# Electronic Supplementary Material (ESI) for Dalton Transactions # 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_1_CHCl3 #TrackingRef '1-CHCl3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C40 H41 N2 Pt Si2, C H Cl3' _chemical_formula_sum 'C41 H42 Cl3 N2 Pt Si2' _chemical_formula_weight 920.39 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' N N 0.0061 0.0033 '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' Cl Cl 0.1484 0.1585 '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 12.3245(5) _cell_length_b 18.1803(7) _cell_length_c 19.7378(8) _cell_angle_alpha 88.681(2) _cell_angle_beta 74.458(2) _cell_angle_gamma 79.431(2) _cell_volume 4186.9(3) _cell_formula_units_Z 4 _cell_measurement_temperature 210(2) _cell_measurement_reflns_used 7187 _cell_measurement_theta_min 2.39 _cell_measurement_theta_max 29.38 _exptl_crystal_description needle _exptl_crystal_colour orange _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.460 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1836 _exptl_absorpt_coefficient_mu 3.629 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.5915 _exptl_absorpt_correction_T_max 0.708 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 210(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 'Bruker Smart APEX II' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 49631 _diffrn_reflns_av_R_equivalents 0.0444 _diffrn_reflns_av_sigmaI/netI 0.0487 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 2.14 _diffrn_reflns_theta_max 25.00 _reflns_number_total 14723 _reflns_number_gt 12480 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0458P)^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 14723 _refine_ls_number_parameters 899 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0403 _refine_ls_R_factor_gt 0.0314 _refine_ls_wR_factor_ref 0.0864 _refine_ls_wR_factor_gt 0.0824 _refine_ls_goodness_of_fit_ref 1.090 _refine_ls_restrained_S_all 1.090 _refine_ls_shift/su_max 0.003 _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 0.481766(11) 0.512965(7) 0.109195(7) 0.02393(6) Uani 1 1 d . . . Pt2 Pt 0.840789(11) 0.076544(8) 0.073956(8) 0.02447(6) Uani 1 1 d . . . Si1 Si 1.01193(11) 0.64189(7) -0.19698(7) 0.0423(3) Uani 1 1 d . . . Si2 Si 0.28710(13) 0.15854(8) 0.36191(8) 0.0543(4) Uani 1 1 d . . . Si3 Si 1.10264(11) 0.08961(8) -0.35675(7) 0.0454(3) Uani 1 1 d . . . Si4 Si 0.46790(11) -0.15271(7) 0.40400(7) 0.0400(3) Uani 1 1 d . . . N1 N 0.6370(2) 0.47759(16) 0.03579(16) 0.0243(7) Uani 1 1 d . . . N2 N 0.5103(2) 0.39973(16) 0.12796(16) 0.0232(7) Uani 1 1 d . . . N3 N 0.8636(2) 0.02352(17) -0.02212(17) 0.0265(7) Uani 1 1 d . . . N4 N 0.7648(3) -0.01603(17) 0.10649(17) 0.0252(7) Uani 1 1 d . . . C01 C 0.2918(4) 0.7328(3) 0.2278(3) 0.0493(12) Uani 1 1 d . . . H01 H 0.3434 0.6889 0.2019 0.059 Uiso 1 1 calc R . . Cl1 Cl 0.24439(18) 0.70973(10) 0.31593(9) 0.0891(5) Uani 1 1 d . . . Cl2 Cl 0.17607(11) 0.75685(9) 0.19094(9) 0.0744(4) Uani 1 1 d . . . Cl3 Cl 0.36797(14) 0.80626(10) 0.22087(9) 0.0826(5) Uani 1 1 d . . . C02 C 0.4610(4) 0.4774(3) 0.3241(3) 0.0503(12) Uani 1 1 d . . . H02 H 0.4185 0.4969 0.2901 0.060 Uiso 1 1 calc R . . Cl4 Cl 0.41061(11) 0.39708(7) 0.36065(8) 0.0614(4) Uani 1 1 d . . . Cl5 Cl 0.43710(16) 0.54640(9) 0.38879(10) 0.0895(5) Uani 1 1 d . . . Cl6 Cl 0.60555(12) 0.45411(9) 0.27944(9) 0.0738(4) Uani 1 1 d . . . C1 C 0.9295(5) 0.7381(3) -0.1945(3) 0.0696(17) Uani 1 1 d . . . H1A H 0.9762 0.7689 -0.2248 0.104 Uiso 1 1 calc R . . H1B H 0.9070 0.7583 -0.1472 0.104 Uiso 1 1 calc R . . H1C H 0.8624 0.7372 -0.2101 0.104 Uiso 1 1 calc R . . C2 C 1.0650(6) 0.5993(4) -0.2853(3) 0.096(2) Uani 1 1 d . . . H2A H 1.1024 0.5485 -0.2828 0.144 Uiso 1 1 calc R . . H2B H 1.1185 0.6270 -0.3142 0.144 Uiso 1 1 calc R . . H2C H 1.0019 0.5999 -0.3053 0.144 Uiso 1 1 calc R . . C3 C 1.1350(4) 0.6437(4) -0.1598(3) 0.0683(16) Uani 1 1 d . . . H3A H 1.1719 0.5934 -0.1547 0.102 Uiso 1 1 calc R . . H3B H 1.1079 0.6690 -0.1146 0.102 Uiso 1 1 calc R . . H3C H 1.1887 0.6697 -0.1908 0.102 Uiso 1 1 calc R . . C4 C 0.9172(4) 0.5843(2) -0.1397(2) 0.0403(11) Uani 1 1 d . . . C5 C 0.8629(3) 0.5435(2) -0.1031(2) 0.0345(10) Uani 1 1 d . . . C6 C 0.6948(3) 0.5208(2) -0.0104(2) 0.0277(9) Uani 1 1 d . . . H6 H 0.6630 0.5713 -0.0113 0.033 Uiso 1 1 calc R . . C7 C 0.8007(3) 0.4937(2) -0.0574(2) 0.0285(9) Uani 1 1 d . . . C8 C 0.8441(3) 0.4166(2) -0.0576(2) 0.0339(10) Uani 1 1 d . . . H8 H 0.9135 0.3959 -0.0890 0.041 Uiso 1 1 calc R . . C9 C 0.7834(3) 0.3724(2) -0.0112(2) 0.0331(10) Uani 1 1 d . . . H9 H 0.8114 0.3213 -0.0111 0.040 Uiso 1 1 calc R . . C10 C 0.6803(3) 0.4032(2) 0.0357(2) 0.0253(8) Uani 1 1 d . . . C11 C 0.6119(3) 0.3605(2) 0.0889(2) 0.0241(8) Uani 1 1 d . . . C12 C 0.6462(3) 0.2858(2) 0.1015(2) 0.0319(9) Uani 1 1 d . . . H12 H 0.7168 0.2600 0.0752 0.038 Uiso 1 1 calc R . . C13 C 0.5780(3) 0.2496(2) 0.1519(2) 0.0324(9) Uani 1 1 d . . . H13 H 0.6016 0.1995 0.1604 0.039 Uiso 1 1 calc R . . C14 C 0.4728(3) 0.2886(2) 0.1903(2) 0.0274(9) Uani 1 1 d . . . C15 C 0.4415(3) 0.3641(2) 0.1770(2) 0.0291(9) Uani 1 1 d . . . H15 H 0.3710 0.3905 0.2028 0.035 Uiso 1 1 calc R . . C16 C 0.3990(3) 0.2529(2) 0.2451(2) 0.0333(9) Uani 1 1 d . . . C17 C 0.3460(4) 0.2174(2) 0.2898(2) 0.0401(11) Uani 1 1 d . . . C18 C 0.2368(7) 0.2183(4) 0.4421(4) 0.105(3) Uani 1 1 d . . . H18A H 0.2988 0.2398 0.4488 0.157 Uiso 1 1 calc R . . H18B H 0.2096 0.1887 0.4819 0.157 Uiso 1 1 calc R . . H18C H 0.1755 0.2575 0.4376 0.157 Uiso 1 1 calc R . . C19 C 0.1713(5) 0.1183(4) 0.3425(4) 0.090(2) Uani 1 1 d . . . H19A H 0.1137 0.1579 0.3340 0.135 Uiso 1 1 calc R . . H19B H 0.1378 0.0902 0.3819 0.135 Uiso 1 1 calc R . . H19C H 0.2022 0.0857 0.3016 0.135 Uiso 1 1 calc R . . C20 C 0.4077(6) 0.0826(3) 0.3672(3) 0.0785(19) Uani 1 1 d . . . H20A H 0.4225 0.0470 0.3292 0.118 Uiso 1 1 calc R . . H20B H 0.3879 0.0581 0.4112 0.118 Uiso 1 1 calc R . . H20C H 0.4749 0.1035 0.3638 0.118 Uiso 1 1 calc R . . C21 C 0.4729(3) 0.6175(2) 0.0812(2) 0.0306(9) Uani 1 1 d . . . C22 C 0.4805(3) 0.6775(2) 0.0552(2) 0.0324(9) Uani 1 1 d . . . C23 C 0.4963(3) 0.7456(2) 0.0181(2) 0.0322(9) Uani 1 1 d . . . C24 C 0.5949(3) 0.7480(2) -0.0365(2) 0.0337(10) Uani 1 1 d . . . H24 H 0.6523 0.7057 -0.0476 0.040 Uiso 1 1 calc R . . C25 C 0.6083(3) 0.8124(2) -0.0742(2) 0.0364(10) Uani 1 1 d . . . H25 H 0.6733 0.8122 -0.1114 0.044 Uiso 1 1 calc R . . C26 C 0.5255(4) 0.8775(2) -0.0571(3) 0.0413(11) Uani 1 1 d . . . C27 C 0.4287(4) 0.8744(2) -0.0038(3) 0.0435(12) Uani 1 1 d . . . H27 H 0.3719 0.9170 0.0079 0.052 Uiso 1 1 calc R . . C28 C 0.4131(4) 0.8105(2) 0.0327(3) 0.0411(11) Uani 1 1 d . . . H28 H 0.3457 0.8104 0.0679 0.049 Uiso 1 1 calc R . . C29 C 0.5428(4) 0.9501(3) -0.0941(3) 0.0561(14) Uani 1 1 d . . . H29 H 0.5300 0.9952 -0.0694 0.067 Uiso 1 1 calc R . . C30 C 0.5801(6) 0.9452(3) -0.1694(3) 0.081(2) Uani 1 1 d . . . H30A H 0.6527 0.9118 -0.1840 0.122 Uiso 1 1 calc R . . H30B H 0.5879 0.9939 -0.1876 0.122 Uiso 1 1 calc R . . H30C H 0.5247 0.9264 -0.1871 0.122 Uiso 1 1 calc R . . C31 C 0.3365(3) 0.5360(2) 0.1822(2) 0.0299(9) Uani 1 1 d . . . C32 C 0.2474(3) 0.5435(2) 0.2276(2) 0.0307(9) Uani 1 1 d . . . C33 C 0.1399(3) 0.5523(2) 0.2814(2) 0.0321(9) Uani 1 1 d . . . C34 C 0.0418(4) 0.5964(2) 0.2712(3) 0.0472(12) Uani 1 1 d . . . H34 H 0.0444 0.6198 0.2285 0.057 Uiso 1 1 calc R . . C35 C -0.0605(4) 0.6064(3) 0.3240(3) 0.0536(14) Uani 1 1 d . . . H35 H -0.1253 0.6361 0.3156 0.064 Uiso 1 1 calc R . . C36 C -0.0691(4) 0.5743(3) 0.3874(3) 0.0479(12) Uani 1 1 d . . . C37 C 0.0269(4) 0.5291(4) 0.3972(3) 0.079(2) Uani 1 1 d . . . H37 H 0.0231 0.5054 0.4399 0.095 Uiso 1 1 calc R . . C38 C 0.1295(4) 0.5178(4) 0.3454(3) 0.0655(17) Uani 1 1 d . . . H38 H 0.1928 0.4864 0.3537 0.079 Uiso 1 1 calc R . . C39 C -0.1829(4) 0.5854(4) 0.4446(3) 0.0724(18) Uani 1 1 d . . . H39A H -0.1688 0.5662 0.4884 0.087 Uiso 1 1 calc R . . H39B H -0.2133 0.6386 0.4519 0.087 Uiso 1 1 calc R . . C40 C -0.2700(5) 0.5481(5) 0.4280(4) 0.111(3) Uani 1 1 d . . . H40A H -0.2818 0.5648 0.3836 0.166 Uiso 1 1 calc R . . H40B H -0.3408 0.5604 0.4641 0.166 Uiso 1 1 calc R . . H40C H -0.2440 0.4949 0.4254 0.166 Uiso 1 1 calc R . . C41 C 1.1344(5) 0.1832(3) -0.3441(3) 0.0656(16) Uani 1 1 d . . . H41A H 1.0646 0.2166 -0.3217 0.098 Uiso 1 1 calc R . . H41B H 1.1686 0.2022 -0.3890 0.098 Uiso 1 1 calc R . . H41C H 1.1864 0.1793 -0.3151 0.098 Uiso 1 1 calc R . . C42 C 1.2364(5) 0.0217(3) -0.3953(3) 0.077(2) Uani 1 1 d . . . H42A H 1.2889 0.0218 -0.3671 0.115 Uiso 1 1 calc R . . H42B H 1.2706 0.0357 -0.4423 0.115 Uiso 1 1 calc R . . H42C H 1.2189 -0.0275 -0.3964 0.115 Uiso 1 1 calc R . . C43 C 1.0016(6) 0.0929(5) -0.4121(3) 0.106(3) Uani 1 1 d . . . H43A H 0.9889 0.0433 -0.4185 0.159 Uiso 1 1 calc R . . H43B H 1.0334 0.1127 -0.4570 0.159 Uiso 1 1 calc R . . H43C H 0.9300 0.1244 -0.3893 0.159 Uiso 1 1 calc R . . C44 C 1.0327(4) 0.0571(2) -0.2695(2) 0.0406(11) Uani 1 1 d . . . C45 C 0.9864(4) 0.0354(2) -0.2135(2) 0.0357(10) Uani 1 1 d . . . C46 C 0.9149(3) 0.0473(2) -0.0852(2) 0.0312(9) Uani 1 1 d . . . H46 H 0.9407 0.0925 -0.0878 0.037 Uiso 1 1 calc R . . C47 C 0.9310(3) 0.0068(2) -0.1468(2) 0.0332(10) Uani 1 1 d . . . C48 C 0.8923(4) -0.0602(2) -0.1431(2) 0.0352(10) Uani 1 1 d . . . H48 H 0.9016 -0.0884 -0.1837 0.042 Uiso 1 1 calc R . . C49 C 0.8390(3) -0.0847(2) -0.0774(2) 0.0323(9) Uani 1 1 d . . . H49 H 0.8132 -0.1299 -0.0737 0.039 Uiso 1 1 calc R . . C50 C 0.8243(3) -0.04212(19) -0.0179(2) 0.0243(8) Uani 1 1 d . . . C51 C 0.7663(3) -0.0627(2) 0.0535(2) 0.0259(8) Uani 1 1 d . . . C52 C 0.7129(3) -0.1242(2) 0.0663(2) 0.0309(9) Uani 1 1 d . . . H52 H 0.7135 -0.1552 0.0293 0.037 Uiso 1 1 calc R . . C53 C 0.6584(3) -0.1388(2) 0.1350(2) 0.0318(9) Uani 1 1 d . . . H53 H 0.6215 -0.1796 0.1445 0.038 Uiso 1 1 calc R . . C54 C 0.6591(3) -0.0922(2) 0.1896(2) 0.0313(9) Uani 1 1 d . . . C55 C 0.7136(3) -0.0309(2) 0.1728(2) 0.0294(9) Uani 1 1 d . . . H55 H 0.7143 0.0008 0.2089 0.035 Uiso 1 1 calc R . . C56 C 0.6011(3) -0.1064(2) 0.2610(2) 0.0339(10) Uani 1 1 d . . . C57 C 0.5499(4) -0.1227(2) 0.3183(2) 0.0380(10) Uani 1 1 d . . . C58 C 0.5078(5) -0.1108(4) 0.4756(3) 0.0679(16) Uani 1 1 d . . . H58A H 0.5859 -0.1315 0.4740 0.102 Uiso 1 1 calc R . . H58B H 0.4587 -0.1213 0.5200 0.102 Uiso 1 1 calc R . . H58C H 0.4996 -0.0576 0.4702 0.102 Uiso 1 1 calc R . . C59 C 0.3138(4) -0.1197(3) 0.4124(3) 0.0563(14) Uani 1 1 d . . . H59A H 0.3000 -0.0669 0.4047 0.084 Uiso 1 1 calc R . . H59B H 0.2702 -0.1295 0.4588 0.084 Uiso 1 1 calc R . . H59C H 0.2911 -0.1456 0.3782 0.084 Uiso 1 1 calc R . . C60 C 0.5089(5) -0.2562(3) 0.4046(3) 0.0681(16) Uani 1 1 d . . . H60A H 0.4791 -0.2784 0.3715 0.102 Uiso 1 1 calc R . . H60B H 0.4780 -0.2735 0.4508 0.102 Uiso 1 1 calc R . . H60C H 0.5909 -0.2702 0.3918 0.102 Uiso 1 1 calc R . . C61 C 0.9191(3) 0.1563(2) 0.0315(2) 0.0283(9) Uani 1 1 d . . . C62 C 0.9749(3) 0.1997(2) -0.0028(2) 0.0316(9) Uani 1 1 d . . . C63 C 1.0447(3) 0.2473(2) -0.0473(2) 0.0292(9) Uani 1 1 d . . . C64 C 1.0669(3) 0.2429(2) -0.1202(2) 0.0324(9) Uani 1 1 d . . . H64 H 1.0357 0.2093 -0.1405 0.039 Uiso 1 1 calc R . . C65 C 1.1341(4) 0.2875(2) -0.1624(2) 0.0385(10) Uani 1 1 d . . . H65 H 1.1480 0.2829 -0.2110 0.046 Uiso 1 1 calc R . . C66 C 1.1818(4) 0.3392(2) -0.1347(2) 0.0384(10) Uani 1 1 d . . . C67 C 1.1597(4) 0.3428(3) -0.0624(3) 0.0470(12) Uani 1 1 d . . . H67 H 1.1909 0.3765 -0.0420 0.056 Uiso 1 1 calc R . . C68 C 1.0927(4) 0.2980(2) -0.0192(2) 0.0417(11) Uani 1 1 d . . . H68 H 1.0798 0.3020 0.0293 0.050 Uiso 1 1 calc R . . C69 C 1.2577(4) 0.3870(3) -0.1813(3) 0.0549(13) Uani 1 1 d . . . H69A H 1.2218 0.4083 -0.2172 0.066 Uiso 1 1 calc R . . H69B H 1.2653 0.4280 -0.1533 0.066 Uiso 1 1 calc R . . C70 C 1.3743(5) 0.3434(3) -0.2159(3) 0.0749(18) Uani 1 1 d . . . H70A H 1.4135 0.3270 -0.1808 0.112 Uiso 1 1 calc R . . H70B H 1.4171 0.3746 -0.2483 0.112 Uiso 1 1 calc R . . H70C H 1.3670 0.3007 -0.2409 0.112 Uiso 1 1 calc R . . C71 C 0.8150(3) 0.1205(2) 0.1682(2) 0.0302(9) Uani 1 1 d . . . C72 C 0.7995(3) 0.1472(2) 0.2255(2) 0.0323(9) Uani 1 1 d . . . C73 C 0.7876(4) 0.1815(2) 0.2929(2) 0.0349(10) Uani 1 1 d . . . C74 C 0.8629(4) 0.1554(3) 0.3334(2) 0.0400(10) Uani 1 1 d . . . H74 H 0.9182 0.1127 0.3183 0.048 Uiso 1 1 calc R . . C75 C 0.8574(4) 0.1913(3) 0.3956(3) 0.0476(12) Uani 1 1 d . . . H75 H 0.9090 0.1722 0.4212 0.057 Uiso 1 1 calc R . . C76 C 0.7766(4) 0.2554(3) 0.4205(2) 0.0436(11) Uani 1 1 d . . . C77 C 0.7011(4) 0.2800(3) 0.3817(3) 0.0522(13) Uani 1 1 d . . . H77 H 0.6452 0.3223 0.3976 0.063 Uiso 1 1 calc R . . C78 C 0.7043(4) 0.2445(3) 0.3197(2) 0.0478(12) Uani 1 1 d . . . H78 H 0.6501 0.2628 0.2956 0.057 Uiso 1 1 calc R . . C79 C 0.7750(5) 0.2965(3) 0.4860(3) 0.0653(16) Uani 1 1 d . . . H79 H 0.7109 0.3042 0.5245 0.078 Uiso 1 1 calc R . . C80 C 0.8790(7) 0.3238(5) 0.4860(4) 0.116(3) Uani 1 1 d . . . H80A H 0.9407 0.2820 0.4827 0.174 Uiso 1 1 calc R . . H80B H 0.8667 0.3520 0.5288 0.174 Uiso 1 1 calc R . . H80C H 0.8982 0.3553 0.4465 0.174 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 0.02617(9) 0.02288(9) 0.02215(10) -0.00049(6) -0.00475(7) -0.00547(6) Pt2 0.02450(9) 0.02519(9) 0.02253(10) -0.00215(6) -0.00338(6) -0.00561(6) Si1 0.0536(7) 0.0375(7) 0.0305(7) -0.0010(5) 0.0058(6) -0.0199(6) Si2 0.0679(9) 0.0565(9) 0.0388(8) 0.0169(7) -0.0061(7) -0.0263(7) Si3 0.0490(7) 0.0600(8) 0.0254(7) 0.0030(6) -0.0002(6) -0.0206(6) Si4 0.0451(7) 0.0483(7) 0.0272(7) 0.0020(5) -0.0021(5) -0.0211(6) N1 0.0252(15) 0.0266(16) 0.0215(18) -0.0020(13) -0.0056(13) -0.0070(13) N2 0.0275(16) 0.0261(16) 0.0163(16) -0.0056(13) -0.0059(13) -0.0049(13) N3 0.0268(16) 0.0281(17) 0.0245(18) 0.0004(14) -0.0071(14) -0.0047(13) N4 0.0248(16) 0.0294(17) 0.0215(18) -0.0013(14) -0.0059(14) -0.0058(13) C01 0.052(3) 0.055(3) 0.043(3) -0.010(2) -0.012(2) -0.013(2) Cl1 0.1470(16) 0.0865(11) 0.0502(9) -0.0027(8) -0.0256(10) -0.0638(11) Cl2 0.0472(7) 0.0822(10) 0.0952(13) 0.0166(9) -0.0217(8) -0.0133(7) Cl3 0.0861(10) 0.1029(12) 0.0654(11) -0.0165(9) -0.0031(8) -0.0571(9) C02 0.049(3) 0.050(3) 0.052(3) -0.004(2) -0.014(2) -0.007(2) Cl4 0.0608(8) 0.0550(8) 0.0688(10) 0.0036(7) -0.0154(7) -0.0152(6) Cl5 0.1076(13) 0.0673(10) 0.0905(13) -0.0329(9) -0.0169(10) -0.0184(9) Cl6 0.0532(8) 0.0813(10) 0.0769(11) 0.0081(8) -0.0035(7) -0.0083(7) C1 0.070(4) 0.053(3) 0.080(5) 0.026(3) -0.008(3) -0.018(3) C2 0.137(6) 0.111(5) 0.038(4) -0.015(4) 0.018(4) -0.077(5) C3 0.050(3) 0.092(4) 0.057(4) 0.009(3) 0.001(3) -0.025(3) C4 0.050(3) 0.039(2) 0.028(2) -0.004(2) 0.001(2) -0.015(2) C5 0.038(2) 0.036(2) 0.027(2) -0.0048(19) -0.0014(19) -0.0097(18) C6 0.032(2) 0.028(2) 0.024(2) 0.0020(16) -0.0086(17) -0.0072(16) C7 0.031(2) 0.033(2) 0.024(2) -0.0011(17) -0.0072(17) -0.0123(17) C8 0.029(2) 0.035(2) 0.030(2) -0.0012(18) 0.0038(18) -0.0044(17) C9 0.029(2) 0.024(2) 0.044(3) 0.0069(18) -0.0087(19) -0.0032(16) C10 0.0266(19) 0.027(2) 0.023(2) 0.0011(16) -0.0047(16) -0.0089(15) C11 0.0253(18) 0.027(2) 0.022(2) -0.0025(16) -0.0062(16) -0.0078(15) C12 0.029(2) 0.027(2) 0.039(3) 0.0023(18) -0.0086(18) -0.0058(16) C13 0.037(2) 0.027(2) 0.038(3) 0.0052(18) -0.0158(19) -0.0091(17) C14 0.036(2) 0.028(2) 0.023(2) -0.0003(16) -0.0104(17) -0.0114(16) C15 0.028(2) 0.032(2) 0.025(2) 0.0023(17) -0.0024(17) -0.0086(16) C16 0.037(2) 0.031(2) 0.031(2) -0.0014(18) -0.0073(19) -0.0087(18) C17 0.047(3) 0.038(2) 0.037(3) 0.008(2) -0.010(2) -0.015(2) C18 0.134(6) 0.092(5) 0.059(5) 0.007(4) 0.021(4) -0.017(5) C19 0.081(4) 0.107(5) 0.087(5) 0.030(4) -0.008(4) -0.055(4) C20 0.119(5) 0.058(4) 0.071(5) 0.016(3) -0.046(4) -0.021(4) C21 0.030(2) 0.029(2) 0.033(2) -0.0035(18) -0.0085(18) -0.0043(17) C22 0.035(2) 0.028(2) 0.034(2) -0.0022(18) -0.0095(18) -0.0033(17) C23 0.039(2) 0.024(2) 0.039(3) -0.0006(18) -0.018(2) -0.0073(17) C24 0.039(2) 0.024(2) 0.039(3) -0.0017(18) -0.014(2) -0.0022(17) C25 0.036(2) 0.037(2) 0.042(3) 0.005(2) -0.016(2) -0.0131(18) C26 0.046(3) 0.028(2) 0.057(3) 0.007(2) -0.024(2) -0.0103(19) C27 0.038(2) 0.025(2) 0.065(3) 0.006(2) -0.017(2) 0.0014(18) C28 0.041(2) 0.030(2) 0.051(3) -0.003(2) -0.009(2) -0.0056(18) C29 0.060(3) 0.042(3) 0.062(4) 0.011(3) -0.012(3) -0.005(2) C30 0.103(5) 0.060(4) 0.071(5) 0.010(3) -0.015(4) -0.002(3) C31 0.030(2) 0.028(2) 0.030(2) 0.0001(17) -0.0080(19) -0.0029(16) C32 0.034(2) 0.033(2) 0.025(2) -0.0033(17) -0.0088(19) -0.0053(17) C33 0.032(2) 0.037(2) 0.028(2) -0.0078(18) -0.0041(18) -0.0119(17) C34 0.040(2) 0.045(3) 0.048(3) 0.014(2) -0.001(2) -0.003(2) C35 0.037(3) 0.047(3) 0.068(4) 0.005(3) -0.002(2) -0.004(2) C36 0.034(2) 0.069(3) 0.036(3) -0.012(2) 0.001(2) -0.013(2) C37 0.044(3) 0.162(7) 0.027(3) 0.020(4) -0.005(2) -0.017(4) C38 0.032(3) 0.119(5) 0.041(3) 0.018(3) -0.010(2) -0.002(3) C39 0.042(3) 0.114(5) 0.046(4) -0.016(3) 0.012(3) -0.010(3) C40 0.061(4) 0.158(7) 0.097(6) -0.020(5) 0.024(4) -0.044(4) C41 0.084(4) 0.056(3) 0.050(4) 0.010(3) -0.002(3) -0.019(3) C42 0.075(4) 0.064(4) 0.069(4) -0.018(3) 0.028(3) -0.024(3) C43 0.103(5) 0.190(8) 0.050(4) 0.033(5) -0.040(4) -0.065(5) C44 0.043(2) 0.041(2) 0.033(3) -0.001(2) -0.002(2) -0.009(2) C45 0.037(2) 0.038(2) 0.027(2) -0.0053(19) 0.0000(19) -0.0036(18) C46 0.031(2) 0.030(2) 0.030(2) 0.0047(18) -0.0043(18) -0.0073(16) C47 0.031(2) 0.035(2) 0.028(2) -0.0006(18) -0.0006(18) -0.0020(17) C48 0.042(2) 0.036(2) 0.028(2) -0.0088(18) -0.0078(19) -0.0091(19) C49 0.036(2) 0.031(2) 0.030(2) -0.0025(18) -0.0056(18) -0.0116(17) C50 0.0264(18) 0.0230(19) 0.024(2) -0.0030(15) -0.0076(16) -0.0037(15) C51 0.0239(18) 0.027(2) 0.026(2) -0.0010(16) -0.0056(16) -0.0039(15) C52 0.036(2) 0.028(2) 0.029(2) -0.0006(17) -0.0074(18) -0.0096(17) C53 0.034(2) 0.033(2) 0.029(2) 0.0010(18) -0.0058(18) -0.0125(17) C54 0.028(2) 0.034(2) 0.030(2) 0.0033(18) -0.0053(17) -0.0069(17) C55 0.031(2) 0.032(2) 0.026(2) -0.0024(17) -0.0066(17) -0.0093(16) C56 0.032(2) 0.038(2) 0.032(3) 0.0023(19) -0.0058(19) -0.0124(18) C57 0.043(2) 0.040(2) 0.035(3) 0.000(2) -0.010(2) -0.019(2) C58 0.070(4) 0.101(5) 0.038(3) 0.000(3) -0.011(3) -0.036(3) C59 0.051(3) 0.069(3) 0.047(3) -0.003(3) 0.000(2) -0.024(3) C60 0.081(4) 0.051(3) 0.064(4) 0.009(3) -0.001(3) -0.019(3) C61 0.0255(19) 0.030(2) 0.027(2) -0.0028(17) -0.0042(17) -0.0032(16) C62 0.030(2) 0.030(2) 0.033(2) -0.0049(18) -0.0079(18) -0.0012(17) C63 0.0270(19) 0.027(2) 0.032(2) -0.0001(17) -0.0044(17) -0.0057(16) C64 0.037(2) 0.031(2) 0.033(2) -0.0031(18) -0.0120(19) -0.0102(17) C65 0.044(2) 0.042(2) 0.030(2) 0.005(2) -0.008(2) -0.011(2) C66 0.041(2) 0.035(2) 0.039(3) 0.001(2) -0.005(2) -0.0125(19) C67 0.054(3) 0.050(3) 0.041(3) -0.006(2) -0.006(2) -0.029(2) C68 0.052(3) 0.047(3) 0.028(3) -0.007(2) -0.006(2) -0.020(2) C69 0.063(3) 0.054(3) 0.049(3) 0.009(3) -0.006(3) -0.029(3) C70 0.070(4) 0.080(4) 0.068(4) 0.006(3) 0.006(3) -0.036(3) C71 0.032(2) 0.030(2) 0.029(2) 0.0034(18) -0.0079(18) -0.0096(17) C72 0.034(2) 0.032(2) 0.030(3) -0.0019(18) -0.0074(18) -0.0061(17) C73 0.041(2) 0.032(2) 0.033(3) -0.0010(18) -0.0071(19) -0.0141(18) C74 0.048(3) 0.041(2) 0.031(3) -0.008(2) -0.009(2) -0.009(2) C75 0.051(3) 0.061(3) 0.034(3) 0.001(2) -0.013(2) -0.018(2) C76 0.058(3) 0.046(3) 0.027(3) -0.003(2) 0.001(2) -0.025(2) C77 0.064(3) 0.043(3) 0.041(3) -0.013(2) -0.004(2) -0.001(2) C78 0.055(3) 0.051(3) 0.034(3) -0.009(2) -0.013(2) 0.001(2) C79 0.084(4) 0.086(4) 0.030(3) -0.021(3) 0.003(3) -0.049(3) C80 0.146(7) 0.150(7) 0.069(5) -0.034(5) -0.016(5) -0.085(6) _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 C31 1.956(4) . ? Pt1 C21 1.958(4) . ? Pt1 N2 2.066(3) . ? Pt1 N1 2.069(3) . ? Pt2 C61 1.939(4) . ? Pt2 C71 1.965(4) . ? Pt2 N3 2.075(3) . ? Pt2 N4 2.080(3) . ? Si1 C2 1.826(6) . ? Si1 C1 1.850(5) . ? Si1 C4 1.851(4) . ? Si1 C3 1.860(6) . ? Si2 C17 1.833(4) . ? Si2 C18 1.838(7) . ? Si2 C19 1.846(6) . ? Si2 C20 1.857(6) . ? Si3 C44 1.844(5) . ? Si3 C41 1.851(6) . ? Si3 C42 1.856(5) . ? Si3 C43 1.856(6) . ? Si4 C58 1.839(6) . ? Si4 C59 1.847(5) . ? Si4 C57 1.851(5) . ? Si4 C60 1.857(5) . ? N1 C6 1.334(5) . ? N1 C10 1.360(4) . ? N2 C15 1.346(5) . ? N2 C11 1.361(4) . ? N3 C46 1.339(5) . ? N3 C50 1.361(5) . ? N4 C55 1.337(5) . ? N4 C51 1.356(5) . ? C01 Cl1 1.747(5) . ? C01 Cl2 1.751(5) . ? C01 Cl3 1.752(5) . ? C01 H01 0.9800 . ? C02 Cl6 1.740(5) . ? C02 Cl5 1.741(5) . ? C02 Cl4 1.755(5) . ? C02 H02 0.9800 . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C4 C5 1.191(6) . ? C5 C7 1.438(5) . ? C6 C7 1.395(5) . ? C6 H6 0.9300 . ? C7 C8 1.404(5) . ? C8 C9 1.366(6) . ? C8 H8 0.9300 . ? C9 C10 1.385(5) . ? C9 H9 0.9300 . ? C10 C11 1.464(5) . ? C11 C12 1.384(5) . ? C12 C13 1.361(5) . ? C12 H12 0.9300 . ? C13 C14 1.385(5) . ? C13 H13 0.9300 . ? C14 C15 1.394(5) . ? C14 C16 1.441(5) . ? C15 H15 0.9300 . ? C16 C17 1.200(6) . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 C22 1.204(5) . ? C22 C23 1.441(5) . ? C23 C28 1.393(5) . ? C23 C24 1.398(6) . ? C24 C25 1.384(6) . ? C24 H24 0.9300 . ? C25 C26 1.397(6) . ? C25 H25 0.9300 . ? C26 C27 1.372(6) . ? C26 C29 1.516(6) . ? C27 C28 1.369(6) . ? C27 H27 0.9300 . ? C28 H28 0.9300 . ? C29 C30 1.433(8) . ? C29 H29 0.9300 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 C32 1.205(5) . ? C32 C33 1.444(5) . ? C33 C38 1.382(6) . ? C33 C34 1.383(6) . ? C34 C35 1.390(6) . ? C34 H34 0.9300 . ? C35 C36 1.355(7) . ? C35 H35 0.9300 . ? C36 C37 1.368(7) . ? C36 C39 1.531(6) . ? C37 C38 1.381(7) . ? C37 H37 0.9300 . ? C38 H38 0.9300 . ? C39 C40 1.478(9) . ? C39 H39A 0.9700 . ? C39 H39B 0.9700 . ? C40 H40A 0.9600 . ? C40 H40B 0.9600 . ? C40 H40C 0.9600 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C43 H43A 0.9600 . ? C43 H43B 0.9600 . ? C43 H43C 0.9600 . ? C44 C45 1.195(6) . ? C45 C47 1.444(6) . ? C46 C47 1.385(6) . ? C46 H46 0.9300 . ? C47 C48 1.381(6) . ? C48 C49 1.391(6) . ? C48 H48 0.9300 . ? C49 C50 1.374(5) . ? C49 H49 0.9300 . ? C50 C51 1.473(5) . ? C51 C52 1.384(5) . ? C52 C53 1.386(5) . ? C52 H52 0.9300 . ? C53 C54 1.389(6) . ? C53 H53 0.9300 . ? C54 C55 1.393(5) . ? C54 C56 1.441(6) . ? C55 H55 0.9300 . ? C56 C57 1.198(6) . ? C58 H58A 0.9600 . ? C58 H58B 0.9600 . ? C58 H58C 0.9600 . ? C59 H59A 0.9600 . ? C59 H59B 0.9600 . ? C59 H59C 0.9600 . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? C61 C62 1.216(5) . ? C62 C63 1.446(5) . ? C63 C68 1.381(6) . ? C63 C64 1.391(6) . ? C64 C65 1.371(6) . ? C64 H64 0.9300 . ? C65 C66 1.388(6) . ? C65 H65 0.9300 . ? C66 C67 1.381(6) . ? C66 C69 1.509(6) . ? C67 C68 1.382(6) . ? C67 H67 0.9300 . ? C68 H68 0.9300 . ? C69 C70 1.497(7) . ? C69 H69A 0.9700 . ? C69 H69B 0.9700 . ? C70 H70A 0.9600 . ? C70 H70B 0.9600 . ? C70 H70C 0.9600 . ? C71 C72 1.194(6) . ? C72 C73 1.442(6) . ? C73 C74 1.395(6) . ? C73 C78 1.396(6) . ? C74 C75 1.383(6) . ? C74 H74 0.9300 . ? C75 C76 1.388(6) . ? C75 H75 0.9300 . ? C76 C77 1.366(7) . ? C76 C79 1.502(7) . ? C77 C78 1.384(7) . ? C77 H77 0.9300 . ? C78 H78 0.9300 . ? C79 C80 1.457(9) . ? C79 H79 0.9300 . ? C80 H80A 0.9600 . ? C80 H80B 0.9600 . ? C80 H80C 0.9600 . ? 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 C31 Pt1 C21 92.34(16) . . ? C31 Pt1 N2 95.15(14) . . ? C21 Pt1 N2 172.50(14) . . ? C31 Pt1 N1 174.14(13) . . ? C21 Pt1 N1 93.50(14) . . ? N2 Pt1 N1 79.03(11) . . ? C61 Pt2 C71 90.80(16) . . ? C61 Pt2 N3 93.28(15) . . ? C71 Pt2 N3 175.88(13) . . ? C61 Pt2 N4 172.42(14) . . ? C71 Pt2 N4 96.64(14) . . ? N3 Pt2 N4 79.27(12) . . ? C2 Si1 C1 113.4(3) . . ? C2 Si1 C4 109.3(2) . . ? C1 Si1 C4 107.9(2) . . ? C2 Si1 C3 109.3(3) . . ? C1 Si1 C3 108.9(3) . . ? C4 Si1 C3 108.0(2) . . ? C17 Si2 C18 106.8(3) . . ? C17 Si2 C19 110.2(3) . . ? C18 Si2 C19 112.4(4) . . ? C17 Si2 C20 106.0(3) . . ? C18 Si2 C20 111.3(3) . . ? C19 Si2 C20 110.0(3) . . ? C44 Si3 C41 107.7(2) . . ? C44 Si3 C42 108.5(2) . . ? C41 Si3 C42 110.9(3) . . ? C44 Si3 C43 107.3(3) . . ? C41 Si3 C43 111.9(3) . . ? C42 Si3 C43 110.3(4) . . ? C58 Si4 C59 109.4(3) . . ? C58 Si4 C57 109.5(2) . . ? C59 Si4 C57 108.2(2) . . ? C58 Si4 C60 109.4(3) . . ? C59 Si4 C60 113.5(3) . . ? C57 Si4 C60 106.7(2) . . ? C6 N1 C10 119.2(3) . . ? C6 N1 Pt1 125.7(2) . . ? C10 N1 Pt1 115.1(2) . . ? C15 N2 C11 119.0(3) . . ? C15 N2 Pt1 125.9(2) . . ? C11 N2 Pt1 115.0(2) . . ? C46 N3 C50 119.3(4) . . ? C46 N3 Pt2 125.9(3) . . ? C50 N3 Pt2 114.8(2) . . ? C55 N4 C51 119.4(3) . . ? C55 N4 Pt2 126.0(3) . . ? C51 N4 Pt2 114.6(2) . . ? Cl1 C01 Cl2 110.7(3) . . ? Cl1 C01 Cl3 110.0(3) . . ? Cl2 C01 Cl3 110.7(3) . . ? Cl1 C01 H01 108.5 . . ? Cl2 C01 H01 108.5 . . ? Cl3 C01 H01 108.5 . . ? Cl6 C02 Cl5 111.4(3) . . ? Cl6 C02 Cl4 109.9(3) . . ? Cl5 C02 Cl4 110.7(3) . . ? Cl6 C02 H02 108.2 . . ? Cl5 C02 H02 108.2 . . ? Cl4 C02 H02 108.2 . . ? Si1 C1 H1A 109.5 . . ? Si1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? Si1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? Si1 C2 H2A 109.5 . . ? Si1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? Si1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? Si1 C3 H3A 109.5 . . ? Si1 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? Si1 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? C5 C4 Si1 175.4(4) . . ? C4 C5 C7 177.8(5) . . ? N1 C6 C7 122.8(3) . . ? N1 C6 H6 118.6 . . ? C7 C6 H6 118.6 . . ? C6 C7 C8 117.5(3) . . ? C6 C7 C5 120.6(3) . . ? C8 C7 C5 121.8(4) . . ? C9 C8 C7 119.3(4) . . ? C9 C8 H8 120.3 . . ? C7 C8 H8 120.3 . . ? C8 C9 C10 120.4(4) . . ? C8 C9 H9 119.8 . . ? C10 C9 H9 119.8 . . ? N1 C10 C9 120.8(3) . . ? N1 C10 C11 115.3(3) . . ? C9 C10 C11 124.0(3) . . ? N2 C11 C12 120.5(3) . . ? N2 C11 C10 115.4(3) . . ? C12 C11 C10 124.0(3) . . ? C13 C12 C11 120.8(4) . . ? C13 C12 H12 119.6 . . ? C11 C12 H12 119.6 . . ? C12 C13 C14 119.0(4) . . ? C12 C13 H13 120.5 . . ? C14 C13 H13 120.5 . . ? C13 C14 C15 118.8(4) . . ? C13 C14 C16 120.8(3) . . ? C15 C14 C16 120.3(3) . . ? N2 C15 C14 121.8(3) . . ? N2 C15 H15 119.1 . . ? C14 C15 H15 119.1 . . ? C17 C16 C14 173.8(4) . . ? C16 C17 Si2 170.6(4) . . ? Si2 C18 H18A 109.5 . . ? Si2 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? Si2 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? Si2 C19 H19A 109.5 . . ? Si2 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? Si2 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? Si2 C20 H20A 109.5 . . ? Si2 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? Si2 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C22 C21 Pt1 170.1(4) . . ? C21 C22 C23 174.6(5) . . ? C28 C23 C24 117.2(4) . . ? C28 C23 C22 122.0(4) . . ? C24 C23 C22 120.8(4) . . ? C25 C24 C23 121.0(4) . . ? C25 C24 H24 119.5 . . ? C23 C24 H24 119.5 . . ? C24 C25 C26 120.8(4) . . ? C24 C25 H25 119.6 . . ? C26 C25 H25 119.6 . . ? C27 C26 C25 117.7(4) . . ? C27 C26 C29 120.7(4) . . ? C25 C26 C29 121.5(4) . . ? C28 C27 C26 122.0(4) . . ? C28 C27 H27 119.0 . . ? C26 C27 H27 119.0 . . ? C27 C28 C23 121.3(4) . . ? C27 C28 H28 119.3 . . ? C23 C28 H28 119.3 . . ? C30 C29 C26 116.1(5) . . ? C30 C29 H29 122.0 . . ? C26 C29 H29 122.0 . . ? C29 C30 H30A 109.5 . . ? C29 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C29 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C32 C31 Pt1 174.3(3) . . ? C31 C32 C33 179.3(5) . . ? C38 C33 C34 116.6(4) . . ? C38 C33 C32 122.2(4) . . ? C34 C33 C32 121.1(4) . . ? C33 C34 C35 120.8(4) . . ? C33 C34 H34 119.6 . . ? C35 C34 H34 119.6 . . ? C36 C35 C34 122.2(4) . . ? C36 C35 H35 118.9 . . ? C34 C35 H35 118.9 . . ? C35 C36 C37 117.3(4) . . ? C35 C36 C39 121.3(5) . . ? C37 C36 C39 121.3(5) . . ? C36 C37 C38 121.6(5) . . ? C36 C37 H37 119.2 . . ? C38 C37 H37 119.2 . . ? C37 C38 C33 121.4(5) . . ? C37 C38 H38 119.3 . . ? C33 C38 H38 119.3 . . ? C40 C39 C36 113.8(5) . . ? C40 C39 H39A 108.8 . . ? C36 C39 H39A 108.8 . . ? C40 C39 H39B 108.8 . . ? C36 C39 H39B 108.8 . . ? H39A C39 H39B 107.7 . . ? C39 C40 H40A 109.5 . . ? C39 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C39 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? Si3 C41 H41A 109.5 . . ? Si3 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? Si3 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? Si3 C42 H42A 109.5 . . ? Si3 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? Si3 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? Si3 C43 H43A 109.5 . . ? Si3 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? Si3 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C45 C44 Si3 179.0(5) . . ? C44 C45 C47 178.1(5) . . ? N3 C46 C47 122.2(4) . . ? N3 C46 H46 118.9 . . ? C47 C46 H46 118.9 . . ? C48 C47 C46 118.9(4) . . ? C48 C47 C45 121.3(4) . . ? C46 C47 C45 119.8(4) . . ? C47 C48 C49 118.6(4) . . ? C47 C48 H48 120.7 . . ? C49 C48 H48 120.7 . . ? C50 C49 C48 120.2(4) . . ? C50 C49 H49 119.9 . . ? C48 C49 H49 119.9 . . ? N3 C50 C49 120.7(4) . . ? N3 C50 C51 115.4(3) . . ? C49 C50 C51 123.9(3) . . ? N4 C51 C52 121.4(4) . . ? N4 C51 C50 115.9(3) . . ? C52 C51 C50 122.7(4) . . ? C51 C52 C53 119.0(4) . . ? C51 C52 H52 120.5 . . ? C53 C52 H52 120.5 . . ? C52 C53 C54 119.7(4) . . ? C52 C53 H53 120.2 . . ? C54 C53 H53 120.2 . . ? C53 C54 C55 118.2(4) . . ? C53 C54 C56 119.9(4) . . ? C55 C54 C56 121.8(4) . . ? N4 C55 C54 122.2(4) . . ? N4 C55 H55 118.9 . . ? C54 C55 H55 118.9 . . ? C57 C56 C54 174.9(5) . . ? C56 C57 Si4 176.2(4) . . ? Si4 C58 H58A 109.5 . . ? Si4 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? Si4 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? Si4 C59 H59A 109.5 . . ? Si4 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? Si4 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? Si4 C60 H60A 109.5 . . ? Si4 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? Si4 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C62 C61 Pt2 171.2(4) . . ? C61 C62 C63 176.0(4) . . ? C68 C63 C64 117.5(4) . . ? C68 C63 C62 121.4(4) . . ? C64 C63 C62 121.0(4) . . ? C65 C64 C63 121.1(4) . . ? C65 C64 H64 119.4 . . ? C63 C64 H64 119.4 . . ? C64 C65 C66 121.8(4) . . ? C64 C65 H65 119.1 . . ? C66 C65 H65 119.1 . . ? C67 C66 C65 116.6(4) . . ? C67 C66 C69 121.5(4) . . ? C65 C66 C69 121.8(4) . . ? C66 C67 C68 122.1(4) . . ? C66 C67 H67 119.0 . . ? C68 C67 H67 119.0 . . ? C63 C68 C67 120.8(4) . . ? C63 C68 H68 119.6 . . ? C67 C68 H68 119.6 . . ? C70 C69 C66 112.2(4) . . ? C70 C69 H69A 109.2 . . ? C66 C69 H69A 109.2 . . ? C70 C69 H69B 109.2 . . ? C66 C69 H69B 109.2 . . ? H69A C69 H69B 107.9 . . ? C69 C70 H70A 109.5 . . ? C69 C70 H70B 109.5 . . ? H70A C70 H70B 109.5 . . ? C69 C70 H70C 109.5 . . ? H70A C70 H70C 109.5 . . ? H70B C70 H70C 109.5 . . ? C72 C71 Pt2 179.9(4) . . ? C71 C72 C73 176.2(4) . . ? C74 C73 C78 116.3(4) . . ? C74 C73 C72 121.3(4) . . ? C78 C73 C72 122.4(4) . . ? C75 C74 C73 121.7(4) . . ? C75 C74 H74 119.2 . . ? C73 C74 H74 119.2 . . ? C74 C75 C76 121.5(4) . . ? C74 C75 H75 119.3 . . ? C76 C75 H75 119.3 . . ? C77 C76 C75 116.9(5) . . ? C77 C76 C79 121.8(5) . . ? C75 C76 C79 121.2(5) . . ? C76 C77 C78 122.6(4) . . ? C76 C77 H77 118.7 . . ? C78 C77 H77 118.7 . . ? C77 C78 C73 121.0(4) . . ? C77 C78 H78 119.5 . . ? C73 C78 H78 119.5 . . ? C80 C79 C76 116.5(5) . . ? C80 C79 H79 121.7 . . ? C76 C79 H79 121.7 . . ? C79 C80 H80A 109.5 . . ? C79 C80 H80B 109.5 . . ? H80A C80 H80B 109.5 . . ? C79 C80 H80C 109.5 . . ? H80A C80 H80C 109.5 . . ? H80B C80 H80C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.438 _refine_diff_density_min -1.459 _refine_diff_density_rms 0.118 _database_code_depnum_ccdc_archive 'CCDC 929762' ####################################################################### # # 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_1_1.5CH2Cl2 #TrackingRef '1_1.5CH2Cl2.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C83 H90 Cl6 N4 Pt2 Si4' _chemical_formula_weight 1858.83 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' N N 0.0061 0.0033 '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' Cl Cl 0.1484 0.1585 '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 12.1068(4) _cell_length_b 18.3651(7) _cell_length_c 21.0217(7) _cell_angle_alpha 74.111(2) _cell_angle_beta 77.900(2) _cell_angle_gamma 81.188(2) _cell_volume 4372.7(3) _cell_formula_units_Z 2 _cell_measurement_temperature 273(2) _cell_measurement_reflns_used 7799 _cell_measurement_theta_min 2.32 _cell_measurement_theta_max 27.44 _exptl_crystal_description block _exptl_crystal_colour orange _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.412 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1860 _exptl_absorpt_coefficient_mu 3.476 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.5915 _exptl_absorpt_correction_T_max 0.708 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 273(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 'Bruker Smart APEX II' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 40932 _diffrn_reflns_av_R_equivalents 0.0383 _diffrn_reflns_av_sigmaI/netI 0.0457 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.73 _diffrn_reflns_theta_max 25.00 _reflns_number_total 15364 _reflns_number_gt 12555 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0397P)^2^+8.7640P] 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 15364 _refine_ls_number_parameters 892 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0463 _refine_ls_R_factor_gt 0.0344 _refine_ls_wR_factor_ref 0.0908 _refine_ls_wR_factor_gt 0.0830 _refine_ls_goodness_of_fit_ref 1.010 _refine_ls_restrained_S_all 1.010 _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 0.107274(15) 0.408373(10) 0.072156(8) 0.02848(6) Uani 1 1 d . . . Pt2 Pt 0.425439(15) 0.965036(10) 0.096751(9) 0.03187(6) Uani 1 1 d . . . Si4 Si 0.12892(13) 0.90057(8) -0.19568(7) 0.0395(3) Uani 1 1 d . . . Si2 Si 0.24227(15) 0.53543(11) 0.39759(7) 0.0521(4) Uani 1 1 d . . . Si1 Si 0.15182(14) 0.50908(11) -0.33849(7) 0.0496(4) Uani 1 1 d . . . Si3 Si 0.4461(2) 1.22242(16) 0.35954(10) 0.0846(7) Uani 1 1 d . . . N2 N 0.1599(3) 0.4909(2) 0.10591(18) 0.0306(9) Uani 1 1 d . . . N1 N 0.1562(3) 0.4860(2) -0.01785(18) 0.0299(8) Uani 1 1 d . . . N4 N 0.3250(3) 1.0187(2) 0.02586(19) 0.0311(9) Uani 1 1 d . . . C5 C 0.1676(4) 0.5251(3) -0.2012(2) 0.0392(12) Uani 1 1 d . . . C9 C 0.2217(4) 0.6081(3) -0.0689(2) 0.0366(11) Uani 1 1 d . . . H9A H 0.2448 0.6521 -0.0644 0.044 Uiso 1 1 calc R . . N3 N 0.3833(3) 1.0704(2) 0.11791(19) 0.0319(9) Uani 1 1 d . . . C51 C 0.2827(4) 1.0912(3) 0.0268(2) 0.0326(11) Uani 1 1 d . . . C31 C 0.0630(4) 0.3411(3) 0.1609(2) 0.0325(10) Uani 1 1 d . . . C61 C 0.5175(4) 0.9243(3) 0.1669(3) 0.0370(11) Uani 1 1 d . . . C21 C 0.0596(4) 0.3399(3) 0.0290(2) 0.0335(11) Uani 1 1 d . . . C50 C 0.3136(4) 1.1202(3) 0.0790(2) 0.0329(11) Uani 1 1 d . . . C15 C 0.1614(4) 0.4886(3) 0.1698(2) 0.0347(11) Uani 1 1 d . . . H15A H 0.1301 0.4491 0.2036 0.042 Uiso 1 1 calc R . . C72 C 0.4656(4) 0.8150(3) 0.0454(3) 0.0385(12) Uani 1 1 d . . . C11 C 0.1999(4) 0.5509(3) 0.0561(2) 0.0302(10) Uani 1 1 d . . . C4 C 0.1600(5) 0.5177(3) -0.2542(3) 0.0464(13) Uani 1 1 d . . . C12 C 0.2480(4) 0.6071(3) 0.0713(2) 0.0352(11) Uani 1 1 d . . . H12A H 0.2775 0.6469 0.0370 0.042 Uiso 1 1 calc R . . C56 C 0.1994(4) 0.9875(3) -0.1088(3) 0.0385(12) Uani 1 1 d . . . C32 C 0.0358(4) 0.3011(3) 0.2169(2) 0.0364(11) Uani 1 1 d . . . C24 C 0.0209(4) 0.2915(3) -0.1167(3) 0.0409(12) Uani 1 1 d . . . H24A H 0.0740 0.3265 -0.1358 0.049 Uiso 1 1 calc R . . C73 C 0.4798(4) 0.7545(3) 0.0122(3) 0.0386(12) Uani 1 1 d . . . C55 C 0.2998(4) 0.9877(3) -0.0195(2) 0.0337(11) Uani 1 1 d . . . H55A H 0.3319 0.9388 -0.0214 0.040 Uiso 1 1 calc R . . C54 C 0.2276(4) 1.0258(3) -0.0634(2) 0.0366(11) Uani 1 1 d . . . C10 C 0.1937(4) 0.5495(3) -0.0124(2) 0.0302(10) Uani 1 1 d . . . C49 C 0.2741(4) 1.1912(3) 0.0902(3) 0.0380(12) Uani 1 1 d . . . H49A H 0.2275 1.2248 0.0628 0.046 Uiso 1 1 calc R . . C48 C 0.3036(4) 1.2123(3) 0.1417(3) 0.0381(12) Uani 1 1 d . . . H48A H 0.2765 1.2598 0.1497 0.046 Uiso 1 1 calc R . . C8 C 0.2155(4) 0.6013(3) -0.1310(2) 0.0392(12) Uani 1 1 d . . . H8A H 0.2356 0.6400 -0.1690 0.047 Uiso 1 1 calc R . . C6 C 0.1490(4) 0.4797(3) -0.0789(2) 0.0324(10) Uani 1 1 d . . . H6A H 0.1230 0.4361 -0.0824 0.039 Uiso 1 1 calc R . . C38 C -0.1088(5) 0.2629(3) 0.3177(3) 0.0470(13) Uani 1 1 d . . . H38A H -0.1609 0.3005 0.2979 0.056 Uiso 1 1 calc R . . C33 C 0.0019(4) 0.2531(3) 0.2829(2) 0.0382(12) Uani 1 1 d . . . C71 C 0.4541(4) 0.8700(3) 0.0685(2) 0.0362(11) Uani 1 1 d . . . C53 C 0.1836(5) 1.1000(3) -0.0622(3) 0.0426(12) Uani 1 1 d . . . H53A H 0.1349 1.1270 -0.0914 0.051 Uiso 1 1 calc R . . C14 C 0.2081(4) 0.5434(3) 0.1878(2) 0.0359(11) Uani 1 1 d . . . C77 C 0.4500(4) 0.7077(3) -0.0796(3) 0.0395(12) Uani 1 1 d . . . H77A H 0.4185 0.7162 -0.1181 0.047 Uiso 1 1 calc R . . C23 C -0.0144(4) 0.2718(3) -0.0473(2) 0.0345(11) Uani 1 1 d . . . C26 C -0.1018(5) 0.2073(3) -0.1310(3) 0.0433(13) Uani 1 1 d . . . C75 C 0.5618(5) 0.6298(3) -0.0017(3) 0.0506(14) Uani 1 1 d . . . H75A H 0.6058 0.5846 0.0135 0.061 Uiso 1 1 calc R . . C57 C 0.1735(5) 0.9547(3) -0.1440(3) 0.0432(12) Uani 1 1 d . . . C46 C 0.4133(4) 1.0916(3) 0.1673(2) 0.0375(11) Uani 1 1 d . . . H46A H 0.4623 1.0580 0.1931 0.045 Uiso 1 1 calc R . . C62 C 0.5727(5) 0.9064(3) 0.2114(3) 0.0431(12) Uani 1 1 d . . . C13 C 0.2518(4) 0.6036(3) 0.1367(2) 0.0368(11) Uani 1 1 d . . . H13A H 0.2833 0.6411 0.1470 0.044 Uiso 1 1 calc R . . C47 C 0.3746(4) 1.1618(3) 0.1820(2) 0.0385(12) Uani 1 1 d . . . C7 C 0.1786(4) 0.5353(3) -0.1366(2) 0.0345(11) Uani 1 1 d . . . C16 C 0.2124(4) 0.5378(3) 0.2569(2) 0.0410(12) Uani 1 1 d . . . C28 C -0.0939(5) 0.2191(3) -0.0206(3) 0.0448(13) Uani 1 1 d . . . H28A H -0.1184 0.2049 0.0257 0.054 Uiso 1 1 calc R . . C76 C 0.5150(4) 0.6389(3) -0.0580(3) 0.0423(13) Uani 1 1 d . . . C78 C 0.4320(4) 0.7635(3) -0.0444(3) 0.0373(11) Uani 1 1 d . . . H78A H 0.3866 0.8082 -0.0591 0.045 Uiso 1 1 calc R . . C25 C -0.0223(5) 0.2593(3) -0.1575(3) 0.0453(13) Uani 1 1 d . . . H25A H 0.0027 0.2729 -0.2037 0.054 Uiso 1 1 calc R . . C27 C -0.1367(5) 0.1877(3) -0.0620(3) 0.0482(14) Uani 1 1 d . . . H27A H -0.1900 0.1528 -0.0431 0.058 Uiso 1 1 calc R . . C22 C 0.0275(4) 0.3065(3) -0.0045(2) 0.0353(11) Uani 1 1 d . . . C45 C 0.4063(5) 1.1791(3) 0.2376(3) 0.0455(13) Uani 1 1 d . . . C74 C 0.5454(5) 0.6863(3) 0.0333(3) 0.0484(14) Uani 1 1 d . . . H74A H 0.5787 0.6782 0.0711 0.058 Uiso 1 1 calc R . . C17 C 0.2209(5) 0.5344(4) 0.3135(3) 0.0471(14) Uani 1 1 d . . . C37 C -0.1417(6) 0.2172(4) 0.3814(3) 0.0572(16) Uani 1 1 d . . . H37A H -0.2156 0.2252 0.4038 0.069 Uiso 1 1 calc R . . C58 C -0.0160(5) 0.8753(4) -0.1567(3) 0.0593(16) Uani 1 1 d . . . H58A H -0.0673 0.9208 -0.1583 0.089 Uiso 1 1 calc R . . H58B H -0.0168 0.8474 -0.1108 0.089 Uiso 1 1 calc R . . H58C H -0.0393 0.8444 -0.1808 0.089 Uiso 1 1 calc R . . C79 C 0.5325(5) 0.5768(3) -0.0949(3) 0.0568(16) Uani 1 1 d . . . H79A H 0.5972 0.5420 -0.0817 0.068 Uiso 1 1 calc R . . H79B H 0.4664 0.5485 -0.0799 0.068 Uiso 1 1 calc R . . C36 C -0.0684(6) 0.1605(4) 0.4123(3) 0.0566(16) Uani 1 1 d . . . C68 C 0.7384(5) 0.8363(4) 0.2609(3) 0.0603(16) Uani 1 1 d . . . H68A H 0.7618 0.8149 0.2244 0.072 Uiso 1 1 calc R . . C52 C 0.2124(4) 1.1330(3) -0.0175(3) 0.0428(12) Uani 1 1 d . . . H52A H 0.1850 1.1830 -0.0170 0.051 Uiso 1 1 calc R . . C63 C 0.6387(5) 0.8867(3) 0.2640(3) 0.0446(13) Uani 1 1 d . . . C35 C 0.0405(6) 0.1507(4) 0.3780(3) 0.0674(19) Uani 1 1 d . . . H35A H 0.0920 0.1129 0.3980 0.081 Uiso 1 1 calc R . . C64 C 0.6075(5) 0.9166(4) 0.3196(3) 0.0562(15) Uani 1 1 d . . . H64A H 0.5418 0.9500 0.3231 0.067 Uiso 1 1 calc R . . C34 C 0.0755(5) 0.1959(4) 0.3141(3) 0.0610(17) Uani 1 1 d . . . H34A H 0.1496 0.1876 0.2921 0.073 Uiso 1 1 calc R . . C60 C 0.2295(6) 0.8130(4) -0.1934(4) 0.0675(18) Uani 1 1 d . . . H60A H 0.3046 0.8268 -0.2138 0.101 Uiso 1 1 calc R . . H60B H 0.2066 0.7822 -0.2176 0.101 Uiso 1 1 calc R . . H60C H 0.2293 0.7848 -0.1476 0.101 Uiso 1 1 calc R . . C44 C 0.4273(5) 1.1963(4) 0.2844(3) 0.0560(16) Uani 1 1 d . . . C66 C 0.7707(6) 0.8494(5) 0.3669(3) 0.0692(19) Uani 1 1 d . . . C59 C 0.1316(6) 0.9589(4) -0.2828(3) 0.0674(19) Uani 1 1 d . . . H59A H 0.0789 1.0036 -0.2828 0.101 Uiso 1 1 calc R . . H59B H 0.1106 0.9298 -0.3092 0.101 Uiso 1 1 calc R . . H59C H 0.2067 0.9735 -0.3017 0.101 Uiso 1 1 calc R . . C3 C 0.0391(6) 0.5811(4) -0.3724(3) 0.071(2) Uani 1 1 d . . . H3A H 0.0587 0.6312 -0.3768 0.106 Uiso 1 1 calc R . . H3B H -0.0319 0.5735 -0.3422 0.106 Uiso 1 1 calc R . . H3C H 0.0325 0.5759 -0.4156 0.106 Uiso 1 1 calc R . . C29 C -0.1461(6) 0.1701(4) -0.1756(3) 0.0613(17) Uani 1 1 d . . . H29A H -0.1310 0.1999 -0.2218 0.074 Uiso 1 1 calc R . . H29B H -0.2277 0.1693 -0.1620 0.074 Uiso 1 1 calc R . . C65 C 0.6717(6) 0.8981(4) 0.3700(3) 0.0670(19) Uani 1 1 d . . . H65A H 0.6477 0.9188 0.4069 0.080 Uiso 1 1 calc R . . C18 C 0.3956(6) 0.5189(5) 0.3972(3) 0.083(2) Uani 1 1 d . . . H18A H 0.4236 0.4695 0.3900 0.125 Uiso 1 1 calc R . . H18B H 0.4103 0.5214 0.4397 0.125 Uiso 1 1 calc R . . H18C H 0.4332 0.5570 0.3619 0.125 Uiso 1 1 calc R . . C1 C 0.1167(7) 0.4115(4) -0.3294(3) 0.0693(19) Uani 1 1 d . . . H1A H 0.1759 0.3751 -0.3123 0.104 Uiso 1 1 calc R . . H1B H 0.1098 0.4059 -0.3725 0.104 Uiso 1 1 calc R . . H1C H 0.0462 0.4031 -0.2989 0.104 Uiso 1 1 calc R . . C20 C 0.1682(6) 0.4598(5) 0.4616(3) 0.076(2) Uani 1 1 d . . . H20A H 0.2008 0.4111 0.4543 0.114 Uiso 1 1 calc R . . H20B H 0.0892 0.4669 0.4584 0.114 Uiso 1 1 calc R . . H20C H 0.1761 0.4622 0.5055 0.114 Uiso 1 1 calc R . . C67 C 0.8023(6) 0.8183(4) 0.3118(4) 0.073(2) Uani 1 1 d . . . H67A H 0.8677 0.7846 0.3089 0.088 Uiso 1 1 calc R . . C39 C -0.1072(7) 0.1101(5) 0.4810(3) 0.082(2) Uani 1 1 d . . . H39A H -0.0412 0.0865 0.5012 0.099 Uiso 1 1 calc R . . H39B H -0.1532 0.1412 0.5093 0.099 Uiso 1 1 calc R . . C80 C 0.5514(8) 0.6016(5) -0.1690(4) 0.094(3) Uani 1 1 d . . . H80A H 0.5614 0.5579 -0.1871 0.141 Uiso 1 1 calc R . . H80B H 0.6181 0.6282 -0.1850 0.141 Uiso 1 1 calc R . . H80C H 0.4869 0.6348 -0.1832 0.141 Uiso 1 1 calc R . . C30 C -0.0905(7) 0.0894(5) -0.1710(4) 0.088(3) Uani 1 1 d . . . H30A H -0.1198 0.0673 -0.1997 0.132 Uiso 1 1 calc R . . H30B H -0.1066 0.0597 -0.1255 0.132 Uiso 1 1 calc R . . H30C H -0.0098 0.0902 -0.1851 0.132 Uiso 1 1 calc R . . C42 C 0.5597(8) 1.2858(7) 0.3370(5) 0.117(4) Uani 1 1 d . . . H42A H 0.6306 1.2588 0.3221 0.176 Uiso 1 1 calc R . . H42B H 0.5654 1.3024 0.3756 0.176 Uiso 1 1 calc R . . H42C H 0.5425 1.3292 0.3016 0.176 Uiso 1 1 calc R . . C19 C 0.1815(9) 0.6293(5) 0.4119(4) 0.103(3) Uani 1 1 d . . . H19A H 0.2206 0.6684 0.3785 0.154 Uiso 1 1 calc R . . H19B H 0.1901 0.6313 0.4557 0.154 Uiso 1 1 calc R . . H19C H 0.1024 0.6370 0.4088 0.154 Uiso 1 1 calc R . . C69 C 0.8438(9) 0.8362(6) 0.4211(5) 0.110(3) Uani 1 1 d . . . H69A H 0.8992 0.8730 0.4058 0.131 Uiso 1 1 calc R . . H69B H 0.7953 0.8465 0.4613 0.131 Uiso 1 1 calc R . . Cl2 Cl 0.6452(3) 0.6505(2) 0.20967(17) 0.1447(12) Uani 1 1 d . . . Cl3 Cl 0.8177(4) 0.1513(2) 0.65840(14) 0.1694(16) Uani 1 1 d . . . Cl1 Cl 0.4094(3) 0.6950(3) 0.24196(17) 0.1726(17) Uani 1 1 d . . . Cl4 Cl 0.7569(5) 0.0024(2) 0.6878(2) 0.248(3) Uani 1 1 d . . . Cl6 Cl 0.4149(5) 0.3433(3) 0.5416(3) 0.219(2) Uani 1 1 d . . . Cl5 Cl 0.5998(4) 0.2350(4) 0.5430(3) 0.251(3) Uani 1 1 d . . . C2 C 0.2918(6) 0.5283(6) -0.3912(4) 0.092(3) Uani 1 1 d . . . H2A H 0.3490 0.4904 -0.3734 0.138 Uiso 1 1 calc R . . H2B H 0.3086 0.5777 -0.3914 0.138 Uiso 1 1 calc R . . H2C H 0.2906 0.5266 -0.4363 0.138 Uiso 1 1 calc R . . C01 C 0.5408(7) 0.7256(4) 0.2080(4) 0.075(2) Uani 1 1 d . . . H01A H 0.5568 0.7588 0.2330 0.090 Uiso 1 1 calc R . . H01B H 0.5410 0.7547 0.1619 0.090 Uiso 1 1 calc R . . C02 C 0.7184(8) 0.0889(7) 0.6990(5) 0.130(4) Uani 1 1 d . . . H02A H 0.7050 0.0861 0.7467 0.156 Uiso 1 1 calc R . . H02B H 0.6475 0.1083 0.6829 0.156 Uiso 1 1 calc R . . C40 C -0.1745(10) 0.0492(6) 0.4788(4) 0.128(4) Uani 1 1 d . . . H40A H -0.1971 0.0189 0.5236 0.192 Uiso 1 1 calc R . . H40B H -0.1288 0.0174 0.4518 0.192 Uiso 1 1 calc R . . H40C H -0.2408 0.0721 0.4598 0.192 Uiso 1 1 calc R . . C70 C 0.9004(11) 0.7655(8) 0.4383(6) 0.149(5) Uani 1 1 d . . . H70A H 0.9430 0.7636 0.4725 0.223 Uiso 1 1 calc R . . H70B H 0.9513 0.7549 0.3995 0.223 Uiso 1 1 calc R . . H70C H 0.8468 0.7282 0.4549 0.223 Uiso 1 1 calc R . . C43 C 0.3097(9) 1.2754(9) 0.3883(6) 0.179(7) Uani 1 1 d . . . H43A H 0.2501 1.2424 0.4008 0.268 Uiso 1 1 calc R . . H43B H 0.2923 1.3183 0.3525 0.268 Uiso 1 1 calc R . . H43C H 0.3161 1.2927 0.4263 0.268 Uiso 1 1 calc R . . C03 C 0.4914(13) 0.2735(6) 0.5919(4) 0.151(6) Uani 1 1 d . . . H03A H 0.5204 0.2949 0.6217 0.181 Uiso 1 1 calc R . . H03B H 0.4432 0.2347 0.6190 0.181 Uiso 1 1 calc R . . C41 C 0.4780(18) 1.1347(9) 0.4212(6) 0.227(9) Uani 1 1 d . . . H41A H 0.4165 1.1036 0.4315 0.340 Uiso 1 1 calc R . . H41B H 0.4878 1.1463 0.4613 0.340 Uiso 1 1 calc R . . H41C H 0.5466 1.1077 0.4032 0.340 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 0.02977(11) 0.02847(11) 0.02713(10) -0.00711(7) -0.00563(7) -0.00165(7) Pt2 0.02911(11) 0.03004(11) 0.03560(11) -0.00795(8) -0.00464(8) -0.00236(8) Si4 0.0473(8) 0.0385(8) 0.0349(7) -0.0107(6) -0.0066(6) -0.0090(7) Si2 0.0550(10) 0.0764(12) 0.0330(8) -0.0193(8) -0.0105(7) -0.0172(9) Si1 0.0561(10) 0.0685(11) 0.0293(7) -0.0164(7) -0.0045(7) -0.0188(8) Si3 0.0875(15) 0.133(2) 0.0530(11) -0.0496(13) -0.0081(10) -0.0285(14) N2 0.029(2) 0.034(2) 0.029(2) -0.0076(17) -0.0065(16) -0.0018(17) N1 0.030(2) 0.030(2) 0.029(2) -0.0083(16) -0.0050(16) -0.0007(17) N4 0.028(2) 0.031(2) 0.035(2) -0.0088(17) -0.0039(16) -0.0052(17) C5 0.043(3) 0.039(3) 0.034(3) -0.007(2) -0.007(2) 0.000(2) C9 0.040(3) 0.036(3) 0.035(3) -0.008(2) -0.006(2) -0.009(2) N3 0.028(2) 0.031(2) 0.037(2) -0.0106(18) -0.0045(17) -0.0005(17) C51 0.026(2) 0.035(3) 0.037(3) -0.011(2) -0.004(2) 0.000(2) C31 0.033(3) 0.029(3) 0.036(3) -0.011(2) -0.006(2) 0.000(2) C61 0.039(3) 0.029(3) 0.042(3) -0.008(2) -0.008(2) -0.003(2) C21 0.033(3) 0.030(3) 0.034(2) -0.004(2) -0.005(2) -0.001(2) C50 0.027(2) 0.034(3) 0.038(3) -0.011(2) -0.002(2) -0.006(2) C15 0.034(3) 0.041(3) 0.027(2) -0.007(2) -0.002(2) -0.008(2) C72 0.037(3) 0.035(3) 0.042(3) -0.008(2) -0.006(2) -0.003(2) C11 0.023(2) 0.036(3) 0.031(2) -0.009(2) -0.0060(19) 0.0032(19) C4 0.057(4) 0.051(4) 0.032(3) -0.010(2) -0.011(2) -0.002(3) C12 0.037(3) 0.032(3) 0.035(3) -0.005(2) -0.007(2) -0.004(2) C56 0.038(3) 0.037(3) 0.041(3) -0.010(2) -0.010(2) -0.003(2) C32 0.035(3) 0.036(3) 0.040(3) -0.012(2) -0.005(2) -0.005(2) C24 0.042(3) 0.040(3) 0.043(3) -0.012(2) -0.005(2) -0.012(2) C73 0.035(3) 0.032(3) 0.044(3) -0.005(2) -0.001(2) -0.004(2) C55 0.032(3) 0.033(3) 0.036(3) -0.009(2) -0.005(2) -0.006(2) C54 0.034(3) 0.038(3) 0.040(3) -0.011(2) -0.004(2) -0.009(2) C10 0.027(2) 0.032(3) 0.031(2) -0.009(2) -0.0039(19) -0.002(2) C49 0.032(3) 0.035(3) 0.047(3) -0.012(2) -0.006(2) -0.001(2) C48 0.031(3) 0.036(3) 0.051(3) -0.021(2) -0.003(2) -0.002(2) C8 0.042(3) 0.040(3) 0.031(3) 0.001(2) -0.006(2) -0.008(2) C6 0.034(3) 0.032(3) 0.033(2) -0.012(2) -0.008(2) 0.001(2) C38 0.049(3) 0.050(4) 0.038(3) -0.006(2) -0.004(2) -0.005(3) C33 0.045(3) 0.040(3) 0.031(2) -0.009(2) -0.004(2) -0.012(2) C71 0.032(3) 0.034(3) 0.039(3) -0.005(2) -0.005(2) -0.001(2) C53 0.045(3) 0.038(3) 0.048(3) -0.011(2) -0.017(2) 0.003(2) C14 0.034(3) 0.043(3) 0.033(2) -0.014(2) -0.008(2) -0.001(2) C77 0.033(3) 0.038(3) 0.045(3) -0.010(2) -0.003(2) -0.004(2) C23 0.037(3) 0.030(3) 0.039(3) -0.013(2) -0.009(2) -0.001(2) C26 0.043(3) 0.040(3) 0.055(3) -0.021(3) -0.017(3) 0.001(2) C75 0.048(3) 0.032(3) 0.068(4) -0.009(3) -0.016(3) 0.009(2) C57 0.046(3) 0.042(3) 0.041(3) -0.009(2) -0.006(2) -0.005(2) C46 0.037(3) 0.038(3) 0.036(3) -0.007(2) -0.004(2) -0.007(2) C62 0.039(3) 0.039(3) 0.048(3) -0.008(2) -0.005(3) -0.005(2) C13 0.037(3) 0.038(3) 0.039(3) -0.016(2) -0.007(2) -0.006(2) C47 0.036(3) 0.042(3) 0.040(3) -0.016(2) 0.002(2) -0.011(2) C7 0.033(3) 0.040(3) 0.030(2) -0.011(2) -0.008(2) 0.003(2) C16 0.043(3) 0.051(3) 0.034(3) -0.014(2) -0.007(2) -0.012(2) C28 0.050(3) 0.039(3) 0.046(3) -0.012(2) -0.005(3) -0.008(3) C76 0.033(3) 0.032(3) 0.062(3) -0.017(3) -0.002(2) 0.000(2) C78 0.032(3) 0.027(3) 0.046(3) -0.006(2) 0.001(2) 0.001(2) C25 0.056(3) 0.046(3) 0.035(3) -0.012(2) -0.009(2) -0.002(3) C27 0.045(3) 0.047(3) 0.056(3) -0.014(3) -0.008(3) -0.013(3) C22 0.036(3) 0.029(3) 0.039(3) -0.008(2) -0.008(2) 0.002(2) C45 0.043(3) 0.047(3) 0.047(3) -0.018(3) -0.003(2) -0.005(3) C74 0.043(3) 0.043(3) 0.060(4) -0.014(3) -0.014(3) 0.003(3) C17 0.044(3) 0.062(4) 0.040(3) -0.018(3) -0.008(2) -0.010(3) C37 0.058(4) 0.065(4) 0.043(3) -0.013(3) 0.005(3) -0.011(3) C58 0.060(4) 0.063(4) 0.061(4) -0.019(3) -0.008(3) -0.022(3) C79 0.048(4) 0.045(4) 0.084(5) -0.028(3) -0.018(3) 0.007(3) C36 0.067(4) 0.058(4) 0.035(3) -0.001(3) -0.004(3) -0.006(3) C68 0.055(4) 0.070(5) 0.053(4) -0.010(3) -0.020(3) 0.005(3) C52 0.039(3) 0.037(3) 0.056(3) -0.021(3) -0.007(2) 0.002(2) C63 0.042(3) 0.041(3) 0.047(3) 0.002(2) -0.013(2) -0.011(3) C35 0.070(5) 0.074(5) 0.043(3) 0.007(3) -0.014(3) 0.003(4) C64 0.052(4) 0.062(4) 0.057(4) -0.019(3) -0.013(3) -0.004(3) C34 0.048(4) 0.075(5) 0.045(3) -0.001(3) -0.002(3) 0.006(3) C60 0.073(5) 0.062(4) 0.074(4) -0.030(4) -0.021(4) 0.007(4) C44 0.055(4) 0.068(4) 0.051(3) -0.025(3) -0.010(3) -0.007(3) C66 0.073(5) 0.085(5) 0.051(4) -0.005(4) -0.029(3) -0.010(4) C59 0.093(5) 0.066(5) 0.044(3) -0.004(3) -0.015(3) -0.024(4) C3 0.084(5) 0.077(5) 0.059(4) -0.007(4) -0.031(4) -0.026(4) C29 0.060(4) 0.065(4) 0.076(4) -0.037(4) -0.026(3) -0.003(3) C65 0.071(5) 0.083(5) 0.053(4) -0.020(4) -0.018(3) -0.013(4) C18 0.064(5) 0.132(8) 0.054(4) -0.008(4) -0.018(3) -0.029(5) C1 0.090(5) 0.072(5) 0.054(4) -0.023(3) -0.014(4) -0.016(4) C20 0.081(5) 0.116(7) 0.037(3) -0.014(4) -0.008(3) -0.041(5) C67 0.057(4) 0.083(5) 0.072(5) -0.010(4) -0.025(4) 0.016(4) C39 0.092(6) 0.095(6) 0.039(3) 0.010(4) -0.004(4) -0.008(5) C80 0.125(7) 0.077(6) 0.088(6) -0.050(5) -0.030(5) 0.036(5) C30 0.102(6) 0.081(6) 0.112(6) -0.061(5) -0.052(5) 0.010(5) C42 0.100(7) 0.191(11) 0.097(6) -0.071(7) -0.020(5) -0.055(7) C19 0.159(9) 0.092(7) 0.072(5) -0.043(5) -0.023(5) -0.011(6) C69 0.112(8) 0.127(9) 0.082(6) -0.003(6) -0.049(6) 0.012(6) Cl2 0.153(3) 0.145(3) 0.144(2) -0.051(2) -0.080(2) 0.063(2) Cl3 0.235(4) 0.203(4) 0.0817(17) -0.035(2) 0.005(2) -0.106(3) Cl1 0.122(2) 0.232(4) 0.129(2) 0.056(2) -0.0383(19) -0.073(3) Cl4 0.392(7) 0.092(3) 0.174(4) -0.021(2) 0.124(4) -0.024(3) Cl6 0.226(5) 0.137(4) 0.283(6) -0.024(4) -0.091(4) 0.025(3) Cl5 0.136(3) 0.362(8) 0.260(6) -0.136(6) -0.008(4) 0.029(4) C2 0.070(5) 0.161(9) 0.058(4) -0.047(5) 0.011(4) -0.044(5) C01 0.095(6) 0.059(5) 0.068(4) -0.007(4) -0.018(4) -0.011(4) C02 0.070(6) 0.203(14) 0.113(8) -0.051(8) 0.014(5) -0.022(7) C40 0.161(10) 0.126(9) 0.075(6) 0.043(6) -0.024(6) -0.067(8) C70 0.170(12) 0.154(12) 0.124(9) -0.029(9) -0.070(9) 0.026(10) C43 0.101(8) 0.33(2) 0.172(11) -0.201(14) 0.014(8) -0.023(10) C03 0.284(17) 0.111(9) 0.059(5) 0.009(5) -0.019(8) -0.098(10) C41 0.43(3) 0.174(15) 0.110(9) -0.009(9) -0.130(14) -0.078(17) _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 C21 1.951(5) . ? Pt1 C31 1.953(5) . ? Pt1 N1 2.068(4) . ? Pt1 N2 2.069(4) . ? Pt2 C61 1.951(5) . ? Pt2 C71 1.953(5) . ? Pt2 N4 2.063(4) . ? Pt2 N3 2.067(4) . ? Si4 C58 1.845(6) . ? Si4 C59 1.848(6) . ? Si4 C60 1.859(7) . ? Si4 C57 1.860(5) . ? Si2 C18 1.833(7) . ? Si2 C20 1.843(7) . ? Si2 C17 1.845(5) . ? Si2 C19 1.845(9) . ? Si1 C2 1.846(7) . ? Si1 C4 1.847(5) . ? Si1 C1 1.855(7) . ? Si1 C3 1.859(7) . ? Si3 C41 1.817(14) . ? Si3 C44 1.837(6) . ? Si3 C42 1.841(9) . ? Si3 C43 1.857(11) . ? N2 C15 1.336(6) . ? N2 C11 1.366(6) . ? N1 C6 1.342(6) . ? N1 C10 1.355(6) . ? N4 C55 1.342(6) . ? N4 C51 1.355(6) . ? C5 C4 1.182(7) . ? C5 C7 1.455(7) . ? C9 C8 1.363(7) . ? C9 C10 1.387(7) . ? C9 H9A 0.9300 . ? N3 C46 1.336(6) . ? N3 C50 1.365(6) . ? C51 C52 1.387(7) . ? C51 C50 1.476(6) . ? C31 C32 1.214(7) . ? C61 C62 1.208(7) . ? C21 C22 1.202(7) . ? C50 C49 1.384(7) . ? C15 C14 1.396(7) . ? C15 H15A 0.9300 . ? C72 C71 1.213(7) . ? C72 C73 1.438(7) . ? C11 C12 1.395(7) . ? C11 C10 1.465(6) . ? C12 C13 1.369(7) . ? C12 H12A 0.9300 . ? C56 C57 1.188(7) . ? C56 C54 1.448(7) . ? C32 C33 1.439(7) . ? C24 C25 1.386(7) . ? C24 C23 1.392(7) . ? C24 H24A 0.9300 . ? C73 C78 1.389(7) . ? C73 C74 1.392(8) . ? C55 C54 1.380(7) . ? C55 H55A 0.9300 . ? C54 C53 1.389(7) . ? C49 C48 1.372(7) . ? C49 H49A 0.9300 . ? C48 C47 1.396(8) . ? C48 H48A 0.9300 . ? C8 C7 1.395(7) . ? C8 H8A 0.9300 . ? C6 C7 1.377(7) . ? C6 H6A 0.9300 . ? C38 C37 1.385(8) . ? C38 C33 1.397(7) . ? C38 H38A 0.9300 . ? C33 C34 1.382(8) . ? C53 C52 1.375(7) . ? C53 H53A 0.9300 . ? C14 C13 1.395(7) . ? C14 C16 1.438(7) . ? C77 C78 1.388(7) . ? C77 C76 1.397(7) . ? C77 H77A 0.9300 . ? C23 C28 1.391(7) . ? C23 C22 1.442(7) . ? C26 C25 1.383(8) . ? C26 C27 1.384(8) . ? C26 C29 1.517(7) . ? C75 C76 1.376(8) . ? C75 C74 1.397(8) . ? C75 H75A 0.9300 . ? C46 C47 1.397(7) . ? C46 H46A 0.9300 . ? C62 C63 1.432(8) . ? C13 H13A 0.9300 . ? C47 C45 1.429(7) . ? C16 C17 1.200(7) . ? C28 C27 1.385(7) . ? C28 H28A 0.9300 . ? C76 C79 1.512(8) . ? C78 H78A 0.9300 . ? C25 H25A 0.9300 . ? C27 H27A 0.9300 . ? C45 C44 1.196(8) . ? C74 H74A 0.9300 . ? C37 C36 1.373(9) . ? C37 H37A 0.9300 . ? C58 H58A 0.9600 . ? C58 H58B 0.9600 . ? C58 H58C 0.9600 . ? C79 C80 1.478(10) . ? C79 H79A 0.9700 . ? C79 H79B 0.9700 . ? C36 C35 1.375(9) . ? C36 C39 1.510(8) . ? C68 C67 1.389(9) . ? C68 C63 1.406(8) . ? C68 H68A 0.9300 . ? C52 H52A 0.9300 . ? C63 C64 1.383(8) . ? C35 C34 1.389(8) . ? C35 H35A 0.9300 . ? C64 C65 1.382(9) . ? C64 H64A 0.9300 . ? C34 H34A 0.9300 . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? C66 C65 1.382(10) . ? C66 C67 1.387(10) . ? C66 C69 1.532(10) . ? C59 H59A 0.9600 . ? C59 H59B 0.9600 . ? C59 H59C 0.9600 . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C29 C30 1.518(10) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C65 H65A 0.9300 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C67 H67A 0.9300 . ? C39 C40 1.497(12) . ? C39 H39A 0.9700 . ? C39 H39B 0.9700 . ? C80 H80A 0.9600 . ? C80 H80B 0.9600 . ? C80 H80C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C69 C70 1.364(14) . ? C69 H69A 0.9700 . ? C69 H69B 0.9700 . ? Cl2 C01 1.720(8) . ? Cl3 C02 1.715(11) . ? Cl1 C01 1.713(8) . ? Cl4 C02 1.651(13) . ? Cl6 C03 1.710(13) . ? Cl5 C03 1.681(14) . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C01 H01A 0.9700 . ? C01 H01B 0.9700 . ? C02 H02A 0.9700 . ? C02 H02B 0.9700 . ? C40 H40A 0.9600 . ? C40 H40B 0.9600 . ? C40 H40C 0.9600 . ? C70 H70A 0.9600 . ? C70 H70B 0.9600 . ? C70 H70C 0.9600 . ? C43 H43A 0.9600 . ? C43 H43B 0.9600 . ? C43 H43C 0.9600 . ? C03 H03A 0.9700 . ? C03 H03B 0.9700 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? 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 C21 Pt1 C31 91.12(19) . . ? C21 Pt1 N1 93.48(17) . . ? C31 Pt1 N1 175.36(16) . . ? C21 Pt1 N2 172.62(17) . . ? C31 Pt1 N2 96.16(17) . . ? N1 Pt1 N2 79.24(14) . . ? C61 Pt2 C71 92.0(2) . . ? C61 Pt2 N4 173.90(18) . . ? C71 Pt2 N4 94.06(18) . . ? C61 Pt2 N3 94.77(18) . . ? C71 Pt2 N3 173.19(18) . . ? N4 Pt2 N3 79.13(15) . . ? C58 Si4 C59 110.5(3) . . ? C58 Si4 C60 110.1(3) . . ? C59 Si4 C60 110.9(3) . . ? C58 Si4 C57 107.7(3) . . ? C59 Si4 C57 110.3(3) . . ? C60 Si4 C57 107.2(3) . . ? C18 Si2 C20 110.6(4) . . ? C18 Si2 C17 107.1(3) . . ? C20 Si2 C17 109.6(3) . . ? C18 Si2 C19 112.2(4) . . ? C20 Si2 C19 109.8(4) . . ? C17 Si2 C19 107.4(3) . . ? C2 Si1 C4 106.5(3) . . ? C2 Si1 C1 112.7(4) . . ? C4 Si1 C1 107.7(3) . . ? C2 Si1 C3 110.3(4) . . ? C4 Si1 C3 108.9(3) . . ? C1 Si1 C3 110.6(3) . . ? C41 Si3 C44 107.4(5) . . ? C41 Si3 C42 112.3(7) . . ? C44 Si3 C42 109.7(3) . . ? C41 Si3 C43 112.3(8) . . ? C44 Si3 C43 106.0(4) . . ? C42 Si3 C43 109.0(6) . . ? C15 N2 C11 119.3(4) . . ? C15 N2 Pt1 126.2(3) . . ? C11 N2 Pt1 114.4(3) . . ? C6 N1 C10 119.0(4) . . ? C6 N1 Pt1 125.6(3) . . ? C10 N1 Pt1 115.2(3) . . ? C55 N4 C51 119.3(4) . . ? C55 N4 Pt2 125.4(3) . . ? C51 N4 Pt2 115.3(3) . . ? C4 C5 C7 178.8(6) . . ? C8 C9 C10 120.2(5) . . ? C8 C9 H9A 119.9 . . ? C10 C9 H9A 119.9 . . ? C46 N3 C50 118.6(4) . . ? C46 N3 Pt2 126.1(4) . . ? C50 N3 Pt2 115.2(3) . . ? N4 C51 C52 120.9(4) . . ? N4 C51 C50 115.5(4) . . ? C52 C51 C50 123.5(5) . . ? C32 C31 Pt1 177.9(4) . . ? C62 C61 Pt2 173.3(5) . . ? C22 C21 Pt1 170.9(4) . . ? N3 C50 C49 121.1(4) . . ? N3 C50 C51 114.8(4) . . ? C49 C50 C51 124.1(5) . . ? N2 C15 C14 122.5(4) . . ? N2 C15 H15A 118.7 . . ? C14 C15 H15A 118.7 . . ? C71 C72 C73 174.8(5) . . ? N2 C11 C12 120.4(4) . . ? N2 C11 C10 115.8(4) . . ? C12 C11 C10 123.7(4) . . ? C5 C4 Si1 177.8(5) . . ? C13 C12 C11 119.9(4) . . ? C13 C12 H12A 120.0 . . ? C11 C12 H12A 120.0 . . ? C57 C56 C54 177.6(6) . . ? C31 C32 C33 178.9(5) . . ? C25 C24 C23 120.5(5) . . ? C25 C24 H24A 119.7 . . ? C23 C24 H24A 119.7 . . ? C78 C73 C74 117.3(5) . . ? C78 C73 C72 120.9(5) . . ? C74 C73 C72 121.8(5) . . ? N4 C55 C54 122.2(5) . . ? N4 C55 H55A 118.9 . . ? C54 C55 H55A 118.9 . . ? C55 C54 C53 118.6(5) . . ? C55 C54 C56 119.3(5) . . ? C53 C54 C56 122.1(5) . . ? N1 C10 C9 120.6(4) . . ? N1 C10 C11 115.2(4) . . ? C9 C10 C11 124.2(4) . . ? C48 C49 C50 120.1(5) . . ? C48 C49 H49A 119.9 . . ? C50 C49 H49A 119.9 . . ? C49 C48 C47 119.4(5) . . ? C49 C48 H48A 120.3 . . ? C47 C48 H48A 120.3 . . ? C9 C8 C7 119.1(4) . . ? C9 C8 H8A 120.5 . . ? C7 C8 H8A 120.5 . . ? N1 C6 C7 122.5(4) . . ? N1 C6 H6A 118.8 . . ? C7 C6 H6A 118.8 . . ? C37 C38 C33 120.6(6) . . ? C37 C38 H38A 119.7 . . ? C33 C38 H38A 119.7 . . ? C34 C33 C38 117.4(5) . . ? C34 C33 C32 122.2(5) . . ? C38 C33 C32 120.3(5) . . ? C72 C71 Pt2 173.0(5) . . ? C52 C53 C54 119.4(5) . . ? C52 C53 H53A 120.3 . . ? C54 C53 H53A 120.3 . . ? C13 C14 C15 118.0(4) . . ? C13 C14 C16 120.8(4) . . ? C15 C14 C16 121.2(5) . . ? C78 C77 C76 120.7(5) . . ? C78 C77 H77A 119.6 . . ? C76 C77 H77A 119.6 . . ? C28 C23 C24 118.0(4) . . ? C28 C23 C22 120.9(5) . . ? C24 C23 C22 121.0(4) . . ? C25 C26 C27 117.9(5) . . ? C25 C26 C29 121.4(5) . . ? C27 C26 C29 120.7(5) . . ? C76 C75 C74 122.0(5) . . ? C76 C75 H75A 119.0 . . ? C74 C75 H75A 119.0 . . ? C56 C57 Si4 177.3(5) . . ? N3 C46 C47 123.1(5) . . ? N3 C46 H46A 118.5 . . ? C47 C46 H46A 118.5 . . ? C61 C62 C63 178.8(6) . . ? C12 C13 C14 119.7(4) . . ? C12 C13 H13A 120.1 . . ? C14 C13 H13A 120.1 . . ? C48 C47 C46 117.7(5) . . ? C48 C47 C45 122.4(5) . . ? C46 C47 C45 119.9(5) . . ? C6 C7 C8 118.5(4) . . ? C6 C7 C5 119.6(4) . . ? C8 C7 C5 121.9(4) . . ? C17 C16 C14 176.9(6) . . ? C27 C28 C23 120.8(5) . . ? C27 C28 H28A 119.6 . . ? C23 C28 H28A 119.6 . . ? C75 C76 C77 117.4(5) . . ? C75 C76 C79 121.4(5) . . ? C77 C76 C79 121.2(5) . . ? C77 C78 C73 121.9(5) . . ? C77 C78 H78A 119.0 . . ? C73 C78 H78A 119.0 . . ? C26 C25 C24 121.5(5) . . ? C26 C25 H25A 119.3 . . ? C24 C25 H25A 119.3 . . ? C26 C27 C28 121.3(5) . . ? C26 C27 H27A 119.4 . . ? C28 C27 H27A 119.4 . . ? C21 C22 C23 175.9(6) . . ? C44 C45 C47 176.3(7) . . ? C73 C74 C75 120.6(5) . . ? C73 C74 H74A 119.7 . . ? C75 C74 H74A 119.7 . . ? C16 C17 Si2 175.2(5) . . ? C36 C37 C38 121.9(6) . . ? C36 C37 H37A 119.1 . . ? C38 C37 H37A 119.1 . . ? Si4 C58 H58A 109.5 . . ? Si4 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? Si4 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? C80 C79 C76 116.5(6) . . ? C80 C79 H79A 108.2 . . ? C76 C79 H79A 108.2 . . ? C80 C79 H79B 108.2 . . ? C76 C79 H79B 108.2 . . ? H79A C79 H79B 107.3 . . ? C37 C36 C35 117.6(5) . . ? C37 C36 C39 120.9(6) . . ? C35 C36 C39 121.6(6) . . ? C67 C68 C63 120.6(6) . . ? C67 C68 H68A 119.7 . . ? C63 C68 H68A 119.7 . . ? C53 C52 C51 119.5(5) . . ? C53 C52 H52A 120.2 . . ? C51 C52 H52A 120.2 . . ? C64 C63 C68 117.3(5) . . ? C64 C63 C62 121.6(6) . . ? C68 C63 C62 121.2(5) . . ? C36 C35 C34 121.6(6) . . ? C36 C35 H35A 119.2 . . ? C34 C35 H35A 119.2 . . ? C65 C64 C63 121.5(6) . . ? C65 C64 H64A 119.2 . . ? C63 C64 H64A 119.2 . . ? C33 C34 C35 120.9(6) . . ? C33 C34 H34A 119.5 . . ? C35 C34 H34A 119.5 . . ? Si4 C60 H60A 109.5 . . ? Si4 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? Si4 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C45 C44 Si3 174.9(6) . . ? C65 C66 C67 117.4(6) . . ? C65 C66 C69 119.4(7) . . ? C67 C66 C69 123.0(8) . . ? Si4 C59 H59A 109.5 . . ? Si4 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? Si4 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? Si1 C3 H3A 109.5 . . ? Si1 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? Si1 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? C26 C29 C30 111.2(5) . . ? C26 C29 H29A 109.4 . . ? C30 C29 H29A 109.4 . . ? C26 C29 H29B 109.4 . . ? C30 C29 H29B 109.4 . . ? H29A C29 H29B 108.0 . . ? C66 C65 C64 121.6(6) . . ? C66 C65 H65A 119.2 . . ? C64 C65 H65A 119.2 . . ? Si2 C18 H18A 109.5 . . ? Si2 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? Si2 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? Si1 C1 H1A 109.5 . . ? Si1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? Si1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? Si2 C20 H20A 109.5 . . ? Si2 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? Si2 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C66 C67 C68 121.5(7) . . ? C66 C67 H67A 119.2 . . ? C68 C67 H67A 119.2 . . ? C40 C39 C36 112.8(6) . . ? C40 C39 H39A 109.0 . . ? C36 C39 H39A 109.0 . . ? C40 C39 H39B 109.0 . . ? C36 C39 H39B 109.0 . . ? H39A C39 H39B 107.8 . . ? C79 C80 H80A 109.5 . . ? C79 C80 H80B 109.5 . . ? H80A C80 H80B 109.5 . . ? C79 C80 H80C 109.5 . . ? H80A C80 H80C 109.5 . . ? H80B C80 H80C 109.5 . . ? C29 C30 H30A 109.5 . . ? C29 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C29 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? Si3 C42 H42A 109.5 . . ? Si3 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? Si3 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? Si2 C19 H19A 109.5 . . ? Si2 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? Si2 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C70 C69 C66 116.6(10) . . ? C70 C69 H69A 108.1 . . ? C66 C69 H69A 108.1 . . ? C70 C69 H69B 108.1 . . ? C66 C69 H69B 108.1 . . ? H69A C69 H69B 107.3 . . ? Si1 C2 H2A 109.5 . . ? Si1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? Si1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? Cl1 C01 Cl2 111.6(4) . . ? Cl1 C01 H01A 109.3 . . ? Cl2 C01 H01A 109.3 . . ? Cl1 C01 H01B 109.3 . . ? Cl2 C01 H01B 109.3 . . ? H01A C01 H01B 108.0 . . ? Cl4 C02 Cl3 113.2(6) . . ? Cl4 C02 H02A 108.9 . . ? Cl3 C02 H02A 108.9 . . ? Cl4 C02 H02B 108.9 . . ? Cl3 C02 H02B 108.9 . . ? H02A C02 H02B 107.7 . . ? C39 C40 H40A 109.5 . . ? C39 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C39 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C69 C70 H70A 109.5 . . ? C69 C70 H70B 109.5 . . ? H70A C70 H70B 109.5 . . ? C69 C70 H70C 109.5 . . ? H70A C70 H70C 109.5 . . ? H70B C70 H70C 109.5 . . ? Si3 C43 H43A 109.5 . . ? Si3 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? Si3 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? Cl5 C03 Cl6 108.8(6) . . ? Cl5 C03 H03A 109.9 . . ? Cl6 C03 H03A 109.9 . . ? Cl5 C03 H03B 109.9 . . ? Cl6 C03 H03B 109.9 . . ? H03A C03 H03B 108.3 . . ? Si3 C41 H41A 109.5 . . ? Si3 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? Si3 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.335 _refine_diff_density_min -1.168 _refine_diff_density_rms 0.100 _database_code_depnum_ccdc_archive 'CCDC 929763' ####################################################################### # # 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_1_CH3CN #TrackingRef '1_CH3CN.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C84 H90 N6 Pt2 Si4' _chemical_formula_weight 1686.16 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' N N 0.0061 0.0033 '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' 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 'P 21/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 13.2821(3) _cell_length_b 30.6005(7) _cell_length_c 20.2538(4) _cell_angle_alpha 90.00 _cell_angle_beta 91.8230(10) _cell_angle_gamma 90.00 _cell_volume 8227.8(3) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 9974 _cell_measurement_theta_min 2.25 _cell_measurement_theta_max 26.79 _exptl_crystal_description block _exptl_crystal_colour dark-brown _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.361 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3392 _exptl_absorpt_coefficient_mu 3.499 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.663 _exptl_absorpt_correction_T_max 0.709 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 'Bruker Smart APEXII' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 54141 _diffrn_reflns_av_R_equivalents 0.0447 _diffrn_reflns_av_sigmaI/netI 0.0508 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -36 _diffrn_reflns_limit_k_max 30 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.98 _diffrn_reflns_theta_max 25.00 _reflns_number_total 14460 _reflns_number_gt 10809 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+11.5105P] 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 14460 _refine_ls_number_parameters 867 _refine_ls_number_restraints 31 _refine_ls_R_factor_all 0.0612 _refine_ls_R_factor_gt 0.0365 _refine_ls_wR_factor_ref 0.0826 _refine_ls_wR_factor_gt 0.0737 _refine_ls_goodness_of_fit_ref 1.021 _refine_ls_restrained_S_all 1.034 _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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.3356(6) -0.1997(2) -0.1853(4) 0.104(3) Uani 1 1 d . . . H1A H 0.2714 -0.1956 -0.1659 0.157 Uiso 1 1 calc R . . H1B H 0.3876 -0.1997 -0.1513 0.157 Uiso 1 1 calc R . . H1C H 0.3361 -0.2272 -0.2083 0.157 Uiso 1 1 calc R . . C01 C 0.5810(6) 0.0759(3) 0.7291(4) 0.085(2) Uani 1 1 d . . . H01A H 0.6156 0.1034 0.7281 0.128 Uiso 1 1 calc R . . H01B H 0.6022 0.0579 0.6933 0.128 Uiso 1 1 calc R . . H01C H 0.5964 0.0614 0.7703 0.128 Uiso 1 1 calc R . . C2 C 0.4826(5) -0.1628(2) -0.2830(4) 0.082(2) Uani 1 1 d . . . H2A H 0.4933 -0.1396 -0.3140 0.124 Uiso 1 1 calc R . . H2B H 0.4832 -0.1904 -0.3055 0.124 Uiso 1 1 calc R . . H2C H 0.5353 -0.1623 -0.2494 0.124 Uiso 1 1 calc R . . C02 C 0.4742(7) 0.0832(2) 0.7227(3) 0.068(2) Uani 1 1 d . . . C3 C 0.2571(7) -0.1502(3) -0.3077(5) 0.146(5) Uani 1 1 d . . . H3A H 0.2723 -0.1267 -0.3372 0.218 Uiso 1 1 calc R . . H3B H 0.1945 -0.1443 -0.2870 0.218 Uiso 1 1 calc R . . H3C H 0.2518 -0.1770 -0.3322 0.218 Uiso 1 1 calc R . . C03 C 0.1026(6) 0.1887(2) 0.1129(4) 0.087(2) Uani 1 1 d . . . H03A H 0.1239 0.1905 0.1585 0.131 Uiso 1 1 calc R . . H03B H 0.1287 0.2132 0.0893 0.131 Uiso 1 1 calc R . . H03C H 0.1273 0.1621 0.0943 0.131 Uiso 1 1 calc R . . C4 C 0.3628(4) -0.1040(2) -0.1969(3) 0.0522(16) Uani 1 1 d . . . C04 C -0.0040(8) 0.1891(3) 0.1078(5) 0.093(3) Uani 1 1 d . . . C5 C 0.3647(4) -0.0697(2) -0.1688(3) 0.0419(14) Uani 1 1 d . . . C6 C 0.3729(3) -0.02790(17) -0.0650(3) 0.0357(13) Uani 1 1 d . . . H6A H 0.3807 -0.0543 -0.0426 0.043 Uiso 1 1 calc R . . C7 C 0.3642(3) -0.02836(19) -0.1331(3) 0.0388(14) Uani 1 1 d . . . C8 C 0.3541(4) 0.01115(18) -0.1669(3) 0.0381(13) Uani 1 1 d . . . H8A H 0.3476 0.0116 -0.2128 0.046 Uiso 1 1 calc R . . C9 C 0.3539(4) 0.04908(18) -0.1319(3) 0.0375(13) Uani 1 1 d . . . H9A H 0.3486 0.0757 -0.1539 0.045 Uiso 1 1 calc R . . C10 C 0.3617(3) 0.04810(17) -0.0624(3) 0.0335(12) Uani 1 1 d . . . C11 C 0.3635(3) 0.08729(17) -0.0218(3) 0.0325(12) Uani 1 1 d . . . C12 C 0.3579(4) 0.12939(19) -0.0455(3) 0.0448(14) Uani 1 1 d . . . H12A H 0.3533 0.1344 -0.0907 0.054 Uiso 1 1 calc R . . C13 C 0.3591(4) 0.16402(19) -0.0023(3) 0.0523(16) Uani 1 1 d . . . H13A H 0.3562 0.1925 -0.0183 0.063 Uiso 1 1 calc R . . C14 C 0.3645(4) 0.15643(19) 0.0651(3) 0.0437(14) Uani 1 1 d . . . C15 C 0.3703(4) 0.11367(18) 0.0864(3) 0.0411(14) Uani 1 1 d . . . H15A H 0.3746 0.1081 0.1315 0.049 Uiso 1 1 calc R . . C16 C 0.3645(4) 0.19248(19) 0.1101(3) 0.0521(16) Uani 1 1 d . . . C17 C 0.3619(5) 0.2245(2) 0.1438(3) 0.0593(17) Uani 1 1 d . . . C18 C 0.3234(7) 0.2682(3) 0.2742(4) 0.110(3) Uani 1 1 d . . . H18A H 0.2565 0.2563 0.2745 0.165 Uiso 1 1 calc R . . H18B H 0.3250 0.2955 0.2977 0.165 Uiso 1 1 calc R . . H18C H 0.3696 0.2481 0.2953 0.165 Uiso 1 1 calc R . . C19 C 0.4887(6) 0.3009(2) 0.1853(5) 0.118(4) Uani 1 1 d . . . H19A H 0.5057 0.3056 0.1402 0.177 Uiso 1 1 calc R . . H19B H 0.5361 0.2810 0.2057 0.177 Uiso 1 1 calc R . . H19C H 0.4908 0.3282 0.2086 0.177 Uiso 1 1 calc R . . C20 C 0.2676(6) 0.3124(2) 0.1440(4) 0.087(2) Uani 1 1 d . . . H20A H 0.2017 0.2998 0.1466 0.130 Uiso 1 1 calc R . . H20B H 0.2851 0.3148 0.0985 0.130 Uiso 1 1 calc R . . H20C H 0.2677 0.3409 0.1637 0.130 Uiso 1 1 calc R . . C21 C 0.3869(4) -0.0484(2) 0.0840(3) 0.0387(13) Uani 1 1 d . . . C22 C 0.3915(4) -0.0878(2) 0.0834(3) 0.0414(14) Uani 1 1 d . . . C23 C 0.3918(4) -0.13492(19) 0.0766(3) 0.0457(15) Uani 1 1 d . . . C24 C 0.3673(5) -0.1535(2) 0.0152(3) 0.071(2) Uani 1 1 d . . . H24A H 0.3512 -0.1354 -0.0205 0.085 Uiso 1 1 calc R . . C25 C 0.3666(7) -0.1983(2) 0.0070(4) 0.097(3) Uani 1 1 d . . . H25A H 0.3483 -0.2099 -0.0341 0.117 Uiso 1 1 calc R . . C26 C 0.3924(7) -0.2259(2) 0.0582(4) 0.098(3) Uani 1 1 d . . . C27 C 0.4155(7) -0.2070(3) 0.1183(4) 0.103(3) Uani 1 1 d . . . H27A H 0.4318 -0.2248 0.1543 0.124 Uiso 1 1 calc R . . C28 C 0.4153(6) -0.1628(2) 0.1269(3) 0.076(2) Uani 1 1 d . . . H28A H 0.4317 -0.1514 0.1685 0.091 Uiso 1 1 calc R . . C29 C 0.3965(11) -0.2750(3) 0.0483(6) 0.161(6) Uani 1 1 d . . . H29A H 0.3769 -0.2897 0.0884 0.194 Uiso 1 1 calc R . . H29B H 0.3495 -0.2835 0.0130 0.194 Uiso 1 1 calc R . . C30 C 0.5021(13) -0.2889(4) 0.0313(8) 0.226(9) Uani 1 1 d . . . H30A H 0.5039 -0.3201 0.0255 0.339 Uiso 1 1 calc R . . H30B H 0.5484 -0.2807 0.0665 0.339 Uiso 1 1 calc R . . H30C H 0.5208 -0.2749 -0.0089 0.339 Uiso 1 1 calc R . . C31 C 0.3853(4) 0.02306(17) 0.1665(3) 0.0401(14) Uani 1 1 d . . . C32 C 0.3888(4) 0.0299(2) 0.2254(3) 0.0487(15) Uani 1 1 d . . . C33 C 0.3924(4) 0.0366(2) 0.2953(3) 0.0524(16) Uani 1 1 d . . . C34 C 0.3068(5) 0.0346(3) 0.3312(4) 0.097(3) Uani 1 1 d . . . H34A H 0.2451 0.0295 0.3095 0.117 Uiso 1 1 calc R . . C35 C 0.3107(6) 0.0400(3) 0.3989(4) 0.115(3) Uani 1 1 d . . . H35A H 0.2512 0.0382 0.4217 0.138 Uiso 1 1 calc R . . C36 C 0.3988(6) 0.0478(3) 0.4336(3) 0.079(2) Uani 1 1 d . . . C37 C 0.4844(5) 0.0502(2) 0.3971(3) 0.075(2) Uani 1 1 d . . . H37A H 0.5458 0.0559 0.4188 0.090 Uiso 1 1 calc R . . C38 C 0.4824(5) 0.0444(2) 0.3301(3) 0.0625(18) Uani 1 1 d . . . H38A H 0.5422 0.0457 0.3075 0.075 Uiso 1 1 calc R . . C39 C 0.4007(7) 0.0545(3) 0.5085(4) 0.108(3) Uani 1 1 d . . . H39A H 0.3585 0.0325 0.5282 0.129 Uiso 1 1 calc R . . H39B H 0.4690 0.0503 0.5257 0.129 Uiso 1 1 calc R . . C40 C 0.3678(11) 0.0953(4) 0.5270(5) 0.185(6) Uani 1 1 d . . . H40A H 0.3702 0.0974 0.5743 0.278 Uiso 1 1 calc R . . H40B H 0.2999 0.0996 0.5108 0.278 Uiso 1 1 calc R . . H40C H 0.4105 0.1172 0.5089 0.278 Uiso 1 1 calc R . . C44 C 0.1692(5) -0.0893(3) 0.3364(3) 0.073(2) Uani 1 1 d . . . C45 C 0.1602(4) -0.0792(2) 0.2787(3) 0.0577(17) Uani 1 1 d . . . C46 C 0.1456(4) -0.0319(2) 0.1788(3) 0.0445(15) Uani 1 1 d . . . H46A H 0.1459 -0.0073 0.2058 0.053 Uiso 1 1 calc R . . C47 C 0.1518(4) -0.0734(2) 0.2083(3) 0.0465(15) Uani 1 1 d . . . C48 C 0.1512(4) -0.1095(2) 0.1672(3) 0.0517(16) Uani 1 1 d . . . H48A H 0.1548 -0.1374 0.1852 0.062 Uiso 1 1 calc R . . C49 C 0.1455(4) -0.1042(2) 0.1004(3) 0.0471(15) Uani 1 1 d . . . H49A H 0.1450 -0.1284 0.0726 0.057 Uiso 1 1 calc R . . C50 C 0.1405(4) -0.0629(2) 0.0744(3) 0.0412(14) Uani 1 1 d . . . C51 C 0.1337(3) -0.05377(19) 0.0025(3) 0.0366(13) Uani 1 1 d . . . C52 C 0.1323(4) -0.08619(19) -0.0451(3) 0.0423(14) Uani 1 1 d . . . H52A H 0.1368 -0.1154 -0.0328 0.051 Uiso 1 1 calc R . . C53 C 0.1241(4) -0.0748(2) -0.1106(3) 0.0447(15) Uani 1 1 d . . . H53A H 0.1233 -0.0963 -0.1431 0.054 Uiso 1 1 calc R . . C54 C 0.1170(4) -0.0310(2) -0.1280(3) 0.0425(14) Uani 1 1 d . . . C55 C 0.1193(3) -0.00021(18) -0.0786(3) 0.0361(13) Uani 1 1 d . . . H55A H 0.1151 0.0292 -0.0902 0.043 Uiso 1 1 calc R . . C56 C 0.1091(4) -0.01737(19) -0.1957(3) 0.0461(14) Uani 1 1 d . . . C57 C 0.1064(4) -0.0060(2) -0.2528(3) 0.0533(16) Uani 1 1 d . . . C58 C 0.1221(6) 0.0696(2) -0.3455(4) 0.091(3) Uani 1 1 d . . . H58A H 0.0625 0.0827 -0.3287 0.137 Uiso 1 1 calc R . . H58B H 0.1292 0.0780 -0.3908 0.137 Uiso 1 1 calc R . . H58C H 0.1799 0.0792 -0.3198 0.137 Uiso 1 1 calc R . . C59 C -0.0038(5) -0.0113(2) -0.3832(3) 0.075(2) Uani 1 1 d . . . H59A H -0.0064 -0.0425 -0.3796 0.113 Uiso 1 1 calc R . . H59B H -0.0031 -0.0032 -0.4290 0.113 Uiso 1 1 calc R . . H59C H -0.0619 0.0012 -0.3634 0.113 Uiso 1 1 calc R . . C60 C 0.2261(6) -0.0171(3) -0.3724(4) 0.114(3) Uani 1 1 d . . . H60A H 0.2197 -0.0483 -0.3692 0.172 Uiso 1 1 calc R . . H60B H 0.2843 -0.0077 -0.3469 0.172 Uiso 1 1 calc R . . H60C H 0.2334 -0.0090 -0.4177 0.172 Uiso 1 1 calc R . . C61 C 0.1312(4) 0.0696(2) 0.1417(3) 0.0447(15) Uani 1 1 d . . . C62 C 0.1299(4) 0.0904(2) 0.1927(3) 0.0528(16) Uani 1 1 d . . . C63 C 0.1321(5) 0.1155(2) 0.2528(3) 0.0542(16) Uani 1 1 d . . . C64 C 0.2198(6) 0.1331(3) 0.2783(4) 0.109(3) Uani 1 1 d . . . H64A H 0.2788 0.1301 0.2552 0.131 Uiso 1 1 calc R . . C65 C 0.2225(7) 0.1554(3) 0.3375(5) 0.116(3) Uani 1 1 d . . . H65A H 0.2837 0.1667 0.3532 0.139 Uiso 1 1 calc R . . C66 C 0.1386(7) 0.1615(2) 0.3741(4) 0.077(2) Uani 1 1 d . . . C67 C 0.0519(6) 0.1440(3) 0.3482(4) 0.082(2) Uani 1 1 d . . . H67A H -0.0071 0.1476 0.3711 0.098 Uiso 1 1 calc R . . C68 C 0.0478(5) 0.1210(2) 0.2891(3) 0.0656(18) Uani 1 1 d . . . H68A H -0.0131 0.1092 0.2739 0.079 Uiso 1 1 calc R . . C71 C 0.1168(4) 0.0838(2) 0.0067(3) 0.0451(15) Uani 1 1 d . . . C72 C 0.1051(4) 0.1122(2) -0.0334(3) 0.0480(15) Uani 1 1 d . . . C73 C 0.0863(4) 0.1435(2) -0.0853(3) 0.0543(16) Uani 1 1 d . . . C74 C 0.0361(7) 0.1823(2) -0.0735(4) 0.090(3) Uani 1 1 d . . . H74A H 0.0182 0.1896 -0.0308 0.108 Uiso 1 1 calc R . . C75 C 0.0124(7) 0.2104(3) -0.1257(5) 0.104(3) Uani 1 1 d . . . H75A H -0.0214 0.2363 -0.1168 0.124 Uiso 1 1 calc R . . C76 C 0.0369(6) 0.2016(3) -0.1903(5) 0.083(2) Uani 1 1 d . . . C77 C 0.0849(5) 0.1626(3) -0.2012(4) 0.078(2) Uani 1 1 d . . . H77A H 0.1008 0.1549 -0.2440 0.094 Uiso 1 1 calc R . . C78 C 0.1101(5) 0.1346(2) -0.1497(4) 0.069(2) Uani 1 1 d . . . H78A H 0.1443 0.1089 -0.1589 0.083 Uiso 1 1 calc R . . C79 C 0.0064(8) 0.2319(3) -0.2468(5) 0.117(3) Uani 1 1 d . . . H79A H 0.0224 0.2619 -0.2347 0.140 Uiso 1 1 calc R . . H79B H 0.0440 0.2245 -0.2855 0.140 Uiso 1 1 calc R . . C80 C -0.1046(9) 0.2280(5) -0.2626(6) 0.215(8) Uani 1 1 d . . . H80A H -0.1227 0.2468 -0.2989 0.323 Uiso 1 1 calc R . . H80B H -0.1418 0.2362 -0.2246 0.323 Uiso 1 1 calc R . . H80C H -0.1204 0.1983 -0.2743 0.323 Uiso 1 1 calc R . . C41 C 0.0978(8) -0.0906(4) 0.4769(5) 0.170(4) Uani 1 1 d DU . . H41A H 0.1022 -0.0594 0.4814 0.255 Uiso 1 1 calc R . . H41B H 0.1093 -0.1040 0.5193 0.255 Uiso 1 1 calc R . . H41C H 0.0319 -0.0984 0.4598 0.255 Uiso 1 1 calc R . . C42 C 0.3176(7) -0.0952(5) 0.4508(7) 0.229(6) Uani 1 1 d DU . . H42A H 0.3261 -0.0641 0.4493 0.343 Uiso 1 1 calc R . . H42B H 0.3662 -0.1090 0.4236 0.343 Uiso 1 1 calc R . . H42C H 0.3271 -0.1051 0.4955 0.343 Uiso 1 1 calc R . . C43 C 0.1846(13) -0.1703(3) 0.4184(8) 0.259(7) Uani 1 1 d DU . . H43A H 0.1287 -0.1792 0.3903 0.389 Uiso 1 1 calc R . . H43B H 0.1756 -0.1813 0.4622 0.389 Uiso 1 1 calc R . . H43C H 0.2459 -0.1818 0.4015 0.389 Uiso 1 1 calc R . . N1 N 0.3704(3) 0.00938(14) -0.0301(2) 0.0315(10) Uani 1 1 d . . . N01 N 0.3913(6) 0.0899(3) 0.7187(4) 0.109(3) Uani 1 1 d . . . N2 N 0.3700(3) 0.07978(14) 0.0443(2) 0.0353(10) Uani 1 1 d . . . N02 N -0.0889(7) 0.1892(3) 0.1049(5) 0.153(4) Uani 1 1 d . . . N3 N 0.1393(3) -0.02651(15) 0.1133(2) 0.0380(11) Uani 1 1 d . . . N4 N 0.1273(3) -0.01089(15) -0.0139(2) 0.0361(10) Uani 1 1 d . . . Pt1 Pt 0.377902(14) 0.014249(7) 0.071020(10) 0.03248(7) Uani 1 1 d . . . Pt2 Pt 0.130881(14) 0.032656(8) 0.063746(11) 0.03879(7) Uani 1 1 d . . . Si1 Si 0.35838(14) -0.15499(7) -0.24410(10) 0.0675(6) Uani 1 1 d . . . Si2 Si 0.35994(16) 0.27742(6) 0.18827(11) 0.0718(6) Uani 1 1 d . . . Si3 Si 0.1916(2) -0.10927(11) 0.42078(11) 0.1102(10) Uani 1 1 d DU . . Si4 Si 0.11188(13) 0.00926(7) -0.34002(9) 0.0587(5) Uani 1 1 d . . . C70 C 0.2110(10) 0.2181(4) 0.4489(6) 0.179(5) Uani 1 1 d U . . H70A H 0.2084 0.2307 0.4922 0.269 Uiso 1 1 calc R . . H70B H 0.1956 0.2400 0.4163 0.269 Uiso 1 1 calc R . . H70C H 0.2773 0.2067 0.4423 0.269 Uiso 1 1 calc R . . C69 C 0.1377(8) 0.1828(3) 0.4427(5) 0.126(4) Uani 1 1 d U . . H69A H 0.0710 0.1942 0.4504 0.151 Uiso 1 1 calc R . . H69B H 0.1529 0.1608 0.4761 0.151 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 C1 0.103(7) 0.069(6) 0.143(8) -0.021(5) 0.022(6) -0.013(5) C01 0.087(6) 0.087(6) 0.081(6) 0.008(4) 0.010(5) 0.017(5) C2 0.091(6) 0.080(5) 0.077(5) -0.029(4) 0.008(4) 0.021(4) C02 0.081(5) 0.068(5) 0.054(4) 0.019(3) 0.002(4) -0.017(4) C3 0.104(7) 0.164(10) 0.164(10) -0.095(8) -0.068(7) 0.048(7) C03 0.086(6) 0.078(6) 0.097(6) -0.018(4) -0.003(5) -0.007(5) C4 0.037(3) 0.064(4) 0.056(4) -0.016(3) 0.007(3) 0.000(3) C04 0.088(6) 0.075(6) 0.118(7) -0.047(5) 0.023(6) -0.016(5) C5 0.023(3) 0.056(4) 0.047(4) -0.009(3) 0.003(2) -0.002(3) C6 0.027(3) 0.038(3) 0.043(3) -0.011(3) 0.008(2) 0.004(2) C7 0.020(3) 0.056(4) 0.040(3) -0.012(3) 0.006(2) -0.002(2) C8 0.036(3) 0.052(4) 0.027(3) -0.005(3) 0.005(2) -0.003(3) C9 0.028(3) 0.042(3) 0.042(3) 0.004(3) 0.003(2) -0.002(2) C10 0.017(2) 0.044(3) 0.040(3) -0.006(3) 0.004(2) 0.000(2) C11 0.019(2) 0.045(4) 0.033(3) -0.006(2) 0.001(2) -0.004(2) C12 0.039(3) 0.050(4) 0.045(4) 0.002(3) 0.002(3) -0.004(3) C13 0.053(4) 0.034(4) 0.069(5) -0.007(3) -0.001(3) -0.002(3) C14 0.034(3) 0.045(4) 0.052(4) -0.011(3) 0.003(3) -0.006(3) C15 0.027(3) 0.049(4) 0.048(4) -0.012(3) 0.000(2) -0.001(3) C16 0.050(4) 0.040(4) 0.067(4) -0.014(3) -0.002(3) -0.001(3) C17 0.052(4) 0.053(4) 0.072(5) -0.009(4) -0.002(3) 0.000(3) C18 0.140(8) 0.114(7) 0.074(6) -0.033(5) -0.019(5) 0.056(6) C19 0.093(6) 0.067(6) 0.192(10) -0.050(6) -0.028(6) -0.006(5) C20 0.101(6) 0.068(5) 0.091(6) -0.023(4) -0.011(5) 0.018(4) C21 0.026(3) 0.053(4) 0.037(3) -0.001(3) -0.001(2) -0.001(3) C22 0.029(3) 0.059(4) 0.035(3) 0.001(3) -0.001(2) 0.001(3) C23 0.039(3) 0.041(4) 0.057(4) 0.005(3) -0.008(3) -0.002(3) C24 0.093(6) 0.054(5) 0.064(5) 0.011(4) -0.021(4) -0.001(4) C25 0.152(8) 0.058(5) 0.078(6) -0.002(4) -0.043(6) -0.013(5) C26 0.154(8) 0.045(5) 0.093(7) 0.011(4) -0.038(6) -0.017(5) C27 0.179(9) 0.056(5) 0.071(6) 0.016(4) -0.034(6) -0.005(5) C28 0.116(6) 0.050(5) 0.061(5) 0.005(4) -0.020(4) -0.006(4) C29 0.309(19) 0.050(6) 0.120(9) 0.005(6) -0.071(11) -0.027(8) C30 0.37(3) 0.074(8) 0.243(18) -0.013(9) 0.081(17) 0.045(12) C31 0.022(3) 0.050(4) 0.048(4) -0.002(3) 0.005(2) 0.001(2) C32 0.039(3) 0.065(4) 0.042(4) -0.007(3) 0.003(3) 0.002(3) C33 0.050(4) 0.066(4) 0.041(4) -0.008(3) 0.002(3) -0.002(3) C34 0.050(4) 0.193(9) 0.049(5) -0.030(5) 0.011(4) -0.020(5) C35 0.068(5) 0.218(11) 0.060(6) -0.037(6) 0.025(4) -0.031(6) C36 0.074(5) 0.126(7) 0.038(4) -0.009(4) 0.004(4) -0.004(5) C37 0.060(4) 0.121(6) 0.042(4) -0.007(4) -0.011(3) -0.002(4) C38 0.049(4) 0.099(6) 0.039(4) -0.004(3) 0.001(3) -0.001(4) C39 0.118(7) 0.158(9) 0.048(5) -0.013(5) 0.006(5) -0.018(7) C40 0.35(2) 0.144(10) 0.066(7) -0.039(7) -0.005(9) 0.049(11) C44 0.064(5) 0.112(6) 0.043(4) 0.000(4) -0.005(3) 0.017(4) C45 0.044(4) 0.080(5) 0.049(4) -0.004(3) 0.001(3) 0.003(3) C46 0.020(3) 0.072(4) 0.041(4) -0.010(3) 0.001(2) 0.003(3) C47 0.027(3) 0.071(5) 0.041(4) 0.003(3) -0.001(2) -0.004(3) C48 0.042(3) 0.065(4) 0.049(4) 0.010(3) 0.007(3) -0.009(3) C49 0.040(3) 0.058(4) 0.044(4) 0.001(3) 0.008(3) -0.014(3) C50 0.021(3) 0.059(4) 0.043(4) -0.006(3) -0.003(2) -0.007(3) C51 0.018(3) 0.057(4) 0.034(3) -0.007(3) -0.002(2) -0.002(2) C52 0.030(3) 0.057(4) 0.040(4) -0.003(3) 0.002(2) -0.005(3) C53 0.029(3) 0.069(4) 0.036(4) -0.016(3) 0.004(2) -0.004(3) C54 0.020(3) 0.067(4) 0.041(4) -0.001(3) 0.003(2) -0.003(3) C55 0.028(3) 0.041(3) 0.040(4) 0.003(3) 0.003(2) -0.002(2) C56 0.034(3) 0.063(4) 0.041(4) -0.003(3) 0.002(3) -0.010(3) C57 0.036(3) 0.074(5) 0.050(4) -0.005(3) 0.001(3) -0.007(3) C58 0.077(5) 0.094(6) 0.102(6) 0.025(5) -0.008(5) -0.022(5) C59 0.085(5) 0.085(5) 0.054(4) -0.003(4) -0.011(4) -0.005(4) C60 0.092(6) 0.188(10) 0.066(6) 0.017(6) 0.032(5) 0.046(6) C61 0.020(3) 0.063(4) 0.051(4) 0.000(3) -0.001(3) -0.003(3) C62 0.035(3) 0.063(4) 0.060(5) -0.007(3) -0.001(3) -0.005(3) C63 0.054(4) 0.058(4) 0.051(4) -0.013(3) 0.000(3) 0.002(3) C64 0.063(5) 0.163(9) 0.101(7) -0.075(6) 0.014(5) -0.035(5) C65 0.087(6) 0.151(9) 0.108(8) -0.073(7) -0.003(6) -0.033(6) C66 0.100(6) 0.073(5) 0.059(5) -0.021(4) -0.007(5) 0.006(5) C67 0.087(6) 0.099(6) 0.060(5) -0.016(4) 0.017(4) 0.000(5) C68 0.060(4) 0.082(5) 0.055(4) -0.017(4) 0.002(3) -0.003(4) C71 0.019(3) 0.058(4) 0.059(4) -0.007(3) 0.002(3) 0.000(3) C72 0.030(3) 0.052(4) 0.063(4) -0.005(3) -0.002(3) -0.006(3) C73 0.040(3) 0.050(4) 0.072(5) 0.000(3) -0.008(3) -0.007(3) C74 0.132(8) 0.052(5) 0.084(6) -0.007(4) -0.017(5) 0.002(5) C75 0.136(8) 0.052(5) 0.121(8) 0.004(5) -0.019(7) 0.012(5) C76 0.099(6) 0.059(5) 0.092(7) 0.018(5) -0.010(5) -0.012(5) C77 0.070(5) 0.082(6) 0.082(6) 0.020(5) 0.013(4) -0.001(4) C78 0.053(4) 0.082(5) 0.074(5) 0.017(4) 0.015(4) 0.008(4) C79 0.144(9) 0.085(6) 0.121(8) 0.050(6) -0.009(7) 0.002(6) C80 0.152(12) 0.287(18) 0.206(15) 0.172(14) -0.014(10) 0.055(12) C41 0.179(8) 0.225(9) 0.105(7) 0.042(6) 0.013(6) 0.043(7) C42 0.197(8) 0.302(10) 0.184(9) 0.041(8) -0.028(8) -0.018(8) C43 0.318(11) 0.222(9) 0.235(11) 0.009(8) -0.025(9) 0.031(8) N1 0.019(2) 0.036(3) 0.039(3) -0.001(2) -0.0012(18) 0.0007(18) N01 0.082(5) 0.133(7) 0.111(6) 0.066(5) -0.004(5) -0.025(5) N2 0.025(2) 0.038(3) 0.043(3) -0.004(2) -0.0002(19) -0.0018(19) N02 0.083(6) 0.160(8) 0.217(11) -0.095(7) 0.036(7) -0.023(6) N3 0.017(2) 0.058(3) 0.039(3) -0.006(2) 0.0005(19) -0.0017(19) N4 0.021(2) 0.054(3) 0.033(3) -0.003(2) -0.0023(18) -0.005(2) Pt1 0.01973(10) 0.04313(13) 0.03459(12) -0.00476(9) 0.00086(8) -0.00030(9) Pt2 0.01971(11) 0.05469(15) 0.04185(14) -0.00722(10) -0.00067(9) -0.00161(9) Si1 0.0519(11) 0.0682(13) 0.0818(15) -0.0391(11) -0.0074(10) 0.0055(10) Si2 0.0812(14) 0.0520(12) 0.0809(15) -0.0289(10) -0.0175(11) 0.0118(10) Si3 0.112(2) 0.169(3) 0.0485(14) 0.0141(15) -0.0093(13) 0.0480(19) Si4 0.0491(10) 0.0863(14) 0.0406(10) 0.0067(9) 0.0021(8) 0.0025(10) C70 0.236(15) 0.176(12) 0.124(10) -0.048(9) -0.011(10) 0.007(10) C69 0.161(10) 0.104(7) 0.108(8) -0.050(6) -0.053(7) 0.000(6) _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 C1 Si1 1.845(8) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C01 C02 1.438(10) . ? C01 H01A 0.9600 . ? C01 H01B 0.9600 . ? C01 H01C 0.9600 . ? C2 Si1 1.866(7) . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C02 N01 1.119(9) . ? C3 Si1 1.838(8) . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C03 C04 1.415(11) . ? C03 H03A 0.9600 . ? C03 H03B 0.9600 . ? C03 H03C 0.9600 . ? C4 C5 1.193(7) . ? C4 Si1 1.831(7) . ? C04 N02 1.128(10) . ? C5 C7 1.457(8) . ? C6 N1 1.343(6) . ? C6 C7 1.381(7) . ? C6 H6A 0.9300 . ? C7 C8 1.394(7) . ? C8 C9 1.360(7) . ? C8 H8A 0.9300 . ? C9 C10 1.409(7) . ? C9 H9A 0.9300 . ? C10 N1 1.357(6) . ? C10 C11 1.454(7) . ? C11 N2 1.358(6) . ? C11 C12 1.376(7) . ? C12 C13 1.374(7) . ? C12 H12A 0.9300 . ? C13 C14 1.384(8) . ? C13 H13A 0.9300 . ? C14 C15 1.379(8) . ? C14 C16 1.431(8) . ? C15 N2 1.343(6) . ? C15 H15A 0.9300 . ? C16 C17 1.195(8) . ? C17 Si2 1.854(7) . ? C18 Si2 1.844(8) . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 Si2 1.857(8) . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 Si2 1.840(7) . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 C22 1.209(7) . ? C21 Pt1 1.938(6) . ? C22 C23 1.447(8) . ? C23 C28 1.358(8) . ? C23 C24 1.395(8) . ? C24 C25 1.381(9) . ? C24 H24A 0.9300 . ? C25 C26 1.375(10) . ? C25 H25A 0.9300 . ? C26 C27 1.375(10) . ? C26 C29 1.517(11) . ? C27 C28 1.364(9) . ? C27 H27A 0.9300 . ? C28 H28A 0.9300 . ? C29 C30 1.516(17) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 C32 1.211(7) . ? C31 Pt1 1.953(6) . ? C32 C33 1.430(8) . ? C33 C34 1.369(8) . ? C33 C38 1.389(8) . ? C34 C35 1.381(10) . ? C34 H34A 0.9300 . ? C35 C36 1.368(10) . ? C35 H35A 0.9300 . ? C36 C37 1.378(9) . ? C36 C39 1.529(9) . ? C37 C38 1.369(8) . ? C37 H37A 0.9300 . ? C38 H38A 0.9300 . ? C39 C40 1.377(12) . ? C39 H39A 0.9700 . ? C39 H39B 0.9700 . ? C40 H40A 0.9600 . ? C40 H40B 0.9600 . ? C40 H40C 0.9600 . ? C44 C45 1.210(8) . ? C44 Si3 1.831(7) . ? C45 C47 1.438(8) . ? C46 N3 1.337(7) . ? C46 C47 1.404(8) . ? C46 H46A 0.9300 . ? C47 C48 1.383(8) . ? C48 C49 1.363(8) . ? C48 H48A 0.9300 . ? C49 C50 1.370(8) . ? C49 H49A 0.9300 . ? C50 N3 1.363(7) . ? C50 C51 1.483(7) . ? C51 N4 1.355(6) . ? C51 C52 1.383(7) . ? C52 C53 1.373(7) . ? C52 H52A 0.9300 . ? C53 C54 1.390(8) . ? C53 H53A 0.9300 . ? C54 C55 1.373(7) . ? C54 C56 1.434(8) . ? C55 N4 1.353(6) . ? C55 H55A 0.9300 . ? C56 C57 1.205(8) . ? C57 Si4 1.832(7) . ? C58 Si4 1.853(8) . ? C58 H58A 0.9600 . ? C58 H58B 0.9600 . ? C58 H58C 0.9600 . ? C59 Si4 1.854(7) . ? C59 H59A 0.9600 . ? C59 H59B 0.9600 . ? C59 H59C 0.9600 . ? C60 Si4 1.856(7) . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? C61 C62 1.214(8) . ? C61 Pt2 1.941(6) . ? C62 C63 1.439(8) . ? C63 C68 1.369(8) . ? C63 C64 1.370(9) . ? C64 C65 1.377(10) . ? C64 H64A 0.9300 . ? C65 C66 1.372(11) . ? C65 H65A 0.9300 . ? C66 C67 1.359(10) . ? C66 C69 1.535(10) . ? C67 C68 1.388(9) . ? C67 H67A 0.9300 . ? C68 H68A 0.9300 . ? C71 C72 1.197(8) . ? C71 Pt2 1.950(7) . ? C72 C73 1.438(9) . ? C73 C78 1.380(9) . ? C73 C74 1.387(9) . ? C74 C75 1.392(10) . ? C74 H74A 0.9300 . ? C75 C76 1.385(11) . ? C75 H75A 0.9300 . ? C76 C77 1.375(10) . ? C76 C79 1.517(10) . ? C77 C78 1.381(9) . ? C77 H77A 0.9300 . ? C78 H78A 0.9300 . ? C79 C80 1.504(13) . ? C79 H79A 0.9700 . ? C79 H79B 0.9700 . ? C80 H80A 0.9600 . ? C80 H80B 0.9600 . ? C80 H80C 0.9600 . ? C41 Si3 1.806(8) . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 Si3 1.814(8) . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C43 Si3 1.871(9) . ? C43 H43A 0.9600 . ? C43 H43B 0.9600 . ? C43 H43C 0.9600 . ? N1 Pt1 2.052(4) . ? N2 Pt1 2.079(4) . ? N3 Pt2 2.071(5) . ? N4 Pt2 2.060(4) . ? C70 C69 1.457(14) . ? C70 H70A 0.9600 . ? C70 H70B 0.9600 . ? C70 H70C 0.9600 . ? C69 H69A 0.9700 . ? C69 H69B 0.9700 . ? 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 Si1 C1 H1A 109.5 . . ? Si1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? Si1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C02 C01 H01A 109.5 . . ? C02 C01 H01B 109.5 . . ? H01A C01 H01B 109.5 . . ? C02 C01 H01C 109.5 . . ? H01A C01 H01C 109.5 . . ? H01B C01 H01C 109.5 . . ? Si1 C2 H2A 109.5 . . ? Si1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? Si1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? N01 C02 C01 178.1(10) . . ? Si1 C3 H3A 109.5 . . ? Si1 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? Si1 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? C04 C03 H03A 109.5 . . ? C04 C03 H03B 109.5 . . ? H03A C03 H03B 109.5 . . ? C04 C03 H03C 109.5 . . ? H03A C03 H03C 109.5 . . ? H03B C03 H03C 109.5 . . ? C5 C4 Si1 176.9(6) . . ? N02 C04 C03 178.7(13) . . ? C4 C5 C7 178.1(6) . . ? N1 C6 C7 122.1(5) . . ? N1 C6 H6A 118.9 . . ? C7 C6 H6A 118.9 . . ? C6 C7 C8 119.1(5) . . ? C6 C7 C5 120.2(5) . . ? C8 C7 C5 120.8(5) . . ? C9 C8 C7 119.1(5) . . ? C9 C8 H8A 120.5 . . ? C7 C8 H8A 120.5 . . ? C8 C9 C10 120.1(5) . . ? C8 C9 H9A 120.0 . . ? C10 C9 H9A 120.0 . . ? N1 C10 C9 120.2(5) . . ? N1 C10 C11 116.6(5) . . ? C9 C10 C11 123.1(5) . . ? N2 C11 C12 120.2(5) . . ? N2 C11 C10 114.6(5) . . ? C12 C11 C10 125.2(5) . . ? C13 C12 C11 120.1(6) . . ? C13 C12 H12A 120.0 . . ? C11 C12 H12A 120.0 . . ? C12 C13 C14 119.8(6) . . ? C12 C13 H13A 120.1 . . ? C14 C13 H13A 120.1 . . ? C15 C14 C13 117.9(5) . . ? C15 C14 C16 122.2(6) . . ? C13 C14 C16 119.8(5) . . ? N2 C15 C14 122.3(5) . . ? N2 C15 H15A 118.8 . . ? C14 C15 H15A 118.8 . . ? C17 C16 C14 175.1(7) . . ? C16 C17 Si2 174.1(6) . . ? Si2 C18 H18A 109.5 . . ? Si2 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? Si2 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? Si2 C19 H19A 109.5 . . ? Si2 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? Si2 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? Si2 C20 H20A 109.5 . . ? Si2 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? Si2 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C22 C21 Pt1 171.6(5) . . ? C21 C22 C23 174.5(6) . . ? C28 C23 C24 117.1(6) . . ? C28 C23 C22 123.7(6) . . ? C24 C23 C22 119.2(5) . . ? C25 C24 C23 120.8(6) . . ? C25 C24 H24A 119.6 . . ? C23 C24 H24A 119.6 . . ? C26 C25 C24 121.3(7) . . ? C26 C25 H25A 119.4 . . ? C24 C25 H25A 119.4 . . ? C25 C26 C27 116.9(7) . . ? C25 C26 C29 121.3(8) . . ? C27 C26 C29 121.8(8) . . ? C28 C27 C26 122.0(7) . . ? C28 C27 H27A 119.0 . . ? C26 C27 H27A 119.0 . . ? C23 C28 C27 121.9(7) . . ? C23 C28 H28A 119.1 . . ? C27 C28 H28A 119.1 . . ? C30 C29 C26 110.2(11) . . ? C30 C29 H29A 109.6 . . ? C26 C29 H29A 109.6 . . ? C30 C29 H29B 109.6 . . ? C26 C29 H29B 109.6 . . ? H29A C29 H29B 108.1 . . ? C29 C30 H30A 109.5 . . ? C29 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C29 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C32 C31 Pt1 177.8(5) . . ? C31 C32 C33 178.2(7) . . ? C34 C33 C38 117.1(6) . . ? C34 C33 C32 121.1(6) . . ? C38 C33 C32 121.8(5) . . ? C33 C34 C35 121.0(7) . . ? C33 C34 H34A 119.5 . . ? C35 C34 H34A 119.5 . . ? C36 C35 C34 122.5(7) . . ? C36 C35 H35A 118.8 . . ? C34 C35 H35A 118.8 . . ? C35 C36 C37 116.1(6) . . ? C35 C36 C39 121.4(7) . . ? C37 C36 C39 122.5(7) . . ? C38 C37 C36 122.4(6) . . ? C38 C37 H37A 118.8 . . ? C36 C37 H37A 118.8 . . ? C37 C38 C33 120.9(6) . . ? C37 C38 H38A 119.5 . . ? C33 C38 H38A 119.5 . . ? C40 C39 C36 113.4(8) . . ? C40 C39 H39A 108.9 . . ? C36 C39 H39A 108.9 . . ? C40 C39 H39B 108.9 . . ? C36 C39 H39B 108.9 . . ? H39A C39 H39B 107.7 . . ? C39 C40 H40A 109.5 . . ? C39 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C39 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C45 C44 Si3 173.9(7) . . ? C44 C45 C47 172.1(7) . . ? N3 C46 C47 122.3(5) . . ? N3 C46 H46A 118.8 . . ? C47 C46 H46A 118.8 . . ? C48 C47 C46 117.8(6) . . ? C48 C47 C45 119.8(6) . . ? C46 C47 C45 122.4(6) . . ? C49 C48 C47 120.2(6) . . ? C49 C48 H48A 119.9 . . ? C47 C48 H48A 119.9 . . ? C48 C49 C50 119.4(6) . . ? C48 C49 H49A 120.3 . . ? C50 C49 H49A 120.3 . . ? N3 C50 C49 122.2(5) . . ? N3 C50 C51 114.3(5) . . ? C49 C50 C51 123.4(5) . . ? N4 C51 C52 121.7(5) . . ? N4 C51 C50 115.1(5) . . ? C52 C51 C50 123.3(5) . . ? C53 C52 C51 119.4(6) . . ? C53 C52 H52A 120.3 . . ? C51 C52 H52A 120.3 . . ? C52 C53 C54 119.5(5) . . ? C52 C53 H53A 120.2 . . ? C54 C53 H53A 120.2 . . ? C55 C54 C53 118.5(5) . . ? C55 C54 C56 119.8(6) . . ? C53 C54 C56 121.7(5) . . ? N4 C55 C54 122.7(5) . . ? N4 C55 H55A 118.7 . . ? C54 C55 H55A 118.7 . . ? C57 C56 C54 177.5(6) . . ? C56 C57 Si4 175.6(6) . . ? Si4 C58 H58A 109.5 . . ? Si4 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? Si4 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? Si4 C59 H59A 109.5 . . ? Si4 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? Si4 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? Si4 C60 H60A 109.5 . . ? Si4 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? Si4 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C62 C61 Pt2 176.0(6) . . ? C61 C62 C63 178.0(6) . . ? C68 C63 C64 116.7(6) . . ? C68 C63 C62 121.7(6) . . ? C64 C63 C62 121.6(6) . . ? C63 C64 C65 121.4(7) . . ? C63 C64 H64A 119.3 . . ? C65 C64 H64A 119.3 . . ? C66 C65 C64 122.6(8) . . ? C66 C65 H65A 118.7 . . ? C64 C65 H65A 118.7 . . ? C67 C66 C65 115.5(7) . . ? C67 C66 C69 119.1(8) . . ? C65 C66 C69 125.3(8) . . ? C66 C67 C68 122.8(7) . . ? C66 C67 H67A 118.6 . . ? C68 C67 H67A 118.6 . . ? C63 C68 C67 121.0(7) . . ? C63 C68 H68A 119.5 . . ? C67 C68 H68A 119.5 . . ? C72 C71 Pt2 173.3(5) . . ? C71 C72 C73 174.7(7) . . ? C78 C73 C74 117.2(7) . . ? C78 C73 C72 121.4(6) . . ? C74 C73 C72 121.2(7) . . ? C73 C74 C75 119.8(8) . . ? C73 C74 H74A 120.1 . . ? C75 C74 H74A 120.1 . . ? C76 C75 C74 123.0(8) . . ? C76 C75 H75A 118.5 . . ? C74 C75 H75A 118.5 . . ? C77 C76 C75 116.3(7) . . ? C77 C76 C79 121.6(9) . . ? C75 C76 C79 121.9(9) . . ? C76 C77 C78 121.4(8) . . ? C76 C77 H77A 119.3 . . ? C78 C77 H77A 119.3 . . ? C73 C78 C77 122.3(7) . . ? C73 C78 H78A 118.9 . . ? C77 C78 H78A 118.9 . . ? C80 C79 C76 110.3(8) . . ? C80 C79 H79A 109.6 . . ? C76 C79 H79A 109.6 . . ? C80 C79 H79B 109.6 . . ? C76 C79 H79B 109.6 . . ? H79A C79 H79B 108.1 . . ? C79 C80 H80A 109.5 . . ? C79 C80 H80B 109.5 . . ? H80A C80 H80B 109.5 . . ? C79 C80 H80C 109.5 . . ? H80A C80 H80C 109.5 . . ? H80B C80 H80C 109.5 . . ? Si3 C41 H41A 109.5 . . ? Si3 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? Si3 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? Si3 C42 H42A 109.5 . . ? Si3 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? Si3 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? Si3 C43 H43A 109.5 . . ? Si3 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? Si3 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C6 N1 C10 119.4(4) . . ? C6 N1 Pt1 125.9(4) . . ? C10 N1 Pt1 114.8(3) . . ? C15 N2 C11 119.6(5) . . ? C15 N2 Pt1 125.5(4) . . ? C11 N2 Pt1 114.9(3) . . ? C46 N3 C50 118.1(5) . . ? C46 N3 Pt2 126.1(4) . . ? C50 N3 Pt2 115.8(4) . . ? C55 N4 C51 118.3(4) . . ? C55 N4 Pt2 125.6(4) . . ? C51 N4 Pt2 116.1(3) . . ? C21 Pt1 C31 90.1(2) . . ? C21 Pt1 N1 93.69(19) . . ? C31 Pt1 N1 176.2(2) . . ? C21 Pt1 N2 172.65(19) . . ? C31 Pt1 N2 97.2(2) . . ? N1 Pt1 N2 79.02(17) . . ? C61 Pt2 C71 90.8(2) . . ? C61 Pt2 N4 175.1(2) . . ? C71 Pt2 N4 93.8(2) . . ? C61 Pt2 N3 96.7(2) . . ? C71 Pt2 N3 172.2(2) . . ? N4 Pt2 N3 78.68(18) . . ? C4 Si1 C3 107.9(3) . . ? C4 Si1 C1 107.4(3) . . ? C3 Si1 C1 112.4(5) . . ? C4 Si1 C2 108.4(3) . . ? C3 Si1 C2 110.6(4) . . ? C1 Si1 C2 110.0(4) . . ? C20 Si2 C18 111.0(4) . . ? C20 Si2 C17 106.9(3) . . ? C18 Si2 C17 109.5(4) . . ? C20 Si2 C19 111.1(4) . . ? C18 Si2 C19 111.1(4) . . ? C17 Si2 C19 107.1(3) . . ? C41 Si3 C42 111.2(6) . . ? C41 Si3 C44 112.7(4) . . ? C42 Si3 C44 110.8(5) . . ? C41 Si3 C43 107.3(7) . . ? C42 Si3 C43 106.9(7) . . ? C44 Si3 C43 107.7(6) . . ? C57 Si4 C58 108.5(3) . . ? C57 Si4 C59 108.1(3) . . ? C58 Si4 C59 111.8(3) . . ? C57 Si4 C60 106.7(3) . . ? C58 Si4 C60 110.4(4) . . ? C59 Si4 C60 111.1(4) . . ? C69 C70 H70A 109.5 . . ? C69 C70 H70B 109.5 . . ? H70A C70 H70B 109.5 . . ? C69 C70 H70C 109.5 . . ? H70A C70 H70C 109.5 . . ? H70B C70 H70C 109.5 . . ? C70 C69 C66 111.6(9) . . ? C70 C69 H69A 109.3 . . ? C66 C69 H69A 109.3 . . ? C70 C69 H69B 109.3 . . ? C66 C69 H69B 109.3 . . ? H69A C69 H69B 108.0 . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.987 _refine_diff_density_min -0.794 _refine_diff_density_rms 0.093 _database_code_depnum_ccdc_archive 'CCDC 929764'