ? C43 C49 1.512(5) . ? C44 C45 1.386(5) . ? C44 H44 0.9500 . ? C45 C46 1.395(4) . ? C45 C50 1.505(4) . ? C46 C47 1.505(4) . ? C47 H47A 0.9800 . ? C47 H47B 0.9800 . ? C47 H47C 0.9800 . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? B50 N51 1.393(4) . ? C50 H50A 0.9800 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? N51 Si52 1.774(3) . ? N51 Si56 1.775(3) . ? Si52 C53 1.849(3) . ? Si52 C55 1.855(4) . ? Si52 C54 1.863(3) . ? C53 H53A 0.9800 . ? C53 H53B 0.9800 . ? C53 H53C 0.9800 . ? C54 H54A 0.9800 . ? C54 H54B 0.9800 . ? C54 H54C 0.9800 . ? C55 H55A 0.9800 . ? C55 H55B 0.9800 . ? C55 H55C 0.9800 . ? Si56 C57 1.852(3) . ? Si56 C59 1.860(3) . ? Si56 C58 1.865(3) . ? C57 H57A 0.9800 . ? C57 H57B 0.9800 . ? C57 H57C 0.9800 . ? C58 H58A 0.9800 . ? C58 H58B 0.9800 . ? C58 H58C 0.9800 . ? C59 H59A 0.9800 . ? C59 H59B 0.9800 . ? C59 H59C 0.9800 . ? 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 B40 Pt1 B50 91.09(14) . . ? B40 Pt1 P10 122.75(11) . . ? B50 Pt1 P10 140.90(9) . . ? B40 Pt1 Fe1 47.94(11) . . ? B50 Pt1 Fe1 47.96(9) . . ? P10 Pt1 Fe1 170.49(2) . . ? C5 Fe1 C1 98.75(14) . . ? C5 Fe1 C3 108.54(15) . . ? C1 Fe1 C3 99.35(14) . . ? C5 Fe1 B40 120.68(15) . . ? C1 Fe1 B40 73.42(14) . . ? C3 Fe1 B40 130.77(15) . . ? C5 Fe1 B50 81.22(14) . . ? C1 Fe1 B50 168.81(14) . . ? C3 Fe1 B50 91.20(14) . . ? B40 Fe1 B50 96.88(15) . . ? C5 Fe1 Pt1 122.58(10) . . ? C1 Fe1 Pt1 120.91(11) . . ? C3 Fe1 Pt1 104.14(11) . . ? B40 Fe1 Pt1 50.26(10) . . ? B50 Fe1 Pt1 51.98(11) . . ? O2 C1 Fe1 178.0(3) . . ? O4 C3 Fe1 179.0(3) . . ? O6 C5 Fe1 178.9(3) . . ? C11 P10 C31 106.85(14) . . ? C11 P10 C21 104.96(14) . . ? C31 P10 C21 106.73(14) . . ? C11 P10 Pt1 112.24(10) . . ? C31 P10 Pt1 114.09(11) . . ? C21 P10 Pt1 111.38(10) . . ? C12 C11 C16 108.7(2) . . ? C12 C11 P10 111.9(2) . . ? C16 C11 P10 110.3(2) . . ? C12 C11 H11 108.6 . . ? C16 C11 H11 108.6 . . ? P10 C11 H11 108.6 . . ? C13 C12 C11 111.7(2) . . ? C13 C12 H12A 109.3 . . ? C11 C12 H12A 109.3 . . ? C13 C12 H12B 109.3 . . ? C11 C12 H12B 109.3 . . ? H12A C12 H12B 107.9 . . ? C12 C13 C14 111.9(3) . . ? C12 C13 H13A 109.2 . . ? C14 C13 H13A 109.2 . . ? C12 C13 H13B 109.2 . . ? C14 C13 H13B 109.2 . . ? H13A C13 H13B 107.9 . . ? C15 C14 C13 110.8(3) . . ? C15 C14 H14A 109.5 . . ? C13 C14 H14A 109.5 . . ? C15 C14 H14B 109.5 . . ? C13 C14 H14B 109.5 . . ? H14A C14 H14B 108.1 . . ? C16 C15 C14 111.5(3) . . ? C16 C15 H15A 109.3 . . ? C14 C15 H15A 109.3 . . ? C16 C15 H15B 109.3 . . ? C14 C15 H15B 109.3 . . ? H15A C15 H15B 108.0 . . ? C15 C16 C11 111.7(3) . . ? C15 C16 H16A 109.3 . . ? C11 C16 H16A 109.3 . . ? C15 C16 H16B 109.3 . . ? C11 C16 H16B 109.3 . . ? H16A C16 H16B 107.9 . . ? C22 C21 C26 110.0(3) . . ? C22 C21 P10 117.0(2) . . ? C26 C21 P10 110.8(2) . . ? C22 C21 H21 106.1 . . ? C26 C21 H21 106.1 . . ? P10 C21 H21 106.1 . . ? C21 C22 C23 110.7(3) . . ? C21 C22 H22A 109.5 . . ? C23 C22 H22A 109.5 . . ? C21 C22 H22B 109.5 . . ? C23 C22 H22B 109.5 . . ? H22A C22 H22B 108.1 . . ? C24 C23 C22 111.2(3) . . ? C24 C23 H23A 109.4 . . ? C22 C23 H23A 109.4 . . ? C24 C23 H23B 109.4 . . ? C22 C23 H23B 109.4 . . ? H23A C23 H23B 108.0 . . ? C23 C24 C25 111.0(3) . . ? C23 C24 H24A 109.4 . . ? C25 C24 H24A 109.4 . . ? C23 C24 H24B 109.4 . . ? C25 C24 H24B 109.4 . . ? H24A C24 H24B 108.0 . . ? C24 C25 C26 110.9(3) . . ? C24 C25 H25A 109.4 . . ? C26 C25 H25A 109.4 . . ? C24 C25 H25B 109.4 . . ? C26 C25 H25B 109.4 . . ? H25A C25 H25B 108.0 . . ? C25 C26 C21 111.7(3) . . ? C25 C26 H26A 109.3 . . ? C21 C26 H26A 109.3 . . ? C25 C26 H26B 109.3 . . ? C21 C26 H26B 109.3 . . ? H26A C26 H26B 107.9 . . ? C36 C31 C32 110.4(2) . . ? C36 C31 P10 115.8(2) . . ? C32 C31 P10 112.1(2) . . ? C36 C31 H31 105.9 . . ? C32 C31 H31 105.9 . . ? P10 C31 H31 105.9 . . ? C33 C32 C31 111.3(2) . . ? C33 C32 H32A 109.4 . . ? C31 C32 H32A 109.4 . . ? C33 C32 H32B 109.4 . . ? C31 C32 H32B 109.4 . . ? H32A C32 H32B 108.0 . . ? C34 C33 C32 111.1(3) . . ? C34 C33 H33A 109.4 . . ? C32 C33 H33A 109.4 . . ? C34 C33 H33B 109.4 . . ? C32 C33 H33B 109.4 . . ? H33A C33 H33B 108.0 . . ? C35 C34 C33 111.1(3) . . ? C35 C34 H34A 109.4 . . ? C33 C34 H34A 109.4 . . ? C35 C34 H34B 109.4 . . ? C33 C34 H34B 109.4 . . ? H34A C34 H34B 108.0 . . ? C34 C35 C36 110.8(3) . . ? C34 C35 H35A 109.5 . . ? C36 C35 H35A 109.5 . . ? C34 C35 H35B 109.5 . . ? C36 C35 H35B 109.5 . . ? H35A C35 H35B 108.1 . . ? C31 C36 C35 111.7(3) . . ? C31 C36 H36A 109.3 . . ? C35 C36 H36A 109.3 . . ? C31 C36 H36B 109.3 . . ? C35 C36 H36B 109.3 . . ? H36A C36 H36B 107.9 . . ? C41 B40 Fe1 155.0(2) . . ? C41 B40 Pt1 123.2(2) . . ? Fe1 B40 Pt1 81.80(14) . . ? C46 C41 C42 119.5(3) . . ? C46 C41 B40 120.8(3) . . ? C42 C41 B40 119.7(3) . . ? C43 C42 C41 119.7(3) . . ? C43 C42 C48 119.6(3) . . ? C41 C42 C48 120.7(3) . . ? C44 C43 C42 118.9(3) . . ? C44 C43 C49 120.4(3) . . ? C42 C43 C49 120.7(3) . . ? C43 C44 C45 122.9(3) . . ? C43 C44 H44 118.6 . . ? C45 C44 H44 118.6 . . ? C44 C45 C46 118.6(3) . . ? C44 C45 C50 120.4(3) . . ? C46 C45 C50 121.0(3) . . ? C45 C46 C41 120.2(3) . . ? C45 C46 C47 119.6(3) . . ? C41 C46 C47 120.1(3) . . ? C46 C47 H47A 109.5 . . ? C46 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? C46 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C42 C48 H48A 109.5 . . ? C42 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C42 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C43 C49 H49A 109.5 . . ? C43 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? C43 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? N51 B50 Fe1 153.7(3) . . ? N51 B50 Pt1 126.2(2) . . ? Fe1 B50 Pt1 80.06(13) . . ? C45 C50 H50A 109.5 . . ? C45 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? C45 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? B50 N51 Si52 118.0(2) . . ? B50 N51 Si56 117.1(2) . . ? Si52 N51 Si56 123.60(14) . . ? N51 Si52 C53 109.49(13) . . ? N51 Si52 C55 108.09(13) . . ? C53 Si52 C55 110.91(15) . . ? N51 Si52 C54 110.96(14) . . ? C53 Si52 C54 107.53(15) . . ? C55 Si52 C54 109.87(15) . . ? Si52 C53 H53A 109.5 . . ? Si52 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? Si52 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? Si52 C54 H54A 109.5 . . ? Si52 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? Si52 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? Si52 C55 H55A 109.5 . . ? Si52 C55 H55B 109.5 . . ? H55A C55 H55B 109.5 . . ? Si52 C55 H55C 109.5 . . ? H55A C55 H55C 109.5 . . ? H55B C55 H55C 109.5 . . ? N51 Si56 C57 109.66(13) . . ? N51 Si56 C59 110.91(15) . . ? C57 Si56 C59 106.55(16) . . ? N51 Si56 C58 107.88(15) . . ? C57 Si56 C58 109.86(16) . . ? C59 Si56 C58 111.97(16) . . ? Si56 C57 H57A 109.5 . . ? Si56 C57 H57B 109.5 . . ? H57A C57 H57B 109.5 . . ? Si56 C57 H57C 109.5 . . ? H57A C57 H57C 109.5 . . ? H57B C57 H57C 109.5 . . ? Si56 C58 H58A 109.5 . . ? Si56 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? Si56 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? Si56 C59 H59A 109.5 . . ? Si56 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? Si56 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag B40 Pt1 Fe1 C5 -104.84(18) . . . . ? B50 Pt1 Fe1 C5 43.14(17) . . . . ? B40 Pt1 Fe1 C1 21.53(18) . . . . ? B50 Pt1 Fe1 C1 169.50(17) . . . . ? B40 Pt1 Fe1 C3 131.78(17) . . . . ? B50 Pt1 Fe1 C3 -80.24(17) . . . . ? B50 Pt1 Fe1 B40 147.98(19) . . . . ? B40 Pt1 Fe1 B50 -147.98(19) . . . . ? B40 Pt1 P10 C11 -82.12(16) . . . . ? B50 Pt1 P10 C11 132.09(17) . . . . ? B40 Pt1 P10 C31 156.15(17) . . . . ? B50 Pt1 P10 C31 10.36(19) . . . . ? B40 Pt1 P10 C21 35.25(17) . . . . ? B50 Pt1 P10 C21 -110.55(19) . . . . ? C31 P10 C11 C12 63.9(2) . . . . ? C21 P10 C11 C12 177.0(2) . . . . ? Pt1 P10 C11 C12 -61.9(2) . . . . ? C31 P10 C11 C16 -175.0(2) . . . . ? C21 P10 C11 C16 -61.9(2) . . . . ? Pt1 P10 C11 C16 59.2(2) . . . . ? C16 C11 C12 C13 55.8(3) . . . . ? P10 C11 C12 C13 177.8(2) . . . . ? C11 C12 C13 C14 -55.9(3) . . . . ? C12 C13 C14 C15 54.5(4) . . . . ? C13 C14 C15 C16 -55.2(4) . . . . ? C14 C15 C16 C11 57.5(4) . . . . ? C12 C11 C16 C15 -56.7(3) . . . . ? P10 C11 C16 C15 -179.7(2) . . . . ? C11 P10 C21 C22 -38.2(3) . . . . ? C31 P10 C21 C22 74.9(3) . . . . ? Pt1 P10 C21 C22 -159.9(2) . . . . ? C11 P10 C21 C26 -165.4(2) . . . . ? C31 P10 C21 C26 -52.3(3) . . . . ? Pt1 P10 C21 C26 72.9(2) . . . . ? C26 C21 C22 C23 -56.5(3) . . . . ? P10 C21 C22 C23 175.9(2) . . . . ? C21 C22 C23 C24 57.6(4) . . . . ? C22 C23 C24 C25 -56.6(4) . . . . ? C23 C24 C25 C26 55.3(4) . . . . ? C24 C25 C26 C21 -55.4(4) . . . . ? C22 C21 C26 C25 56.0(4) . . . . ? P10 C21 C26 C25 -173.1(2) . . . . ? C11 P10 C31 C36 34.6(3) . . . . ? C21 P10 C31 C36 -77.2(3) . . . . ? Pt1 P10 C31 C36 159.30(19) . . . . ? C11 P10 C31 C32 -93.3(2) . . . . ? C21 P10 C31 C32 154.8(2) . . . . ? Pt1 P10 C31 C32 31.3(3) . . . . ? C36 C31 C32 C33 54.7(4) . . . . ? P10 C31 C32 C33 -174.6(2) . . . . ? C31 C32 C33 C34 -55.6(4) . . . . ? C32 C33 C34 C35 56.5(4) . . . . ? C33 C34 C35 C36 -56.7(4) . . . . ? C32 C31 C36 C35 -55.2(3) . . . . ? P10 C31 C36 C35 176.0(2) . . . . ? C34 C35 C36 C31 56.4(4) . . . . ? C5 Fe1 B40 C41 -68.9(6) . . . . ? C1 Fe1 B40 C41 21.5(6) . . . . ? C3 Fe1 B40 C41 109.6(6) . . . . ? B50 Fe1 B40 C41 -152.8(6) . . . . ? Pt1 Fe1 B40 C41 -177.7(7) . . . . ? C5 Fe1 B40 Pt1 108.73(15) . . . . ? C1 Fe1 B40 Pt1 -160.82(16) . . . . ? C3 Fe1 B40 Pt1 -72.70(18) . . . . ? B50 Fe1 B40 Pt1 24.88(15) . . . . ? B50 Pt1 B40 C41 155.6(3) . . . . ? P10 Pt1 B40 C41 -3.6(3) . . . . ? Fe1 Pt1 B40 C41 178.8(3) . . . . ? B50 Pt1 B40 Fe1 -23.20(13) . . . . ? P10 Pt1 B40 Fe1 177.57(4) . . . . ? Fe1 B40 C41 C46 -93.0(6) . . . . ? Pt1 B40 C41 C46 89.8(3) . . . . ? Fe1 B40 C41 C42 89.7(6) . . . . ? Pt1 B40 C41 C42 -87.5(3) . . . . ? C46 C41 C42 C43 -3.5(4) . . . . ? B40 C41 C42 C43 173.8(3) . . . . ? C46 C41 C42 C48 173.8(3) . . . . ? B40 C41 C42 C48 -8.9(4) . . . . ? C41 C42 C43 C44 -0.6(4) . . . . ? C48 C42 C43 C44 -178.0(3) . . . . ? C41 C42 C43 C49 176.9(3) . . . . ? C48 C42 C43 C49 -0.4(4) . . . . ? C42 C43 C44 C45 4.0(5) . . . . ? C49 C43 C44 C45 -173.6(3) . . . . ? C43 C44 C45 C46 -3.1(4) . . . . ? C43 C44 C45 C50 176.8(3) . . . . ? C44 C45 C46 C41 -1.3(4) . . . . ? C50 C45 C46 C41 178.8(3) . . . . ? C44 C45 C46 C47 175.6(3) . . . . ? C50 C45 C46 C47 -4.2(4) . . . . ? C42 C41 C46 C45 4.5(4) . . . . ? B40 C41 C46 C45 -172.8(3) . . . . ? C42 C41 C46 C47 -172.4(3) . . . . ? B40 C41 C46 C47 10.3(4) . . . . ? C5 Fe1 B50 N51 36.1(6) . . . . ? C1 Fe1 B50 N51 126.8(7) . . . . ? C3 Fe1 B50 N51 -72.5(6) . . . . ? B40 Fe1 B50 N51 156.2(6) . . . . ? Pt1 Fe1 B50 N51 -179.5(6) . . . . ? C5 Fe1 B50 Pt1 -144.34(13) . . . . ? C1 Fe1 B50 Pt1 -53.7(8) . . . . ? C3 Fe1 B50 Pt1 107.09(14) . . . . ? B40 Fe1 B50 Pt1 -24.25(14) . . . . ? B40 Pt1 B50 N51 -157.1(3) . . . . ? P10 Pt1 B50 N51 -5.3(4) . . . . ? Fe1 Pt1 B50 N51 179.7(3) . . . . ? B40 Pt1 B50 Fe1 23.19(13) . . . . ? P10 Pt1 B50 Fe1 174.96(5) . . . . ? Fe1 B50 N51 Si52 73.9(6) . . . . ? Pt1 B50 N51 Si52 -105.5(3) . . . . ? Fe1 B50 N51 Si56 -93.4(6) . . . . ? Pt1 B50 N51 Si56 87.2(3) . . . . ? B50 N51 Si52 C53 -72.0(3) . . . . ? Si56 N51 Si52 C53 94.46(19) . . . . ? B50 N51 Si52 C55 49.0(3) . . . . ? Si56 N51 Si52 C55 -144.61(16) . . . . ? B50 N51 Si52 C54 169.5(2) . . . . ? Si56 N51 Si52 C54 -24.1(2) . . . . ? B50 N51 Si56 C57 -9.3(3) . . . . ? Si52 N51 Si56 C57 -175.83(16) . . . . ? B50 N51 Si56 C59 -126.7(2) . . . . ? Si52 N51 Si56 C59 66.8(2) . . . . ? B50 N51 Si56 C58 110.3(2) . . . . ? Si52 N51 Si56 C58 -56.20(19) . . . . ? _diffrn_measured_fraction_theta_max 0.989 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 0.836 _refine_diff_density_min -0.830 _refine_diff_density_rms 0.108 _database_code_depnum_ccdc_archive 'CCDC 940839' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_8 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C38 H63 B2 Fe N O4 P Pt Si2' _chemical_formula_sum 'C38 H63 B2 Fe N O4 P Pt Si2' _chemical_formula_weight 957.60 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' N N 0.0061 0.0033 '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' Si Si 0.0817 0.0704 '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' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.4922(6) _cell_length_b 11.7168(7) _cell_length_c 20.7030(13) _cell_angle_alpha 78.249(2) _cell_angle_beta 81.135(2) _cell_angle_gamma 76.416(2) _cell_volume 2177.5(2) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 5550 _cell_measurement_theta_min 2.22 _cell_measurement_theta_max 25.58 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.17 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.460 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 974 _exptl_absorpt_coefficient_mu 3.670 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6119 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details 'Sadabs 2008/1 (Bruker 2008)' _exptl_special_details ; The crystal was immersed in a film of perfluoropolyether oil, mounted on a a glass fiber and transferred to stream of cold nitrogen. ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker X8-APEX II' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean 8.333 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 23988 _diffrn_reflns_av_R_equivalents 0.0602 _diffrn_reflns_av_sigmaI/netI 0.0853 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.82 _diffrn_reflns_theta_max 26.37 _reflns_number_total 8880 _reflns_number_gt 7014 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2010.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.68A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.68A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0341P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8880 _refine_ls_number_parameters 461 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0629 _refine_ls_R_factor_gt 0.0423 _refine_ls_wR_factor_ref 0.0814 _refine_ls_wR_factor_gt 0.0767 _refine_ls_goodness_of_fit_ref 0.964 _refine_ls_restrained_S_all 0.964 _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 Pt1 Pt 0.81498(2) 0.725862(17) 0.757286(11) 0.01408(7) Uani 1 1 d . . . Fe1 Fe 0.69219(8) 0.94907(6) 0.74091(4) 0.01748(17) Uani 1 1 d . . . B1 B 0.7992(6) 0.8619(5) 0.8149(3) 0.0174(13) Uani 1 1 d . . . N1 N 0.8508(5) 0.8631(4) 0.8753(2) 0.0189(10) Uani 1 1 d . . . B2 B 0.6920(7) 0.8343(5) 0.6832(3) 0.0185(14) Uani 1 1 d . . . C1 C 0.9634(6) 0.6515(5) 0.8150(3) 0.0223(13) Uani 1 1 d . . . O1 O 1.0623(4) 0.6098(3) 0.8439(2) 0.0340(11) Uani 1 1 d . . . C2 C 0.6285(6) 1.0371(5) 0.8034(3) 0.0251(13) Uani 1 1 d . . . O2 O 0.5827(5) 1.0971(3) 0.8430(2) 0.0367(11) Uani 1 1 d . . . C3 C 0.5274(6) 0.9934(4) 0.7042(3) 0.0232(13) Uani 1 1 d . . . O3 O 0.4181(4) 1.0321(3) 0.6829(2) 0.0314(10) Uani 1 1 d . . . C4 C 0.8029(7) 1.0389(5) 0.6877(3) 0.0335(16) Uani 1 1 d . . . O4 O 0.8712(5) 1.1011(4) 0.6532(3) 0.0568(15) Uani 1 1 d . . . P1 P 0.81923(14) 0.54081(11) 0.72774(7) 0.0144(3) Uani 1 1 d . . . Si1_1 Si 1.00641(17) 0.92426(13) 0.86957(8) 0.0224(4) Uani 1 1 d . . . C2_1 C 1.1234(6) 0.8377(5) 0.9346(3) 0.0312(15) Uani 1 1 d . . . H2A_1 H 1.0676 0.8398 0.9785 0.047 Uiso 1 1 calc R . . H2B_1 H 1.2086 0.8729 0.9321 0.047 Uiso 1 1 calc R . . H2C_1 H 1.1558 0.7549 0.9277 0.047 Uiso 1 1 calc R . . C3_1 C 0.9474(7) 1.0849(5) 0.8782(3) 0.0304(14) Uani 1 1 d . . . H3A_1 H 0.8929 1.1292 0.8411 0.046 Uiso 1 1 calc R . . H3B_1 H 1.0334 1.1178 0.8778 0.046 Uiso 1 1 calc R . . H3C_1 H 0.8849 1.0918 0.9201 0.046 Uiso 1 1 calc R . . C4_1 C 1.1172(6) 0.9129(6) 0.7882(3) 0.0372(16) Uani 1 1 d . . . H4A_1 H 1.1389 0.8300 0.7811 0.056 Uiso 1 1 calc R . . H4B_1 H 1.2087 0.9383 0.7878 0.056 Uiso 1 1 calc R . . H4C_1 H 1.0627 0.9642 0.7527 0.056 Uiso 1 1 calc R . . Si1_2 Si 0.75019(17) 0.81302(13) 0.95050(8) 0.0212(3) Uani 1 1 d . . . C2_2 C 0.7224(7) 0.9229(5) 1.0070(3) 0.0324(15) Uani 1 1 d . . . H2A_2 H 0.8166 0.9249 1.0201 0.049 Uiso 1 1 calc R . . H2B_2 H 0.6573 0.8997 1.0466 0.049 Uiso 1 1 calc R . . H2C_2 H 0.6788 1.0022 0.9840 0.049 Uiso 1 1 calc R . . C3_2 C 0.8476(6) 0.6640(5) 0.9923(3) 0.0315(15) Uani 1 1 d . . . H3A_2 H 0.8548 0.6042 0.9644 0.047 Uiso 1 1 calc R . . H3B_2 H 0.7930 0.6408 1.0354 0.047 Uiso 1 1 calc R . . H3C_2 H 0.9456 0.6691 0.9991 0.047 Uiso 1 1 calc R . . C4_2 C 0.5689(6) 0.8001(5) 0.9331(3) 0.0260(13) Uani 1 1 d . . . H4A_2 H 0.5193 0.8769 0.9097 0.039 Uiso 1 1 calc R . . H4B_2 H 0.5102 0.7776 0.9750 0.039 Uiso 1 1 calc R . . H4C_2 H 0.5817 0.7390 0.9054 0.039 Uiso 1 1 calc R . . C1_3 C 0.6508(6) 0.8309(4) 0.6138(3) 0.0156(11) Uani 1 1 d . . . C2_3 C 0.5131(6) 0.8157(4) 0.6046(3) 0.0171(11) Uani 1 1 d . . . C3_3 C 0.4742(6) 0.8289(4) 0.5408(3) 0.0192(12) Uani 1 1 d . . . C4_3 C 0.5752(6) 0.8517(4) 0.4866(3) 0.0203(12) Uani 1 1 d . . . H4_3 H 0.5487 0.8600 0.4433 0.024 Uiso 1 1 calc R . . C5_3 C 0.7149(6) 0.8630(4) 0.4939(3) 0.0188(12) Uani 1 1 d . . . C6_3 C 0.7525(6) 0.8527(4) 0.5576(3) 0.0164(11) Uani 1 1 d . . . C7_3 C 0.4053(6) 0.7848(4) 0.6635(3) 0.0230(13) Uani 1 1 d . . . H7A_3 H 0.4479 0.7786 0.7046 0.034 Uiso 1 1 calc R . . H7B_3 H 0.3817 0.7084 0.6620 0.034 Uiso 1 1 calc R . . H7C_3 H 0.3161 0.8473 0.6622 0.034 Uiso 1 1 calc R . . C8_3 C 0.3252(6) 0.8150(5) 0.5309(3) 0.0271(14) Uani 1 1 d . . . H8A_3 H 0.3173 0.8259 0.4833 0.041 Uiso 1 1 calc R . . H8B_3 H 0.2501 0.8749 0.5506 0.041 Uiso 1 1 calc R . . H8C_3 H 0.3115 0.7351 0.5523 0.041 Uiso 1 1 calc R . . C9_3 C 0.8248(6) 0.8781(5) 0.4334(3) 0.0274(14) Uani 1 1 d . . . H9A_3 H 0.8720 0.9433 0.4350 0.041 Uiso 1 1 calc R . . H9B_3 H 0.7752 0.8967 0.3932 0.041 Uiso 1 1 calc R . . H9C_3 H 0.8987 0.8040 0.4328 0.041 Uiso 1 1 calc R . . C10_3 C 0.9054(6) 0.8641(5) 0.5652(3) 0.0219(12) Uani 1 1 d . . . H10A_3 H 0.9772 0.8144 0.5376 0.033 Uiso 1 1 calc R . . H10B_3 H 0.9235 0.8377 0.6118 0.033 Uiso 1 1 calc R . . H10C_3 H 0.9139 0.9475 0.5512 0.033 Uiso 1 1 calc R . . C1_4 C 0.7083(5) 0.4621(4) 0.7960(3) 0.0179(12) Uani 1 1 d . . . H1_4 H 0.7105 0.3825 0.7849 0.021 Uiso 1 1 calc R . . C2_4 C 0.5480(5) 0.5313(5) 0.7992(3) 0.0200(12) Uani 1 1 d . . . H2A_4 H 0.5434 0.6129 0.8067 0.024 Uiso 1 1 calc R . . H2B_4 H 0.5110 0.5381 0.7561 0.024 Uiso 1 1 calc R . . C3_4 C 0.4511(6) 0.4705(5) 0.8541(3) 0.0262(13) Uani 1 1 d . . . H3A_4 H 0.4472 0.3922 0.8443 0.031 Uiso 1 1 calc R . . H3B_4 H 0.3508 0.5197 0.8560 0.031 Uiso 1 1 calc R . . C4_4 C 0.5084(6) 0.4528(5) 0.9210(3) 0.0253(13) Uani 1 1 d . . . H4A_4 H 0.4456 0.4105 0.9558 0.030 Uiso 1 1 calc R . . H4B_4 H 0.5049 0.5314 0.9326 0.030 Uiso 1 1 calc R . . C5_4 C 0.6648(6) 0.3808(5) 0.9189(3) 0.0272(14) Uani 1 1 d . . . H5A_4 H 0.7014 0.3731 0.9622 0.033 Uiso 1 1 calc R . . H5B_4 H 0.6668 0.2996 0.9113 0.033 Uiso 1 1 calc R . . C6_4 C 0.7638(6) 0.4401(5) 0.8640(3) 0.0241(13) Uani 1 1 d . . . H6A_4 H 0.8629 0.3888 0.8622 0.029 Uiso 1 1 calc R . . H6B_4 H 0.7708 0.5171 0.8746 0.029 Uiso 1 1 calc R . . C1_5 C 0.7459(5) 0.5283(4) 0.6519(2) 0.0136(11) Uani 1 1 d . . . C2_5 C 0.6958(6) 0.4143(4) 0.6521(3) 0.0192(12) Uani 1 1 d . . . H2A_5 H 0.6207 0.4022 0.6902 0.023 Uiso 1 1 calc R . . H2B_5 H 0.7794 0.3457 0.6576 0.023 Uiso 1 1 calc R . . C3_5 C 0.6330(6) 0.4189(5) 0.5879(3) 0.0245(13) Uani 1 1 d . . . H3A_5 H 0.6064 0.3417 0.5887 0.029 Uiso 1 1 calc R . . H3B_5 H 0.5430 0.4819 0.5849 0.029 Uiso 1 1 calc R . . C4_5 C 0.7399(6) 0.4440(5) 0.5272(3) 0.0283(14) Uani 1 1 d . . . H4A_5 H 0.6925 0.4523 0.4866 0.034 Uiso 1 1 calc R . . H4B_5 H 0.8247 0.3762 0.5271 0.034 Uiso 1 1 calc R . . C5_5 C 0.7914(6) 0.5573(4) 0.5267(3) 0.0226(13) Uani 1 1 d . . . H5A_5 H 0.7080 0.6263 0.5223 0.027 Uiso 1 1 calc R . . H5B_5 H 0.8652 0.5697 0.4880 0.027 Uiso 1 1 calc R . . C6_5 C 0.8576(6) 0.5500(4) 0.5904(3) 0.0173(12) Uani 1 1 d . . . H6A_5 H 0.8888 0.6252 0.5894 0.021 Uiso 1 1 calc R . . H6B_5 H 0.9447 0.4841 0.5934 0.021 Uiso 1 1 calc R . . C1_6 C 1.0071(5) 0.4494(4) 0.7303(3) 0.0165(11) Uani 1 1 d . . . H1_6 H 1.0282 0.4426 0.7770 0.020 Uiso 1 1 calc R . . C2_6 C 1.1252(5) 0.5114(4) 0.6870(3) 0.0197(12) Uani 1 1 d . . . H2A_6 H 1.1185 0.5137 0.6395 0.024 Uiso 1 1 calc R . . H2B_6 H 1.1087 0.5945 0.6946 0.024 Uiso 1 1 calc R . . C3_6 C 1.2764(6) 0.4440(5) 0.7045(3) 0.0249(13) Uani 1 1 d . . . H3A_6 H 1.2852 0.4474 0.7510 0.030 Uiso 1 1 calc R . . H3B_6 H 1.3512 0.4828 0.6755 0.030 Uiso 1 1 calc R . . C4_6 C 1.3044(6) 0.3130(5) 0.6959(3) 0.0296(14) Uani 1 1 d . . . H4A_6 H 1.3063 0.3089 0.6485 0.036 Uiso 1 1 calc R . . H4B_6 H 1.4004 0.2701 0.7103 0.036 Uiso 1 1 calc R . . C5_6 C 1.1847(6) 0.2533(4) 0.7370(3) 0.0277(14) Uani 1 1 d . . . H5A_6 H 1.1901 0.2502 0.7847 0.033 Uiso 1 1 calc R . . H5B_6 H 1.2014 0.1704 0.7292 0.033 Uiso 1 1 calc R . . C6_6 C 1.0323(6) 0.3199(4) 0.7197(3) 0.0204(12) Uani 1 1 d . . . H6A_6 H 0.9577 0.2803 0.7483 0.024 Uiso 1 1 calc R . . H6B_6 H 1.0235 0.3185 0.6729 0.024 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.01337(10) 0.00995(10) 0.01806(11) -0.00640(7) -0.00215(8) 0.00290(7) Fe1 0.0197(4) 0.0120(4) 0.0201(4) -0.0064(3) -0.0017(4) 0.0006(3) B1 0.014(3) 0.014(3) 0.021(3) -0.002(2) 0.003(3) -0.002(2) N1 0.016(2) 0.022(2) 0.019(3) -0.0081(19) 0.000(2) -0.0018(19) B2 0.015(3) 0.014(3) 0.025(4) 0.000(3) 0.000(3) -0.005(2) C1 0.029(3) 0.025(3) 0.019(3) -0.015(2) -0.001(3) -0.008(3) O1 0.030(2) 0.029(2) 0.045(3) -0.017(2) -0.022(2) 0.0101(18) C2 0.030(3) 0.021(3) 0.024(3) -0.006(3) -0.009(3) 0.000(2) O2 0.041(3) 0.030(2) 0.039(3) -0.020(2) -0.007(2) 0.008(2) C3 0.031(3) 0.011(3) 0.027(3) -0.009(2) -0.003(3) 0.001(2) O3 0.026(2) 0.026(2) 0.039(3) -0.0142(19) -0.012(2) 0.0131(18) C4 0.038(4) 0.014(3) 0.045(4) -0.015(3) 0.011(3) -0.001(3) O4 0.057(3) 0.025(3) 0.078(4) -0.010(2) 0.035(3) -0.016(2) P1 0.0138(7) 0.0102(6) 0.0189(8) -0.0053(5) -0.0008(6) -0.0001(5) Si1_1 0.0217(9) 0.0235(8) 0.0246(9) -0.0102(7) -0.0013(7) -0.0055(7) C2_1 0.023(3) 0.034(3) 0.042(4) -0.012(3) -0.012(3) -0.007(3) C3_1 0.036(4) 0.024(3) 0.032(4) -0.009(3) 0.000(3) -0.008(3) C4_1 0.023(3) 0.052(4) 0.044(4) -0.022(3) 0.008(3) -0.018(3) Si1_2 0.0208(8) 0.0217(8) 0.0207(9) -0.0062(6) -0.0007(7) -0.0028(6) C2_2 0.034(4) 0.038(4) 0.027(4) -0.014(3) 0.004(3) -0.009(3) C3_2 0.023(3) 0.033(3) 0.035(4) -0.001(3) -0.002(3) -0.005(3) C4_2 0.018(3) 0.027(3) 0.031(4) -0.004(3) 0.001(3) -0.004(2) C1_3 0.018(3) 0.009(2) 0.018(3) -0.004(2) 0.000(2) 0.002(2) C2_3 0.019(3) 0.009(2) 0.022(3) -0.005(2) -0.002(2) 0.003(2) C3_3 0.021(3) 0.010(3) 0.029(3) -0.009(2) -0.011(3) 0.003(2) C4_3 0.021(3) 0.015(3) 0.023(3) -0.007(2) -0.006(3) 0.006(2) C5_3 0.027(3) 0.009(2) 0.017(3) 0.000(2) 0.001(3) -0.002(2) C6_3 0.018(3) 0.009(2) 0.022(3) -0.005(2) -0.003(2) 0.000(2) C7_3 0.019(3) 0.017(3) 0.030(3) -0.002(2) -0.003(3) 0.000(2) C8_3 0.025(3) 0.028(3) 0.031(4) -0.013(3) -0.006(3) -0.004(3) C9_3 0.026(3) 0.031(3) 0.023(3) -0.005(3) -0.003(3) -0.001(3) C10_3 0.021(3) 0.020(3) 0.024(3) -0.005(2) -0.002(3) -0.003(2) C1_4 0.017(3) 0.013(3) 0.022(3) -0.002(2) -0.001(2) -0.002(2) C2_4 0.013(3) 0.022(3) 0.022(3) -0.002(2) -0.003(2) 0.000(2) C3_4 0.022(3) 0.026(3) 0.028(3) -0.001(3) -0.002(3) -0.004(2) C4_4 0.018(3) 0.030(3) 0.023(3) -0.003(3) 0.006(3) -0.002(2) C5_4 0.022(3) 0.031(3) 0.022(3) 0.002(3) -0.001(3) 0.000(3) C6_4 0.021(3) 0.021(3) 0.027(3) -0.001(2) -0.002(3) 0.000(2) C1_5 0.014(3) 0.015(3) 0.012(3) -0.005(2) 0.003(2) -0.004(2) C2_5 0.018(3) 0.017(3) 0.021(3) -0.012(2) 0.010(2) -0.003(2) C3_5 0.023(3) 0.024(3) 0.031(3) -0.012(3) -0.006(3) -0.004(2) C4_5 0.029(3) 0.021(3) 0.036(4) -0.014(3) -0.011(3) 0.003(2) C5_5 0.023(3) 0.020(3) 0.022(3) -0.006(2) -0.001(3) 0.001(2) C6_5 0.018(3) 0.010(2) 0.023(3) -0.007(2) -0.001(2) 0.002(2) C1_6 0.014(3) 0.011(3) 0.023(3) -0.006(2) -0.003(2) 0.002(2) C2_6 0.018(3) 0.017(3) 0.026(3) -0.008(2) -0.001(3) -0.003(2) C3_6 0.015(3) 0.028(3) 0.030(3) -0.007(3) 0.002(3) -0.002(2) C4_6 0.017(3) 0.021(3) 0.047(4) -0.009(3) -0.002(3) 0.004(2) C5_6 0.023(3) 0.015(3) 0.043(4) -0.008(3) -0.004(3) 0.001(2) C6_6 0.017(3) 0.012(3) 0.030(3) -0.004(2) 0.002(3) -0.001(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 Pt1 C1 1.920(6) . ? Pt1 B2 2.096(6) . ? Pt1 B1 2.144(6) . ? Pt1 P1 2.3597(13) . ? Pt1 Fe1 2.5772(7) . ? Fe1 C2 1.764(6) . ? Fe1 C3 1.766(6) . ? Fe1 C4 1.766(7) . ? Fe1 B1 1.944(6) . ? Fe1 B2 1.973(6) . ? B1 N1 1.415(7) . ? N1 Si1_2 1.764(5) . ? N1 Si1_1 1.766(4) . ? B2 C1_3 1.556(8) . ? C1 O1 1.148(6) . ? C2 O2 1.156(6) . ? C3 O3 1.147(6) . ? C4 O4 1.152(7) . ? P1 C1_4 1.851(5) . ? P1 C1_6 1.854(5) . ? P1 C1_5 1.857(5) . ? Si1_1 C4_1 1.855(6) . ? Si1_1 C2_1 1.858(6) . ? Si1_1 C3_1 1.870(5) . ? C2_1 H2A_1 0.9800 . ? C2_1 H2B_1 0.9800 . ? C2_1 H2C_1 0.9800 . ? C3_1 H3A_1 0.9800 . ? C3_1 H3B_1 0.9800 . ? C3_1 H3C_1 0.9800 . ? C4_1 H4A_1 0.9800 . ? C4_1 H4B_1 0.9800 . ? C4_1 H4C_1 0.9800 . ? Si1_2 C4_2 1.857(5) . ? Si1_2 C2_2 1.859(6) . ? Si1_2 C3_2 1.878(6) . ? C2_2 H2A_2 0.9800 . ? C2_2 H2B_2 0.9800 . ? C2_2 H2C_2 0.9800 . ? C3_2 H3A_2 0.9800 . ? C3_2 H3B_2 0.9800 . ? C3_2 H3C_2 0.9800 . ? C4_2 H4A_2 0.9800 . ? C4_2 H4B_2 0.9800 . ? C4_2 H4C_2 0.9800 . ? C1_3 C2_3 1.406(7) . ? C1_3 C6_3 1.414(7) . ? C2_3 C3_3 1.395(7) . ? C2_3 C7_3 1.508(7) . ? C3_3 C4_3 1.384(8) . ? C3_3 C8_3 1.510(7) . ? C4_3 C5_3 1.397(7) . ? C4_3 H4_3 0.9500 . ? C5_3 C6_3 1.393(7) . ? C5_3 C9_3 1.510(7) . ? C6_3 C10_3 1.523(7) . ? C7_3 H7A_3 0.9800 . ? C7_3 H7B_3 0.9800 . ? C7_3 H7C_3 0.9800 . ? C8_3 H8A_3 0.9800 . ? C8_3 H8B_3 0.9800 . ? C8_3 H8C_3 0.9800 . ? C9_3 H9A_3 0.9800 . ? C9_3 H9B_3 0.9800 . ? C9_3 H9C_3 0.9800 . ? C10_3 H10A_3 0.9800 . ? C10_3 H10B_3 0.9800 . ? C10_3 H10C_3 0.9800 . ? C1_4 C6_4 1.531(7) . ? C1_4 C2_4 1.545(7) . ? C1_4 H1_4 1.0000 . ? C2_4 C3_4 1.517(7) . ? C2_4 H2A_4 0.9900 . ? C2_4 H2B_4 0.9900 . ? C3_4 C4_4 1.524(7) . ? C3_4 H3A_4 0.9900 . ? C3_4 H3B_4 0.9900 . ? C4_4 C5_4 1.524(7) . ? C4_4 H4A_4 0.9900 . ? C4_4 H4B_4 0.9900 . ? C5_4 C6_4 1.521(7) . ? C5_4 H5A_4 0.9900 . ? C5_4 H5B_4 0.9900 . ? C6_4 H6A_4 0.9900 . ? C6_4 H6B_4 0.9900 . ? C1_5 C2_5 1.519(7) . ? C1_5 C6_5 1.546(7) . ? C2_5 C3_5 1.525(7) . ? C2_5 H2A_5 0.9900 . ? C2_5 H2B_5 0.9900 . ? C3_5 C4_5 1.513(8) . ? C3_5 H3A_5 0.9900 . ? C3_5 H3B_5 0.9900 . ? C4_5 C5_5 1.516(7) . ? C4_5 H4A_5 0.9900 . ? C4_5 H4B_5 0.9900 . ? C5_5 C6_5 1.524(7) . ? C5_5 H5A_5 0.9900 . ? C5_5 H5B_5 0.9900 . ? C6_5 H6A_5 0.9900 . ? C6_5 H6B_5 0.9900 . ? C1_6 C6_6 1.535(6) . ? C1_6 C2_6 1.549(7) . ? C1_6 H1_6 1.0000 . ? C2_6 C3_6 1.525(7) . ? C2_6 H2A_6 0.9900 . ? C2_6 H2B_6 0.9900 . ? C3_6 C4_6 1.537(7) . ? C3_6 H3A_6 0.9900 . ? C3_6 H3B_6 0.9900 . ? C4_6 C5_6 1.529(7) . ? C4_6 H4A_6 0.9900 . ? C4_6 H4B_6 0.9900 . ? C5_6 C6_6 1.531(7) . ? C5_6 H5A_6 0.9900 . ? C5_6 H5B_6 0.9900 . ? C6_6 H6A_6 0.9900 . ? C6_6 H6B_6 0.9900 . ? 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 C1 Pt1 B2 165.2(2) . . ? C1 Pt1 B1 78.9(2) . . ? B2 Pt1 B1 96.1(2) . . ? C1 Pt1 P1 90.67(15) . . ? B2 Pt1 P1 97.41(17) . . ? B1 Pt1 P1 161.78(16) . . ? C1 Pt1 Fe1 124.66(15) . . ? B2 Pt1 Fe1 48.62(17) . . ? B1 Pt1 Fe1 47.54(16) . . ? P1 Pt1 Fe1 144.65(4) . . ? C2 Fe1 C3 94.0(2) . . ? C2 Fe1 C4 99.4(3) . . ? C3 Fe1 C4 102.2(3) . . ? C2 Fe1 B1 76.2(2) . . ? C3 Fe1 B1 149.3(3) . . ? C4 Fe1 B1 108.0(3) . . ? C2 Fe1 B2 158.4(3) . . ? C3 Fe1 B2 72.0(2) . . ? C4 Fe1 B2 99.6(3) . . ? B1 Fe1 B2 107.3(2) . . ? C2 Fe1 Pt1 126.88(18) . . ? C3 Fe1 Pt1 117.67(16) . . ? C4 Fe1 Pt1 112.51(19) . . ? B1 Fe1 Pt1 54.45(17) . . ? B2 Fe1 Pt1 52.85(17) . . ? N1 B1 Fe1 148.3(4) . . ? N1 B1 Pt1 133.7(4) . . ? Fe1 B1 Pt1 78.0(2) . . ? B1 N1 Si1_2 118.4(4) . . ? B1 N1 Si1_1 116.9(4) . . ? Si1_2 N1 Si1_1 124.6(3) . . ? C1_3 B2 Fe1 140.5(4) . . ? C1_3 B2 Pt1 139.9(4) . . ? Fe1 B2 Pt1 78.5(2) . . ? O1 C1 Pt1 172.9(5) . . ? O2 C2 Fe1 177.6(5) . . ? O3 C3 Fe1 173.3(5) . . ? O4 C4 Fe1 177.5(5) . . ? C1_4 P1 C1_6 104.8(2) . . ? C1_4 P1 C1_5 103.6(2) . . ? C1_6 P1 C1_5 109.5(2) . . ? C1_4 P1 Pt1 106.21(17) . . ? C1_6 P1 Pt1 108.46(16) . . ? C1_5 P1 Pt1 122.74(16) . . ? N1 Si1_1 C4_1 110.4(2) . . ? N1 Si1_1 C2_1 109.5(2) . . ? C4_1 Si1_1 C2_1 107.0(3) . . ? N1 Si1_1 C3_1 109.3(2) . . ? C4_1 Si1_1 C3_1 109.1(3) . . ? C2_1 Si1_1 C3_1 111.5(3) . . ? Si1_1 C2_1 H2A_1 109.5 . . ? Si1_1 C2_1 H2B_1 109.5 . . ? H2A_1 C2_1 H2B_1 109.5 . . ? Si1_1 C2_1 H2C_1 109.5 . . ? H2A_1 C2_1 H2C_1 109.5 . . ? H2B_1 C2_1 H2C_1 109.5 . . ? Si1_1 C3_1 H3A_1 109.5 . . ? Si1_1 C3_1 H3B_1 109.5 . . ? H3A_1 C3_1 H3B_1 109.5 . . ? Si1_1 C3_1 H3C_1 109.5 . . ? H3A_1 C3_1 H3C_1 109.5 . . ? H3B_1 C3_1 H3C_1 109.5 . . ? Si1_1 C4_1 H4A_1 109.5 . . ? Si1_1 C4_1 H4B_1 109.5 . . ? H4A_1 C4_1 H4B_1 109.5 . . ? Si1_1 C4_1 H4C_1 109.5 . . ? H4A_1 C4_1 H4C_1 109.5 . . ? H4B_1 C4_1 H4C_1 109.5 . . ? N1 Si1_2 C4_2 109.2(2) . . ? N1 Si1_2 C2_2 109.5(2) . . ? C4_2 Si1_2 C2_2 108.6(3) . . ? N1 Si1_2 C3_2 111.1(2) . . ? C4_2 Si1_2 C3_2 109.2(3) . . ? C2_2 Si1_2 C3_2 109.2(3) . . ? Si1_2 C2_2 H2A_2 109.5 . . ? Si1_2 C2_2 H2B_2 109.5 . . ? H2A_2 C2_2 H2B_2 109.5 . . ? Si1_2 C2_2 H2C_2 109.5 . . ? H2A_2 C2_2 H2C_2 109.5 . . ? H2B_2 C2_2 H2C_2 109.5 . . ? Si1_2 C3_2 H3A_2 109.5 . . ? Si1_2 C3_2 H3B_2 109.5 . . ? H3A_2 C3_2 H3B_2 109.5 . . ? Si1_2 C3_2 H3C_2 109.5 . . ? H3A_2 C3_2 H3C_2 109.5 . . ? H3B_2 C3_2 H3C_2 109.5 . . ? Si1_2 C4_2 H4A_2 109.5 . . ? Si1_2 C4_2 H4B_2 109.5 . . ? H4A_2 C4_2 H4B_2 109.5 . . ? Si1_2 C4_2 H4C_2 109.5 . . ? H4A_2 C4_2 H4C_2 109.5 . . ? H4B_2 C4_2 H4C_2 109.5 . . ? C2_3 C1_3 C6_3 119.1(5) . . ? C2_3 C1_3 B2 122.4(5) . . ? C6_3 C1_3 B2 118.3(5) . . ? C3_3 C2_3 C1_3 120.4(5) . . ? C3_3 C2_3 C7_3 119.0(5) . . ? C1_3 C2_3 C7_3 120.6(5) . . ? C4_3 C3_3 C2_3 119.2(5) . . ? C4_3 C3_3 C8_3 120.3(5) . . ? C2_3 C3_3 C8_3 120.5(5) . . ? C3_3 C4_3 C5_3 122.0(5) . . ? C3_3 C4_3 H4_3 119.0 . . ? C5_3 C4_3 H4_3 119.0 . . ? C6_3 C5_3 C4_3 118.8(5) . . ? C6_3 C5_3 C9_3 121.3(5) . . ? C4_3 C5_3 C9_3 119.8(5) . . ? C5_3 C6_3 C1_3 120.4(5) . . ? C5_3 C6_3 C10_3 118.6(5) . . ? C1_3 C6_3 C10_3 120.9(5) . . ? C2_3 C7_3 H7A_3 109.5 . . ? C2_3 C7_3 H7B_3 109.5 . . ? H7A_3 C7_3 H7B_3 109.5 . . ? C2_3 C7_3 H7C_3 109.5 . . ? H7A_3 C7_3 H7C_3 109.5 . . ? H7B_3 C7_3 H7C_3 109.5 . . ? C3_3 C8_3 H8A_3 109.5 . . ? C3_3 C8_3 H8B_3 109.5 . . ? H8A_3 C8_3 H8B_3 109.5 . . ? C3_3 C8_3 H8C_3 109.5 . . ? H8A_3 C8_3 H8C_3 109.5 . . ? H8B_3 C8_3 H8C_3 109.5 . . ? C5_3 C9_3 H9A_3 109.5 . . ? C5_3 C9_3 H9B_3 109.5 . . ? H9A_3 C9_3 H9B_3 109.5 . . ? C5_3 C9_3 H9C_3 109.5 . . ? H9A_3 C9_3 H9C_3 109.5 . . ? H9B_3 C9_3 H9C_3 109.5 . . ? C6_3 C10_3 H10A_3 109.5 . . ? C6_3 C10_3 H10B_3 109.5 . . ? H10A_3 C10_3 H10B_3 109.5 . . ? C6_3 C10_3 H10C_3 109.5 . . ? H10A_3 C10_3 H10C_3 109.5 . . ? H10B_3 C10_3 H10C_3 109.5 . . ? C6_4 C1_4 C2_4 110.3(4) . . ? C6_4 C1_4 P1 114.4(4) . . ? C2_4 C1_4 P1 109.5(3) . . ? C6_4 C1_4 H1_4 107.4 . . ? C2_4 C1_4 H1_4 107.4 . . ? P1 C1_4 H1_4 107.4 . . ? C3_4 C2_4 C1_4 112.0(4) . . ? C3_4 C2_4 H2A_4 109.2 . . ? C1_4 C2_4 H2A_4 109.2 . . ? C3_4 C2_4 H2B_4 109.2 . . ? C1_4 C2_4 H2B_4 109.2 . . ? H2A_4 C2_4 H2B_4 107.9 . . ? C2_4 C3_4 C4_4 110.9(4) . . ? C2_4 C3_4 H3A_4 109.5 . . ? C4_4 C3_4 H3A_4 109.5 . . ? C2_4 C3_4 H3B_4 109.5 . . ? C4_4 C3_4 H3B_4 109.5 . . ? H3A_4 C3_4 H3B_4 108.0 . . ? C3_4 C4_4 C5_4 110.6(5) . . ? C3_4 C4_4 H4A_4 109.5 . . ? C5_4 C4_4 H4A_4 109.5 . . ? C3_4 C4_4 H4B_4 109.5 . . ? C5_4 C4_4 H4B_4 109.5 . . ? H4A_4 C4_4 H4B_4 108.1 . . ? C6_4 C5_4 C4_4 111.2(4) . . ? C6_4 C5_4 H5A_4 109.4 . . ? C4_4 C5_4 H5A_4 109.4 . . ? C6_4 C5_4 H5B_4 109.4 . . ? C4_4 C5_4 H5B_4 109.4 . . ? H5A_4 C5_4 H5B_4 108.0 . . ? C5_4 C6_4 C1_4 112.3(4) . . ? C5_4 C6_4 H6A_4 109.1 . . ? C1_4 C6_4 H6A_4 109.1 . . ? C5_4 C6_4 H6B_4 109.1 . . ? C1_4 C6_4 H6B_4 109.1 . . ? H6A_4 C6_4 H6B_4 107.9 . . ? C2_5 C1_5 C6_5 109.1(4) . . ? C2_5 C1_5 P1 117.4(4) . . ? C6_5 C1_5 P1 110.0(3) . . ? C1_5 C2_5 C3_5 111.4(4) . . ? C1_5 C2_5 H2A_5 109.3 . . ? C3_5 C2_5 H2A_5 109.3 . . ? C1_5 C2_5 H2B_5 109.3 . . ? C3_5 C2_5 H2B_5 109.3 . . ? H2A_5 C2_5 H2B_5 108.0 . . ? C4_5 C3_5 C2_5 112.0(4) . . ? C4_5 C3_5 H3A_5 109.2 . . ? C2_5 C3_5 H3A_5 109.2 . . ? C4_5 C3_5 H3B_5 109.2 . . ? C2_5 C3_5 H3B_5 109.2 . . ? H3A_5 C3_5 H3B_5 107.9 . . ? C3_5 C4_5 C5_5 110.8(5) . . ? C3_5 C4_5 H4A_5 109.5 . . ? C5_5 C4_5 H4A_5 109.5 . . ? C3_5 C4_5 H4B_5 109.5 . . ? C5_5 C4_5 H4B_5 109.5 . . ? H4A_5 C4_5 H4B_5 108.1 . . ? C4_5 C5_5 C6_5 110.8(4) . . ? C4_5 C5_5 H5A_5 109.5 . . ? C6_5 C5_5 H5A_5 109.5 . . ? C4_5 C5_5 H5B_5 109.5 . . ? C6_5 C5_5 H5B_5 109.5 . . ? H5A_5 C5_5 H5B_5 108.1 . . ? C5_5 C6_5 C1_5 110.8(4) . . ? C5_5 C6_5 H6A_5 109.5 . . ? C1_5 C6_5 H6A_5 109.5 . . ? C5_5 C6_5 H6B_5 109.5 . . ? C1_5 C6_5 H6B_5 109.5 . . ? H6A_5 C6_5 H6B_5 108.1 . . ? C6_6 C1_6 C2_6 110.2(4) . . ? C6_6 C1_6 P1 117.6(3) . . ? C2_6 C1_6 P1 113.8(3) . . ? C6_6 C1_6 H1_6 104.6 . . ? C2_6 C1_6 H1_6 104.6 . . ? P1 C1_6 H1_6 104.6 . . ? C3_6 C2_6 C1_6 110.0(4) . . ? C3_6 C2_6 H2A_6 109.7 . . ? C1_6 C2_6 H2A_6 109.7 . . ? C3_6 C2_6 H2B_6 109.7 . . ? C1_6 C2_6 H2B_6 109.7 . . ? H2A_6 C2_6 H2B_6 108.2 . . ? C2_6 C3_6 C4_6 111.4(4) . . ? C2_6 C3_6 H3A_6 109.4 . . ? C4_6 C3_6 H3A_6 109.4 . . ? C2_6 C3_6 H3B_6 109.4 . . ? C4_6 C3_6 H3B_6 109.4 . . ? H3A_6 C3_6 H3B_6 108.0 . . ? C5_6 C4_6 C3_6 110.2(5) . . ? C5_6 C4_6 H4A_6 109.6 . . ? C3_6 C4_6 H4A_6 109.6 . . ? C5_6 C4_6 H4B_6 109.6 . . ? C3_6 C4_6 H4B_6 109.6 . . ? H4A_6 C4_6 H4B_6 108.1 . . ? C4_6 C5_6 C6_6 112.1(5) . . ? C4_6 C5_6 H5A_6 109.2 . . ? C6_6 C5_6 H5A_6 109.2 . . ? C4_6 C5_6 H5B_6 109.2 . . ? C6_6 C5_6 H5B_6 109.2 . . ? H5A_6 C5_6 H5B_6 107.9 . . ? C5_6 C6_6 C1_6 109.4(4) . . ? C5_6 C6_6 H6A_6 109.8 . . ? C1_6 C6_6 H6A_6 109.8 . . ? C5_6 C6_6 H6B_6 109.8 . . ? C1_6 C6_6 H6B_6 109.8 . . ? H6A_6 C6_6 H6B_6 108.2 . . ? 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 C1 Pt1 Fe1 C2 -43.9(3) . . . . ? B2 Pt1 Fe1 C2 152.8(3) . . . . ? B1 Pt1 Fe1 C2 -25.5(3) . . . . ? P1 Pt1 Fe1 C2 133.8(2) . . . . ? C1 Pt1 Fe1 C3 -163.4(3) . . . . ? B2 Pt1 Fe1 C3 33.4(3) . . . . ? B1 Pt1 Fe1 C3 -145.0(3) . . . . ? P1 Pt1 Fe1 C3 14.3(2) . . . . ? C1 Pt1 Fe1 C4 78.2(3) . . . . ? B2 Pt1 Fe1 C4 -85.0(3) . . . . ? B1 Pt1 Fe1 C4 96.6(3) . . . . ? P1 Pt1 Fe1 C4 -104.1(2) . . . . ? C1 Pt1 Fe1 B1 -18.4(3) . . . . ? B2 Pt1 Fe1 B1 178.4(3) . . . . ? P1 Pt1 Fe1 B1 159.3(2) . . . . ? C1 Pt1 Fe1 B2 163.2(3) . . . . ? B1 Pt1 Fe1 B2 -178.4(3) . . . . ? P1 Pt1 Fe1 B2 -19.1(2) . . . . ? C2 Fe1 B1 N1 -20.4(8) . . . . ? C3 Fe1 B1 N1 -94.6(9) . . . . ? C4 Fe1 B1 N1 75.2(9) . . . . ? B2 Fe1 B1 N1 -178.3(8) . . . . ? Pt1 Fe1 B1 N1 -179.6(9) . . . . ? C2 Fe1 B1 Pt1 159.2(3) . . . . ? C3 Fe1 B1 Pt1 85.1(5) . . . . ? C4 Fe1 B1 Pt1 -105.2(2) . . . . ? B2 Fe1 B1 Pt1 1.4(3) . . . . ? C1 Pt1 B1 N1 -15.6(6) . . . . ? B2 Pt1 B1 N1 178.5(6) . . . . ? P1 Pt1 B1 N1 40.6(10) . . . . ? Fe1 Pt1 B1 N1 179.7(7) . . . . ? C1 Pt1 B1 Fe1 164.7(2) . . . . ? B2 Pt1 B1 Fe1 -1.2(2) . . . . ? P1 Pt1 B1 Fe1 -139.1(4) . . . . ? Fe1 B1 N1 Si1_2 98.2(8) . . . . ? Pt1 B1 N1 Si1_2 -81.3(6) . . . . ? Fe1 B1 N1 Si1_1 -77.8(9) . . . . ? Pt1 B1 N1 Si1_1 102.7(5) . . . . ? C2 Fe1 B2 C1_3 93.4(9) . . . . ? C3 Fe1 B2 C1_3 41.8(6) . . . . ? C4 Fe1 B2 C1_3 -58.0(7) . . . . ? B1 Fe1 B2 C1_3 -170.4(6) . . . . ? Pt1 Fe1 B2 C1_3 -169.1(8) . . . . ? C2 Fe1 B2 Pt1 -97.6(7) . . . . ? C3 Fe1 B2 Pt1 -149.2(3) . . . . ? C4 Fe1 B2 Pt1 111.0(2) . . . . ? B1 Fe1 B2 Pt1 -1.4(3) . . . . ? C1 Pt1 B2 C1_3 100.8(10) . . . . ? B1 Pt1 B2 C1_3 170.4(6) . . . . ? P1 Pt1 B2 C1_3 -21.8(6) . . . . ? Fe1 Pt1 B2 C1_3 169.2(7) . . . . ? C1 Pt1 B2 Fe1 -68.4(10) . . . . ? B1 Pt1 B2 Fe1 1.2(2) . . . . ? P1 Pt1 B2 Fe1 169.01(13) . . . . ? C1 Pt1 P1 C1_4 80.4(2) . . . . ? B2 Pt1 P1 C1_4 -112.0(2) . . . . ? B1 Pt1 P1 C1_4 25.7(5) . . . . ? Fe1 Pt1 P1 C1_4 -97.69(18) . . . . ? C1 Pt1 P1 C1_6 -31.7(3) . . . . ? B2 Pt1 P1 C1_6 135.9(3) . . . . ? B1 Pt1 P1 C1_6 -86.4(6) . . . . ? Fe1 Pt1 P1 C1_6 150.19(18) . . . . ? C1 Pt1 P1 C1_5 -161.0(3) . . . . ? B2 Pt1 P1 C1_5 6.5(3) . . . . ? B1 Pt1 P1 C1_5 144.3(5) . . . . ? Fe1 Pt1 P1 C1_5 20.9(2) . . . . ? B1 N1 Si1_1 C4_1 -25.4(5) . . . . ? Si1_2 N1 Si1_1 C4_1 158.9(3) . . . . ? B1 N1 Si1_1 C2_1 -143.0(4) . . . . ? Si1_2 N1 Si1_1 C2_1 41.3(4) . . . . ? B1 N1 Si1_1 C3_1 94.6(4) . . . . ? Si1_2 N1 Si1_1 C3_1 -81.1(3) . . . . ? B1 N1 Si1_2 C4_2 -12.8(5) . . . . ? Si1_1 N1 Si1_2 C4_2 162.9(3) . . . . ? B1 N1 Si1_2 C2_2 -131.6(4) . . . . ? Si1_1 N1 Si1_2 C2_2 44.0(4) . . . . ? B1 N1 Si1_2 C3_2 107.6(4) . . . . ? Si1_1 N1 Si1_2 C3_2 -76.7(4) . . . . ? Fe1 B2 C1_3 C2_3 -92.7(7) . . . . ? Pt1 B2 C1_3 C2_3 104.1(7) . . . . ? Fe1 B2 C1_3 C6_3 82.6(7) . . . . ? Pt1 B2 C1_3 C6_3 -80.6(7) . . . . ? C6_3 C1_3 C2_3 C3_3 -3.7(7) . . . . ? B2 C1_3 C2_3 C3_3 171.5(4) . . . . ? C6_3 C1_3 C2_3 C7_3 176.2(4) . . . . ? B2 C1_3 C2_3 C7_3 -8.6(7) . . . . ? C1_3 C2_3 C3_3 C4_3 2.9(7) . . . . ? C7_3 C2_3 C3_3 C4_3 -177.0(4) . . . . ? C1_3 C2_3 C3_3 C8_3 -178.8(4) . . . . ? C7_3 C2_3 C3_3 C8_3 1.3(7) . . . . ? C2_3 C3_3 C4_3 C5_3 -0.5(7) . . . . ? C8_3 C3_3 C4_3 C5_3 -178.8(5) . . . . ? C3_3 C4_3 C5_3 C6_3 -1.0(7) . . . . ? C3_3 C4_3 C5_3 C9_3 175.1(4) . . . . ? C4_3 C5_3 C6_3 C1_3 0.2(7) . . . . ? C9_3 C5_3 C6_3 C1_3 -175.9(4) . . . . ? C4_3 C5_3 C6_3 C10_3 179.5(4) . . . . ? C9_3 C5_3 C6_3 C10_3 3.4(7) . . . . ? C2_3 C1_3 C6_3 C5_3 2.1(7) . . . . ? B2 C1_3 C6_3 C5_3 -173.3(4) . . . . ? C2_3 C1_3 C6_3 C10_3 -177.2(4) . . . . ? B2 C1_3 C6_3 C10_3 7.4(7) . . . . ? C1_6 P1 C1_4 C6_4 55.1(4) . . . . ? C1_5 P1 C1_4 C6_4 169.9(4) . . . . ? Pt1 P1 C1_4 C6_4 -59.6(4) . . . . ? C1_6 P1 C1_4 C2_4 179.5(4) . . . . ? C1_5 P1 C1_4 C2_4 -65.7(4) . . . . ? Pt1 P1 C1_4 C2_4 64.8(4) . . . . ? C6_4 C1_4 C2_4 C3_4 -53.6(6) . . . . ? P1 C1_4 C2_4 C3_4 179.6(4) . . . . ? C1_4 C2_4 C3_4 C4_4 56.1(6) . . . . ? C2_4 C3_4 C4_4 C5_4 -57.2(6) . . . . ? C3_4 C4_4 C5_4 C6_4 56.7(6) . . . . ? C4_4 C5_4 C6_4 C1_4 -55.4(6) . . . . ? C2_4 C1_4 C6_4 C5_4 53.1(6) . . . . ? P1 C1_4 C6_4 C5_4 177.2(4) . . . . ? C1_4 P1 C1_5 C2_5 -35.0(4) . . . . ? C1_6 P1 C1_5 C2_5 76.3(4) . . . . ? Pt1 P1 C1_5 C2_5 -154.8(3) . . . . ? C1_4 P1 C1_5 C6_5 -160.6(3) . . . . ? C1_6 P1 C1_5 C6_5 -49.2(4) . . . . ? Pt1 P1 C1_5 C6_5 79.6(3) . . . . ? C6_5 C1_5 C2_5 C3_5 -56.3(5) . . . . ? P1 C1_5 C2_5 C3_5 177.8(4) . . . . ? C1_5 C2_5 C3_5 C4_5 55.9(6) . . . . ? C2_5 C3_5 C4_5 C5_5 -54.9(6) . . . . ? C3_5 C4_5 C5_5 C6_5 56.1(6) . . . . ? C4_5 C5_5 C6_5 C1_5 -58.1(5) . . . . ? C2_5 C1_5 C6_5 C5_5 57.8(5) . . . . ? P1 C1_5 C6_5 C5_5 -172.1(3) . . . . ? C1_4 P1 C1_6 C6_6 60.8(5) . . . . ? C1_5 P1 C1_6 C6_6 -49.7(5) . . . . ? Pt1 P1 C1_6 C6_6 173.9(4) . . . . ? C1_4 P1 C1_6 C2_6 -168.1(4) . . . . ? C1_5 P1 C1_6 C2_6 81.4(4) . . . . ? Pt1 P1 C1_6 C2_6 -55.0(4) . . . . ? C6_6 C1_6 C2_6 C3_6 -58.7(6) . . . . ? P1 C1_6 C2_6 C3_6 166.7(4) . . . . ? C1_6 C2_6 C3_6 C4_6 57.2(6) . . . . ? C2_6 C3_6 C4_6 C5_6 -55.6(6) . . . . ? C3_6 C4_6 C5_6 C6_6 56.0(6) . . . . ? C4_6 C5_6 C6_6 C1_6 -57.6(6) . . . . ? C2_6 C1_6 C6_6 C5_6 58.3(6) . . . . ? P1 C1_6 C6_6 C5_6 -169.0(4) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 26.37 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.241 _refine_diff_density_min -2.227 _refine_diff_density_rms 0.151 _database_code_depnum_ccdc_archive 'CCDC 940840'