Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2001 data_global _journal_coden_Cambridge 186 _publ_requested_journal 'Dalton Transactions' loop_ _publ_author_name 'Aucott, Stephen M.' 'Clarke, Matthew L.' 'Slawin, A.' 'Woollins, J.' _publ_contact_author_name 'Prof J Woollins' _publ_contact_author_address ; Prof J Woollins Department of Chemistry University of St Andrews St Andrews Fife KY16 9ST UNITED KINGDOM ; _publ_contact_author_email 'j.d.woollins@st-andrews.ac.uk' data_10 _database_code_CSD 154169 _audit_creation_method SHELXL _chemical_name_systematic ; 10 ; _chemical_name_common - _chemical_formula_moiety 'C38 H40 N4 P2 Pt Si' _chemical_formula_structural 'C38 H40 N4 P2 Pt Si' _chemical_formula_analytical 'C38 H40 N4 P2 Pt Si' _chemical_formula_sum 'C38 H40 N4 P2 Pt Si' _chemical_formula_weight 837.86 _chemical_melting_point - _chemical_compound_source - 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' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pt' 'Pt' -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 12.5811(2) _cell_length_b 18.3389(3) _cell_length_c 15.4399(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.8350(10) _cell_angle_gamma 90.00 _cell_volume 3561.97(11) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 192 _cell_measurement_theta_min 12 _cell_measurement_theta_max 168 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max .14 _exptl_crystal_size_mid .1 _exptl_crystal_size_min .03 _exptl_crystal_density_meas - _exptl_crystal_density_diffrn 1.562 _exptl_crystal_density_method - _exptl_crystal_F_000 1672 _exptl_absorpt_coefficient_mu 4.096 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.466137 _exptl_absorpt_correction_T_max 0.693218 _exptl_special_details ; - ; _diffrn_ambient_temperature 293(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 CCD _diffrn_measurement_method 'phi and omega scans' _diffrn_standards_number - _diffrn_standards_interval_count - _diffrn_standards_interval_time - _diffrn_standards_decay_% - _diffrn_reflns_number 15304 _diffrn_reflns_av_R_equivalents 0.0413 _diffrn_reflns_av_sigmaI/netI 0.0452 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.96 _diffrn_reflns_theta_max 23.21 _reflns_number_total 5072 _reflns_number_observed 3940 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 39 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0270P)^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 riding _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00000(6) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 5033 _refine_ls_number_parameters 416 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0429 _refine_ls_R_factor_obs 0.0259 _refine_ls_wR_factor_all 0.0597 _refine_ls_wR_factor_obs 0.0517 _refine_ls_goodness_of_fit_all 0.931 _refine_ls_goodness_of_fit_obs 0.974 _refine_ls_restrained_S_all 0.985 _refine_ls_restrained_S_obs 0.974 _refine_ls_shift/esd_max -0.896 _refine_ls_shift/esd_mean 0.002 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Pt1 Pt 0.871910(14) 0.209233(9) 0.529712(12) 0.03556(8) Uani 1 d . . C39 C 0.9608(4) 0.2971(3) 0.4819(4) 0.0617(15) Uani 1 d . . H39A H 0.9135(4) 0.3355(3) 0.4641(4) 0.093 Uiso 1 calc R . H39B H 1.0013(4) 0.2811(3) 0.4332(4) 0.093 Uiso 1 calc R . H39C H 1.0081(4) 0.3147(3) 0.5265(4) 0.093 Uiso 1 calc R . C40 C 1.0211(4) 0.1613(3) 0.5485(3) 0.0541(14) Uani 1 d . . H40A H 1.0127(4) 0.1136(3) 0.5730(3) 0.081 Uiso 1 calc R . H40B H 1.0631(4) 0.1909(3) 0.5872(3) 0.081 Uiso 1 calc R . H40C H 1.0562(4) 0.1574(3) 0.4939(3) 0.081 Uiso 1 calc R . P1 P 0.71638(10) 0.26100(6) 0.48015(8) 0.0353(3) Uani 1 d . . C1 C 0.6845(4) 0.2261(2) 0.3711(3) 0.0398(12) Uani 1 d . . C2 C 0.7517(4) 0.1755(3) 0.3355(3) 0.0494(13) Uani 1 d . . H2A H 0.8102(4) 0.1591(3) 0.3675(3) 0.059 Uiso 1 calc R . C3 C 0.7338(5) 0.1485(3) 0.2521(3) 0.065(2) Uani 1 d . . H3A H 0.7804(5) 0.1148(3) 0.2284(3) 0.078 Uiso 1 calc R . C4 C 0.6474(5) 0.1718(3) 0.2055(4) 0.066(2) Uani 1 d . . H4A H 0.6350(5) 0.1537(3) 0.1500(4) 0.080 Uiso 1 calc R . C5 C 0.5783(5) 0.2217(3) 0.2400(4) 0.067(2) Uani 1 d . . H5A H 0.5188(5) 0.2366(3) 0.2083(4) 0.081 Uiso 1 calc R . C6 C 0.5973(4) 0.2498(3) 0.3214(4) 0.0564(15) Uani 1 d . . H6A H 0.5518(4) 0.2848(3) 0.3436(4) 0.068 Uiso 1 calc R . C7 C 0.7133(4) 0.3606(2) 0.4620(3) 0.0374(11) Uani 1 d . . C8 C 0.7568(4) 0.3906(3) 0.3885(3) 0.0545(14) Uani 1 d . . H8A H 0.7805(4) 0.3602(3) 0.3446(3) 0.065 Uiso 1 calc R . C9 C 0.7653(5) 0.4655(3) 0.3795(3) 0.062(2) Uani 1 d . . H9A H 0.7959(5) 0.4850(3) 0.3301(3) 0.075 Uiso 1 calc R . C10 C 0.7291(5) 0.5108(3) 0.4426(4) 0.065(2) Uani 1 d . . H10A H 0.7337(5) 0.5611(3) 0.4360(4) 0.078 Uiso 1 calc R . C11 C 0.6856(5) 0.4814(3) 0.5162(4) 0.069(2) Uani 1 d . . H11A H 0.6611(5) 0.5121(3) 0.5596(4) 0.082 Uiso 1 calc R . C12 C 0.6783(4) 0.4067(3) 0.5259(3) 0.0535(14) Uani 1 d . . H12A H 0.6495(4) 0.3873(3) 0.5760(3) 0.064 Uiso 1 calc R . N1 N 0.6099(3) 0.2438(2) 0.5445(2) 0.0377(9) Uani 1 d . . C13 C 0.5026(4) 0.2459(3) 0.5117(3) 0.0404(12) Uani 1 d . . N14 N 0.4525(4) 0.1806(2) 0.5048(3) 0.0720(15) Uani 1 d . . C15 C 0.3504(5) 0.1806(4) 0.4759(4) 0.081(2) Uani 1 d . . H15A H 0.3149(5) 0.1362(4) 0.4714(4) 0.097 Uiso 1 calc R . C16 C 0.2970(5) 0.2429(4) 0.4529(4) 0.070(2) Uani 1 d . . H16A H 0.2268(5) 0.2417(4) 0.4334(4) 0.083 Uiso 1 calc R . C17 C 0.3524(5) 0.3072(3) 0.4601(4) 0.071(2) Uani 1 d . . H17A H 0.3196(5) 0.3506(3) 0.4436(4) 0.085 Uiso 1 calc R . C18 C 0.4537(4) 0.3085(2) 0.4908(3) 0.0493(14) Uani 1 d . . H18A H 0.4892(4) 0.3527(2) 0.4973(3) 0.059 Uiso 1 calc R . P2 P 0.79292(10) 0.10803(6) 0.58701(8) 0.0352(3) Uani 1 d . . C19 C 0.8742(4) 0.0512(2) 0.6606(3) 0.0388(12) Uani 1 d . . C20 C 0.9160(4) 0.0847(3) 0.7343(3) 0.0477(13) Uani 1 d . . H20A H 0.9041(4) 0.1342(3) 0.7435(3) 0.057 Uiso 1 calc R . C21 C 0.9751(4) 0.0452(3) 0.7941(3) 0.0576(15) Uani 1 d . . H21A H 1.0019(4) 0.0682(3) 0.8435(3) 0.069 Uiso 1 calc R . C22 C 0.9946(4) -0.0277(3) 0.7814(4) 0.060(2) Uani 1 d . . H22A H 1.0339(4) -0.0541(3) 0.8222(4) 0.072 Uiso 1 calc R . C23 C 0.9555(4) -0.0614(3) 0.7079(4) 0.060(2) Uani 1 d . . H23A H 0.9694(4) -0.1106(3) 0.6985(4) 0.072 Uiso 1 calc R . C24 C 0.8953(4) -0.0222(3) 0.6474(3) 0.0484(13) Uani 1 d . . H24A H 0.8690(4) -0.0453(3) 0.5979(3) 0.058 Uiso 1 calc R . C25 C 0.7492(4) 0.0470(2) 0.5001(3) 0.0372(11) Uani 1 d . . C26 C 0.8230(4) 0.0147(3) 0.4467(3) 0.0478(13) Uani 1 d . . H26A H 0.8952(4) 0.0210(3) 0.4584(3) 0.057 Uiso 1 calc R . C27 C 0.7911(5) -0.0266(3) 0.3764(3) 0.0556(15) Uani 1 d . . H27A H 0.8415(5) -0.0485(3) 0.3414(3) 0.067 Uiso 1 calc R . C28 C 0.6861(6) -0.0351(3) 0.3584(3) 0.064(2) Uani 1 d . . H28A H 0.6645(6) -0.0643(3) 0.3121(3) 0.077 Uiso 1 calc R . C29 C 0.6123(5) -0.0013(4) 0.4077(4) 0.072(2) Uani 1 d . . H29A H 0.5406(5) -0.0055(4) 0.3931(4) 0.087 Uiso 1 calc R . C30 C 0.6429(4) 0.0393(3) 0.4794(3) 0.0530(14) Uani 1 d . . H30A H 0.5917(4) 0.0613(3) 0.5135(3) 0.064 Uiso 1 calc R . N2 N 0.6847(3) 0.1249(2) 0.6501(2) 0.0375(9) Uani 1 d . . C31 C 0.6519(4) 0.0749(3) 0.7148(3) 0.0407(12) Uani 1 d . . N32 N 0.6338(4) 0.1042(2) 0.7934(3) 0.0608(13) Uani 1 d . . C33 C 0.5995(6) 0.0595(4) 0.8554(4) 0.081(2) Uani 1 d . . H33A H 0.5840(6) 0.0796(4) 0.9091(4) 0.097 Uiso 1 calc R . C34 C 0.5860(5) -0.0129(4) 0.8447(5) 0.086(2) Uani 1 d . . H34A H 0.5628(5) -0.0418(4) 0.8901(5) 0.103 Uiso 1 calc R . C35 C 0.6076(5) -0.0433(3) 0.7647(5) 0.071(2) Uani 1 d . . H35A H 0.5993(5) -0.0931(3) 0.7556(5) 0.085 Uiso 1 calc R . C36 C 0.6417(4) 0.0016(3) 0.6986(3) 0.0474(13) Uani 1 d . . H36A H 0.6573(4) -0.0174(3) 0.6444(3) 0.057 Uiso 1 calc R . Si1 Si 0.63227(11) 0.21523(7) 0.65299(8) 0.0386(3) Uani 1 d . . C37 C 0.7268(4) 0.2777(2) 0.7100(3) 0.0527(14) Uani 1 d . . H37A H 0.7378(4) 0.2613(2) 0.7685(3) 0.079 Uiso 1 calc R . H37B H 0.6980(4) 0.3262(2) 0.7104(3) 0.079 Uiso 1 calc R . H37C H 0.7934(4) 0.2779(2) 0.6804(3) 0.079 Uiso 1 calc R . C38 C 0.4994(4) 0.2190(3) 0.7050(3) 0.0568(15) Uani 1 d . . H38A H 0.5061(4) 0.2040(3) 0.7644(3) 0.085 Uiso 1 calc R . H38B H 0.4511(4) 0.1870(3) 0.6749(3) 0.085 Uiso 1 calc R . H38C H 0.4725(4) 0.2680(3) 0.7024(3) 0.085 Uiso 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 0.03179(11) 0.03668(12) 0.03827(12) 0.00060(10) 0.00234(7) -0.00161(9) C39 0.052(3) 0.061(4) 0.073(4) 0.015(3) 0.011(3) -0.009(3) C40 0.032(3) 0.059(3) 0.071(4) 0.004(3) 0.002(3) 0.000(2) P1 0.0383(7) 0.0323(6) 0.0354(7) 0.0026(5) 0.0039(6) 0.0013(6) C1 0.045(3) 0.036(3) 0.039(3) 0.001(2) 0.000(2) 0.001(2) C2 0.056(4) 0.050(3) 0.042(3) 0.000(3) -0.003(3) 0.012(3) C3 0.078(4) 0.066(4) 0.050(3) -0.017(3) -0.002(3) 0.021(3) C4 0.083(5) 0.070(4) 0.045(3) -0.017(3) -0.008(3) 0.006(4) C5 0.061(4) 0.089(5) 0.052(4) 0.000(3) -0.020(3) 0.010(3) C6 0.052(4) 0.063(4) 0.054(4) -0.007(3) -0.002(3) 0.019(3) C7 0.040(3) 0.034(3) 0.038(3) 0.003(2) -0.002(2) 0.000(2) C8 0.076(4) 0.046(3) 0.042(3) 0.004(3) 0.013(3) 0.000(3) C9 0.093(5) 0.050(3) 0.045(3) 0.015(3) 0.011(3) -0.008(3) C10 0.102(5) 0.037(3) 0.057(4) 0.008(3) 0.004(4) -0.009(3) C11 0.106(5) 0.041(3) 0.059(4) -0.005(3) 0.021(4) 0.000(3) C12 0.074(4) 0.039(3) 0.048(3) -0.004(3) 0.015(3) -0.002(3) N1 0.036(2) 0.034(2) 0.042(2) 0.007(2) 0.002(2) 0.005(2) C13 0.037(3) 0.044(3) 0.041(3) 0.003(2) 0.005(2) 0.004(2) N14 0.054(3) 0.058(3) 0.104(4) 0.005(3) -0.007(3) -0.006(3) C15 0.063(5) 0.079(5) 0.101(5) 0.012(4) -0.003(4) -0.031(4) C16 0.038(4) 0.113(5) 0.058(4) 0.004(4) -0.003(3) 0.003(4) C17 0.064(4) 0.066(4) 0.083(5) 0.009(3) -0.001(4) 0.026(3) C18 0.040(3) 0.030(3) 0.078(4) 0.010(2) -0.005(3) 0.004(2) P2 0.0317(7) 0.0347(7) 0.0393(7) 0.0015(6) 0.0026(6) 0.0026(5) C19 0.029(3) 0.039(3) 0.049(3) 0.002(2) 0.005(2) 0.003(2) C20 0.048(3) 0.048(3) 0.047(3) 0.003(3) -0.003(3) 0.000(3) C21 0.049(4) 0.077(4) 0.047(3) 0.005(3) -0.007(3) -0.001(3) C22 0.051(4) 0.075(4) 0.055(4) 0.020(3) -0.006(3) 0.010(3) C23 0.050(4) 0.048(3) 0.083(4) 0.013(3) -0.002(3) 0.010(3) C24 0.044(3) 0.052(3) 0.050(3) 0.004(3) -0.004(3) 0.005(3) C25 0.038(3) 0.032(3) 0.042(3) 0.007(2) 0.000(2) -0.001(2) C26 0.042(3) 0.049(3) 0.053(3) -0.002(3) 0.000(3) 0.010(3) C27 0.073(5) 0.047(3) 0.046(3) -0.006(3) 0.008(3) 0.006(3) C28 0.096(5) 0.060(4) 0.037(3) -0.007(3) -0.005(4) -0.028(4) C29 0.049(4) 0.115(5) 0.053(4) -0.002(4) 0.000(3) -0.026(4) C30 0.036(3) 0.077(4) 0.046(3) -0.006(3) 0.008(3) -0.006(3) N2 0.039(2) 0.037(2) 0.036(2) 0.002(2) 0.004(2) 0.003(2) C31 0.036(3) 0.042(3) 0.045(3) 0.008(2) 0.005(2) 0.011(2) N32 0.073(3) 0.060(3) 0.049(3) 0.007(2) 0.013(3) 0.016(3) C33 0.107(6) 0.088(5) 0.050(4) 0.022(4) 0.031(4) 0.028(4) C34 0.077(5) 0.096(6) 0.085(5) 0.055(5) 0.019(4) 0.010(4) C35 0.060(4) 0.048(4) 0.104(5) 0.020(4) 0.010(4) 0.001(3) C36 0.045(3) 0.042(3) 0.056(3) 0.007(3) 0.003(3) -0.002(2) Si1 0.0411(8) 0.0356(7) 0.0392(7) 0.0008(6) 0.0054(6) 0.0056(6) C37 0.056(3) 0.052(3) 0.050(3) -0.004(3) 0.000(3) 0.003(3) C38 0.055(4) 0.060(4) 0.056(3) 0.010(3) 0.012(3) 0.017(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C40 2.089(5) . ? Pt1 C39 2.101(5) . ? Pt1 P2 2.2892(12) . ? Pt1 P1 2.2961(12) . ? P1 N1 1.709(4) . ? P1 C1 1.840(5) . ? P1 C7 1.848(4) . ? C1 C2 1.376(7) . ? C1 C6 1.398(7) . ? C2 C3 1.395(7) . ? C3 C4 1.363(7) . ? C4 C5 1.374(8) . ? C5 C6 1.376(7) . ? C7 C12 1.377(6) . ? C7 C8 1.380(6) . ? C8 C9 1.386(7) . ? C9 C10 1.363(7) . ? C10 C11 1.379(8) . ? C11 C12 1.383(7) . ? N1 C13 1.435(6) . ? N1 Si1 1.773(4) . ? C13 C18 1.340(6) . ? C13 N14 1.357(6) . ? N14 C15 1.353(8) . ? C15 C16 1.371(8) . ? C16 C17 1.372(8) . ? C17 C18 1.354(8) . ? P2 N2 1.713(4) . ? P2 C25 1.826(5) . ? P2 C19 1.841(5) . ? C19 C24 1.387(6) . ? C19 C20 1.391(6) . ? C20 C21 1.382(6) . ? C21 C22 1.375(7) . ? C22 C23 1.377(7) . ? C23 C24 1.394(7) . ? C25 C30 1.378(6) . ? C25 C26 1.384(7) . ? C26 C27 1.379(7) . ? C27 C28 1.355(8) . ? C28 C29 1.359(8) . ? C29 C30 1.384(7) . ? N2 C31 1.422(6) . ? N2 Si1 1.785(4) . ? C31 N32 1.350(6) . ? C31 C36 1.372(6) . ? N32 C33 1.336(7) . ? C33 C34 1.349(9) . ? C34 C35 1.385(9) . ? C35 C36 1.384(7) . ? Si1 C37 1.863(5) . ? Si1 C38 1.867(5) . ? 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 C40 Pt1 C39 83.7(2) . . ? C40 Pt1 P2 89.98(15) . . ? C39 Pt1 P2 173.6(2) . . ? C40 Pt1 P1 168.5(2) . . ? C39 Pt1 P1 91.2(2) . . ? P2 Pt1 P1 95.24(4) . . ? N1 P1 C1 107.8(2) . . ? N1 P1 C7 104.9(2) . . ? C1 P1 C7 101.6(2) . . ? N1 P1 Pt1 113.66(13) . . ? C1 P1 Pt1 109.5(2) . . ? C7 P1 Pt1 118.4(2) . . ? C2 C1 C6 118.1(4) . . ? C2 C1 P1 118.2(4) . . ? C6 C1 P1 123.6(4) . . ? C1 C2 C3 121.1(5) . . ? C4 C3 C2 119.5(5) . . ? C3 C4 C5 120.6(5) . . ? C4 C5 C6 120.0(5) . . ? C5 C6 C1 120.7(5) . . ? C12 C7 C8 118.6(4) . . ? C12 C7 P1 120.3(4) . . ? C8 C7 P1 120.8(4) . . ? C7 C8 C9 120.7(5) . . ? C10 C9 C8 120.3(5) . . ? C9 C10 C11 119.5(5) . . ? C10 C11 C12 120.3(5) . . ? C7 C12 C11 120.6(5) . . ? C13 N1 P1 122.0(3) . . ? C13 N1 Si1 118.5(3) . . ? P1 N1 Si1 119.3(2) . . ? C18 C13 N14 121.7(5) . . ? C18 C13 N1 122.3(5) . . ? N14 C13 N1 115.9(4) . . ? C15 N14 C13 117.6(5) . . ? N14 C15 C16 123.0(6) . . ? C15 C16 C17 116.7(5) . . ? C18 C17 C16 121.2(5) . . ? C13 C18 C17 119.7(5) . . ? N2 P2 C25 107.1(2) . . ? N2 P2 C19 101.0(2) . . ? C25 P2 C19 105.4(2) . . ? N2 P2 Pt1 115.25(13) . . ? C25 P2 Pt1 109.95(15) . . ? C19 P2 Pt1 117.2(2) . . ? C24 C19 C20 118.6(4) . . ? C24 C19 P2 124.4(4) . . ? C20 C19 P2 117.0(3) . . ? C21 C20 C19 120.5(5) . . ? C22 C21 C20 120.7(5) . . ? C21 C22 C23 119.5(5) . . ? C22 C23 C24 120.3(5) . . ? C19 C24 C23 120.4(5) . . ? C30 C25 C26 118.4(5) . . ? C30 C25 P2 121.0(4) . . ? C26 C25 P2 120.1(4) . . ? C27 C26 C25 120.9(5) . . ? C28 C27 C26 119.8(5) . . ? C27 C28 C29 120.4(5) . . ? C28 C29 C30 120.6(6) . . ? C25 C30 C29 119.9(5) . . ? C31 N2 P2 121.7(3) . . ? C31 N2 Si1 118.0(3) . . ? P2 N2 Si1 118.6(2) . . ? N32 C31 C36 122.5(5) . . ? N32 C31 N2 115.5(4) . . ? C36 C31 N2 122.0(4) . . ? C33 N32 C31 117.4(5) . . ? N32 C33 C34 123.9(6) . . ? C33 C34 C35 118.6(6) . . ? C36 C35 C34 119.0(6) . . ? C31 C36 C35 118.5(5) . . ? N1 Si1 N2 107.7(2) . . ? N1 Si1 C37 110.8(2) . . ? N2 Si1 C37 110.4(2) . . ? N1 Si1 C38 105.3(2) . . ? N2 Si1 C38 112.3(2) . . ? C37 Si1 C38 110.1(2) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C40 Pt1 P1 N1 150.2(7) . . . . ? C39 Pt1 P1 N1 -146.5(2) . . . . ? P2 Pt1 P1 N1 33.61(15) . . . . ? C40 Pt1 P1 C1 29.6(7) . . . . ? C39 Pt1 P1 C1 92.9(2) . . . . ? P2 Pt1 P1 C1 -87.0(2) . . . . ? C40 Pt1 P1 C7 -86.1(7) . . . . ? C39 Pt1 P1 C7 -22.8(2) . . . . ? P2 Pt1 P1 C7 157.3(2) . . . . ? N1 P1 C1 C2 -122.9(4) . . . . ? C7 P1 C1 C2 127.2(4) . . . . ? Pt1 P1 C1 C2 1.2(4) . . . . ? N1 P1 C1 C6 59.1(5) . . . . ? C7 P1 C1 C6 -50.8(5) . . . . ? Pt1 P1 C1 C6 -176.8(4) . . . . ? C6 C1 C2 C3 0.0(8) . . . . ? P1 C1 C2 C3 -178.1(4) . . . . ? C1 C2 C3 C4 -0.9(9) . . . . ? C2 C3 C4 C5 0.2(10) . . . . ? C3 C4 C5 C6 1.3(10) . . . . ? C4 C5 C6 C1 -2.2(9) . . . . ? C2 C1 C6 C5 1.6(8) . . . . ? P1 C1 C6 C5 179.6(4) . . . . ? N1 P1 C7 C12 33.8(5) . . . . ? C1 P1 C7 C12 145.9(4) . . . . ? Pt1 P1 C7 C12 -94.2(4) . . . . ? N1 P1 C7 C8 -153.5(4) . . . . ? C1 P1 C7 C8 -41.4(5) . . . . ? Pt1 P1 C7 C8 78.6(4) . . . . ? C12 C7 C8 C9 0.2(8) . . . . ? P1 C7 C8 C9 -172.6(4) . . . . ? C7 C8 C9 C10 -1.2(9) . . . . ? C8 C9 C10 C11 1.2(10) . . . . ? C9 C10 C11 C12 -0.3(10) . . . . ? C8 C7 C12 C11 0.6(8) . . . . ? P1 C7 C12 C11 173.6(4) . . . . ? C10 C11 C12 C7 -0.6(9) . . . . ? C1 P1 N1 C13 -34.2(4) . . . . ? C7 P1 N1 C13 73.4(4) . . . . ? Pt1 P1 N1 C13 -155.8(3) . . . . ? C1 P1 N1 Si1 140.6(2) . . . . ? C7 P1 N1 Si1 -111.8(2) . . . . ? Pt1 P1 N1 Si1 19.0(3) . . . . ? P1 N1 C13 C18 -72.1(6) . . . . ? Si1 N1 C13 C18 113.1(5) . . . . ? P1 N1 C13 N14 109.4(5) . . . . ? Si1 N1 C13 N14 -65.4(5) . . . . ? C18 C13 N14 C15 0.1(8) . . . . ? N1 C13 N14 C15 178.6(5) . . . . ? C13 N14 C15 C16 0.5(10) . . . . ? N14 C15 C16 C17 0.3(10) . . . . ? C15 C16 C17 C18 -1.8(10) . . . . ? N14 C13 C18 C17 -1.5(8) . . . . ? N1 C13 C18 C17 -180.0(5) . . . . ? C16 C17 C18 C13 2.4(9) . . . . ? C40 Pt1 P2 N2 142.4(2) . . . . ? C39 Pt1 P2 N2 132.8(14) . . . . ? P1 Pt1 P2 N2 -47.84(14) . . . . ? C40 Pt1 P2 C25 -96.4(2) . . . . ? C39 Pt1 P2 C25 -106.0(15) . . . . ? P1 Pt1 P2 C25 73.3(2) . . . . ? C40 Pt1 P2 C19 23.8(2) . . . . ? C39 Pt1 P2 C19 14.2(15) . . . . ? P1 Pt1 P2 C19 -166.5(2) . . . . ? N2 P2 C19 C24 112.2(4) . . . . ? C25 P2 C19 C24 0.8(5) . . . . ? Pt1 P2 C19 C24 -121.8(4) . . . . ? N2 P2 C19 C20 -67.3(4) . . . . ? C25 P2 C19 C20 -178.6(4) . . . . ? Pt1 P2 C19 C20 58.7(4) . . . . ? C24 C19 C20 C21 -1.5(7) . . . . ? P2 C19 C20 C21 178.0(4) . . . . ? C19 C20 C21 C22 0.7(8) . . . . ? C20 C21 C22 C23 0.6(9) . . . . ? C21 C22 C23 C24 -1.0(9) . . . . ? C20 C19 C24 C23 1.1(8) . . . . ? P2 C19 C24 C23 -178.3(4) . . . . ? C22 C23 C24 C19 0.1(8) . . . . ? N2 P2 C25 C30 18.4(4) . . . . ? C19 P2 C25 C30 125.3(4) . . . . ? Pt1 P2 C25 C30 -107.6(4) . . . . ? N2 P2 C25 C26 -169.9(4) . . . . ? C19 P2 C25 C26 -63.0(4) . . . . ? Pt1 P2 C25 C26 64.2(4) . . . . ? C30 C25 C26 C27 -2.6(7) . . . . ? P2 C25 C26 C27 -174.5(4) . . . . ? C25 C26 C27 C28 0.9(8) . . . . ? C26 C27 C28 C29 2.1(9) . . . . ? C27 C28 C29 C30 -3.3(9) . . . . ? C26 C25 C30 C29 1.4(8) . . . . ? P2 C25 C30 C29 173.3(4) . . . . ? C28 C29 C30 C25 1.5(9) . . . . ? C25 P2 N2 C31 81.5(4) . . . . ? C19 P2 N2 C31 -28.5(4) . . . . ? Pt1 P2 N2 C31 -155.9(3) . . . . ? C25 P2 N2 Si1 -113.9(2) . . . . ? C19 P2 N2 Si1 136.1(2) . . . . ? Pt1 P2 N2 Si1 8.8(3) . . . . ? P2 N2 C31 N32 130.9(4) . . . . ? Si1 N2 C31 N32 -33.9(5) . . . . ? P2 N2 C31 C36 -47.8(6) . . . . ? Si1 N2 C31 C36 147.5(4) . . . . ? C36 C31 N32 C33 -3.5(8) . . . . ? N2 C31 N32 C33 177.9(5) . . . . ? C31 N32 C33 C34 2.6(10) . . . . ? N32 C33 C34 C35 -0.8(11) . . . . ? C33 C34 C35 C36 -0.3(10) . . . . ? N32 C31 C36 C35 2.5(8) . . . . ? N2 C31 C36 C35 -179.0(5) . . . . ? C34 C35 C36 C31 -0.6(8) . . . . ? C13 N1 Si1 N2 105.0(3) . . . . ? P1 N1 Si1 N2 -69.9(3) . . . . ? C13 N1 Si1 C37 -134.0(4) . . . . ? P1 N1 Si1 C37 51.0(3) . . . . ? C13 N1 Si1 C38 -15.0(4) . . . . ? P1 N1 Si1 C38 170.0(2) . . . . ? C31 N2 Si1 N1 -142.6(3) . . . . ? P2 N2 Si1 N1 52.2(3) . . . . ? C31 N2 Si1 C37 96.3(4) . . . . ? P2 N2 Si1 C37 -69.0(3) . . . . ? C31 N2 Si1 C38 -27.0(4) . . . . ? P2 N2 Si1 C38 167.7(2) . . . . ? _refine_diff_density_max 0.680 _refine_diff_density_min -0.401 _refine_diff_density_rms 0.074 data_5 _database_code_CSD 154170 _audit_creation_method SHELXL _chemical_name_systematic ; 5 ; _chemical_name_common - _chemical_formula_moiety 'C36 H34 N4 P2 Si' _chemical_formula_structural 'C36 H34 N4 P2 Si' _chemical_formula_analytical 'C36 H34 N4 P2 Si' _chemical_formula_sum 'C36 H34 N4 P2 Si' _chemical_formula_weight 612.70 _chemical_melting_point - _chemical_compound_source - 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' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 10.39310(10) _cell_length_b 13.8309(2) _cell_length_c 11.72530(10) _cell_angle_alpha 90.00 _cell_angle_beta 105.9710(10) _cell_angle_gamma 90.00 _cell_volume 1620.41(3) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 92 _cell_measurement_theta_min 12 _cell_measurement_theta_max 168 _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max .34 _exptl_crystal_size_mid .2 _exptl_crystal_size_min .2 _exptl_crystal_density_meas - _exptl_crystal_density_diffrn 1.256 _exptl_crystal_density_method - _exptl_crystal_F_000 644 _exptl_absorpt_coefficient_mu 0.203 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.784994 _exptl_absorpt_correction_T_max 1.00000 _exptl_special_details ; - ; _diffrn_ambient_temperature 293(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 CCD _diffrn_measurement_method 'phi and omega scans' _diffrn_standards_number - _diffrn_standards_interval_count - _diffrn_standards_interval_time - _diffrn_standards_decay_% - _diffrn_reflns_number 10133 _diffrn_reflns_av_R_equivalents 0.0184 _diffrn_reflns_av_sigmaI/netI 0.0297 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 1.81 _diffrn_reflns_theta_max 23.26 _reflns_number_total 4629 _reflns_number_observed 4278 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 10 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0391P)^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 riding _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0071(9) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.01(5) _refine_ls_number_reflns 4619 _refine_ls_number_parameters 389 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0275 _refine_ls_R_factor_obs 0.0237 _refine_ls_wR_factor_all 0.0607 _refine_ls_wR_factor_obs 0.0582 _refine_ls_goodness_of_fit_all 0.967 _refine_ls_goodness_of_fit_obs 0.989 _refine_ls_restrained_S_all 0.989 _refine_ls_restrained_S_obs 0.989 _refine_ls_shift/esd_max -0.008 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Si1 Si -0.22193(5) 0.76226(4) 0.65749(5) 0.04132(14) Uani 1 d . . N1 N -0.07105(13) 0.76995(12) 0.77374(13) 0.0406(4) Uani 1 d . . P1 P 0.07707(4) 0.75280(4) 0.73722(4) 0.04066(13) Uani 1 d . . N2 N -0.31524(13) 0.65418(12) 0.64802(13) 0.0387(3) Uani 1 d . . P2 P -0.46857(4) 0.65670(4) 0.67768(4) 0.03854(13) Uani 1 d . . C1 C 0.1590(2) 0.87215(14) 0.7622(2) 0.0412(5) Uani 1 d . . C2 C 0.0924(2) 0.9547(2) 0.7830(2) 0.0537(5) Uani 1 d . . H2A H 0.0077(2) 0.9490(2) 0.7945(2) 0.064 Uiso 1 calc R . C3 C 0.1509(2) 1.0456(2) 0.7869(2) 0.0667(7) Uani 1 d . . H3A H 0.1059(2) 1.1000(2) 0.8024(2) 0.080 Uiso 1 calc R . C4 C 0.2748(2) 1.0552(2) 0.7679(2) 0.0687(7) Uani 1 d . . H4A H 0.3141(2) 1.1159(2) 0.7714(2) 0.082 Uiso 1 calc R . C5 C 0.3408(2) 0.9751(2) 0.7438(2) 0.0606(6) Uani 1 d . . H5A H 0.4243(2) 0.9817(2) 0.7301(2) 0.073 Uiso 1 calc R . C6 C 0.2831(2) 0.8850(2) 0.7399(2) 0.0504(5) Uani 1 d . . H6A H 0.3280(2) 0.8314(2) 0.7220(2) 0.060 Uiso 1 calc R . C7 C 0.1738(2) 0.67498(14) 0.8588(2) 0.0428(5) Uani 1 d . . C8 C 0.3123(2) 0.6783(2) 0.8997(2) 0.0502(5) Uani 1 d . . H8A H 0.3589(2) 0.7258(2) 0.8713(2) 0.060 Uiso 1 calc R . C9 C 0.3823(2) 0.6121(2) 0.9824(2) 0.0632(6) Uani 1 d . . H9A H 0.4752(2) 0.6150(2) 1.0081(2) 0.076 Uiso 1 calc R . C10 C 0.3158(3) 0.5424(2) 1.0265(2) 0.0670(7) Uani 1 d . . H10A H 0.3630(3) 0.4985(2) 1.0827(2) 0.080 Uiso 1 calc R . C11 C 0.1799(3) 0.5379(2) 0.9875(2) 0.0673(7) Uani 1 d . . H11A H 0.1346(3) 0.4907(2) 1.0177(2) 0.081 Uiso 1 calc R . C12 C 0.1076(2) 0.6027(2) 0.9032(2) 0.0556(6) Uani 1 d . . H12A H 0.0149(2) 0.5977(2) 0.8764(2) 0.067 Uiso 1 calc R . C13 C -0.0804(2) 0.78113(13) 0.8916(2) 0.0416(5) Uani 1 d . . N14 N -0.2005(2) 0.76149(14) 0.9054(2) 0.0563(4) Uani 1 d . . C15 C -0.2165(3) 0.7719(2) 1.0146(2) 0.0688(7) Uani 1 d . . H15A H -0.3007(3) 0.7595(2) 1.0244(2) 0.083 Uiso 1 calc R . C16 C -0.1172(3) 0.7994(2) 1.1121(2) 0.0726(7) Uani 1 d . . H16A H -0.1331(3) 0.8048(2) 1.1861(2) 0.087 Uiso 1 calc R . C17 C 0.0069(3) 0.8189(2) 1.0973(2) 0.0612(6) Uani 1 d . . H17A H 0.0768(3) 0.8378(2) 1.1618(2) 0.073 Uiso 1 calc R . C18 C 0.0271(2) 0.81041(15) 0.9875(2) 0.0492(5) Uani 1 d . . H18A H 0.1104(2) 0.82374(15) 0.9762(2) 0.059 Uiso 1 calc R . C19 C -0.4717(2) 0.54068(14) 0.7528(2) 0.0412(5) Uani 1 d . . C20 C -0.3708(2) 0.5250(2) 0.8559(2) 0.0533(5) Uani 1 d . . H20A H -0.3040(2) 0.5712(2) 0.8811(2) 0.064 Uiso 1 calc R . C21 C -0.3671(2) 0.4418(2) 0.9223(2) 0.0666(7) Uani 1 d . . H21A H -0.2986(2) 0.4328(2) 0.9917(2) 0.080 Uiso 1 calc R . C22 C -0.4646(3) 0.3726(2) 0.8859(2) 0.0807(8) Uani 1 d . . H22A H -0.4614(3) 0.3161(2) 0.9296(2) 0.097 Uiso 1 calc R . C23 C -0.5672(3) 0.3874(2) 0.7843(2) 0.0764(8) Uani 1 d . . H23A H -0.6339(3) 0.3410(2) 0.7599(2) 0.092 Uiso 1 calc R . C24 C -0.5714(2) 0.4708(2) 0.7184(2) 0.0582(6) Uani 1 d . . H24A H -0.6415(2) 0.4804(2) 0.6504(2) 0.070 Uiso 1 calc R . C25 C -0.5907(2) 0.64192(13) 0.5317(2) 0.0392(4) Uani 1 d . . C26 C -0.7266(2) 0.63691(15) 0.5263(2) 0.0508(5) Uani 1 d . . H26A H -0.7525(2) 0.63469(15) 0.5961(2) 0.061 Uiso 1 calc R . C27 C -0.8227(2) 0.6352(2) 0.4183(2) 0.0644(7) Uani 1 d . . H27A H -0.9126(2) 0.6295(2) 0.4157(2) 0.077 Uiso 1 calc R . C28 C -0.7858(2) 0.6421(2) 0.3145(2) 0.0687(7) Uani 1 d . . H28A H -0.8507(2) 0.6408(2) 0.2418(2) 0.082 Uiso 1 calc R . C29 C -0.6532(2) 0.6508(2) 0.3183(2) 0.0628(6) Uani 1 d . . H29A H -0.6285(2) 0.6570(2) 0.2482(2) 0.075 Uiso 1 calc R . C30 C -0.5558(2) 0.6505(2) 0.4263(2) 0.0500(5) Uani 1 d . . H30A H -0.4662(2) 0.6561(2) 0.4279(2) 0.060 Uiso 1 calc R . C31 C -0.2552(2) 0.56854(14) 0.6189(2) 0.0393(4) Uani 1 d . . N32 N -0.1234(2) 0.57596(13) 0.6378(2) 0.0515(4) Uani 1 d . . C33 C -0.0570(2) 0.4977(2) 0.6159(2) 0.0624(6) Uani 1 d . . H33A H 0.0350(2) 0.5026(2) 0.6278(2) 0.075 Uiso 1 calc R . C34 C -0.1173(2) 0.4112(2) 0.5772(2) 0.0594(6) Uani 1 d . . H34A H -0.0674(2) 0.3583(2) 0.5651(2) 0.071 Uiso 1 calc R . C35 C -0.2534(2) 0.40489(15) 0.5568(2) 0.0525(5) Uani 1 d . . H35A H -0.2972(2) 0.34714(15) 0.5301(2) 0.063 Uiso 1 calc R . C36 C -0.3249(2) 0.48380(14) 0.5757(2) 0.0447(5) Uani 1 d . . H36A H -0.4175(2) 0.48095(14) 0.5601(2) 0.054 Uiso 1 calc R . C37 C -0.1804(2) 0.7795(2) 0.5142(2) 0.0623(6) Uani 1 d . . H37A H -0.1296(2) 0.8379(2) 0.5174(2) 0.093 Uiso 1 calc R . H37B H -0.2615(2) 0.7839(2) 0.4509(2) 0.093 Uiso 1 calc R . H37C H -0.1286(2) 0.7255(2) 0.5003(2) 0.093 Uiso 1 calc R . C38 C -0.3332(2) 0.8658(2) 0.6674(3) 0.0679(7) Uani 1 d . . H38A H -0.2841(2) 0.9252(2) 0.6726(3) 0.102 Uiso 1 calc R . H38B H -0.3645(2) 0.8586(2) 0.7367(3) 0.102 Uiso 1 calc R . H38C H -0.4083(2) 0.8670(2) 0.5980(3) 0.102 Uiso 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 Si1 0.0314(2) 0.0382(3) 0.0509(3) 0.0010(3) 0.0054(2) -0.0033(2) N1 0.0348(8) 0.0416(10) 0.0435(9) -0.0069(8) 0.0074(7) -0.0039(7) P1 0.0332(2) 0.0431(3) 0.0444(3) -0.0063(2) 0.0086(2) -0.0031(2) N2 0.0310(8) 0.0370(8) 0.0470(9) -0.0068(8) 0.0089(6) -0.0008(7) P2 0.0320(2) 0.0395(3) 0.0438(3) -0.0050(2) 0.0099(2) -0.0014(2) C1 0.0348(10) 0.0448(12) 0.0397(11) -0.0004(9) 0.0030(8) -0.0032(9) C2 0.0391(11) 0.0502(13) 0.0661(15) 0.0038(11) 0.0047(10) -0.0023(10) C3 0.0575(15) 0.0434(14) 0.088(2) 0.0006(12) 0.0011(13) 0.0007(11) C4 0.059(2) 0.053(2) 0.082(2) 0.0095(13) -0.0011(13) -0.0175(12) C5 0.0484(13) 0.067(2) 0.0626(15) 0.0082(12) 0.0095(11) -0.0159(12) C6 0.0429(12) 0.0566(14) 0.0505(12) -0.0008(10) 0.0107(10) -0.0048(10) C7 0.0438(11) 0.0386(12) 0.0446(11) -0.0098(9) 0.0098(9) 0.0020(9) C8 0.0434(11) 0.0533(14) 0.0530(13) -0.0018(10) 0.0115(9) 0.0066(9) C9 0.0524(13) 0.074(2) 0.0566(14) -0.0077(12) 0.0037(11) 0.0147(12) C10 0.079(2) 0.0516(15) 0.060(2) 0.0015(12) 0.0013(13) 0.0118(13) C11 0.088(2) 0.0430(13) 0.068(2) 0.0046(11) 0.0156(14) -0.0053(12) C12 0.0524(13) 0.0460(13) 0.0652(15) -0.0032(11) 0.0108(11) -0.0017(10) C13 0.0408(10) 0.0361(11) 0.0485(12) -0.0040(9) 0.0133(9) -0.0005(8) N14 0.0504(10) 0.0552(11) 0.0696(12) -0.0114(10) 0.0272(9) -0.0057(9) C15 0.075(2) 0.063(2) 0.084(2) -0.0034(14) 0.0487(14) -0.0030(13) C16 0.108(2) 0.061(2) 0.059(2) -0.0040(12) 0.040(2) 0.0024(14) C17 0.074(2) 0.0554(14) 0.0508(14) -0.0037(11) 0.0125(12) 0.0094(11) C18 0.0481(11) 0.0464(12) 0.0509(13) -0.0063(10) 0.0097(10) 0.0039(9) C19 0.0383(10) 0.0456(12) 0.0409(11) -0.0024(9) 0.0128(8) 0.0000(9) C20 0.0471(12) 0.0620(15) 0.0471(12) -0.0022(11) 0.0068(10) 0.0027(10) C21 0.0641(15) 0.074(2) 0.0559(15) 0.0107(13) 0.0059(11) 0.0150(14) C22 0.104(2) 0.067(2) 0.069(2) 0.0238(14) 0.019(2) 0.006(2) C23 0.090(2) 0.063(2) 0.070(2) 0.0143(13) 0.0113(15) -0.0255(14) C24 0.0596(13) 0.0610(15) 0.0482(13) 0.0080(11) 0.0051(10) -0.0123(11) C25 0.0334(10) 0.0318(10) 0.0495(11) 0.0006(9) 0.0064(8) 0.0005(8) C26 0.0379(11) 0.0516(13) 0.0603(13) 0.0011(10) 0.0089(9) 0.0008(9) C27 0.0355(11) 0.064(2) 0.084(2) 0.0027(13) -0.0009(11) 0.0009(10) C28 0.061(2) 0.058(2) 0.067(2) 0.0019(13) -0.0154(12) 0.0018(12) C29 0.069(2) 0.0644(15) 0.0487(13) 0.0050(12) 0.0058(11) -0.0034(13) C30 0.0435(10) 0.0546(12) 0.0493(12) 0.0008(11) 0.0084(9) -0.0034(10) C31 0.0350(11) 0.0434(12) 0.0391(11) -0.0016(9) 0.0095(8) 0.0006(9) N32 0.0404(10) 0.0525(11) 0.0637(11) -0.0118(9) 0.0179(8) -0.0020(8) C33 0.0401(12) 0.070(2) 0.079(2) -0.0113(13) 0.0197(11) 0.0115(11) C34 0.063(2) 0.0516(14) 0.068(2) -0.0084(12) 0.0251(12) 0.0136(11) C35 0.0646(15) 0.0396(12) 0.0545(13) -0.0086(10) 0.0187(11) -0.0028(10) C36 0.0445(11) 0.0415(12) 0.0493(12) -0.0098(9) 0.0146(9) -0.0025(9) C37 0.0498(12) 0.074(2) 0.0583(14) 0.0125(12) 0.0065(10) -0.0108(11) C38 0.0504(13) 0.0411(13) 0.104(2) 0.0015(13) 0.0082(13) 0.0031(11) _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 Si1 N2 1.769(2) . ? Si1 N1 1.7754(14) . ? Si1 C37 1.862(2) . ? Si1 C38 1.865(2) . ? N1 C13 1.420(2) . ? N1 P1 1.7240(15) . ? P1 C1 1.843(2) . ? P1 C7 1.847(2) . ? N2 C31 1.423(2) . ? N2 P2 1.7224(14) . ? P2 C19 1.835(2) . ? P2 C25 1.840(2) . ? C1 C2 1.390(3) . ? C1 C6 1.396(3) . ? C2 C3 1.393(3) . ? C3 C4 1.373(3) . ? C4 C5 1.372(3) . ? C5 C6 1.378(3) . ? C7 C8 1.387(3) . ? C7 C12 1.393(3) . ? C8 C9 1.386(3) . ? C9 C10 1.367(4) . ? C10 C11 1.361(4) . ? C11 C12 1.391(3) . ? C13 N14 1.330(2) . ? C13 C18 1.409(3) . ? N14 C15 1.343(3) . ? C15 C16 1.367(4) . ? C16 C17 1.375(4) . ? C17 C18 1.366(3) . ? C19 C20 1.382(3) . ? C19 C24 1.392(3) . ? C20 C21 1.384(3) . ? C21 C22 1.373(4) . ? C22 C23 1.378(4) . ? C23 C24 1.383(3) . ? C25 C30 1.386(3) . ? C25 C26 1.398(3) . ? C26 C27 1.381(3) . ? C27 C28 1.376(3) . ? C28 C29 1.372(3) . ? C29 C30 1.386(3) . ? C31 N32 1.330(2) . ? C31 C36 1.398(3) . ? N32 C33 1.346(3) . ? C33 C34 1.368(3) . ? C34 C35 1.371(3) . ? C35 C36 1.372(3) . ? 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 N2 Si1 N1 116.88(8) . . ? N2 Si1 C37 108.11(9) . . ? N1 Si1 C37 108.06(8) . . ? N2 Si1 C38 108.33(9) . . ? N1 Si1 C38 109.76(10) . . ? C37 Si1 C38 105.06(12) . . ? C13 N1 P1 124.15(12) . . ? C13 N1 Si1 118.12(11) . . ? P1 N1 Si1 117.48(8) . . ? N1 P1 C1 104.02(8) . . ? N1 P1 C7 102.84(8) . . ? C1 P1 C7 105.65(8) . . ? C31 N2 P2 123.79(13) . . ? C31 N2 Si1 116.71(11) . . ? P2 N2 Si1 119.48(9) . . ? N2 P2 C19 102.64(8) . . ? N2 P2 C25 104.46(8) . . ? C19 P2 C25 104.50(9) . . ? C2 C1 C6 117.3(2) . . ? C2 C1 P1 122.18(14) . . ? C6 C1 P1 119.6(2) . . ? C1 C2 C3 120.9(2) . . ? C4 C3 C2 120.1(2) . . ? C5 C4 C3 120.0(2) . . ? C4 C5 C6 120.0(2) . . ? C5 C6 C1 121.6(2) . . ? C8 C7 C12 117.8(2) . . ? C8 C7 P1 122.7(2) . . ? C12 C7 P1 119.12(14) . . ? C9 C8 C7 121.0(2) . . ? C10 C9 C8 120.5(2) . . ? C11 C10 C9 119.4(2) . . ? C10 C11 C12 121.1(2) . . ? C11 C12 C7 120.1(2) . . ? N14 C13 C18 121.7(2) . . ? N14 C13 N1 114.4(2) . . ? C18 C13 N1 123.8(2) . . ? C13 N14 C15 117.4(2) . . ? N14 C15 C16 124.3(2) . . ? C15 C16 C17 117.9(2) . . ? C18 C17 C16 119.6(2) . . ? C17 C18 C13 118.9(2) . . ? C20 C19 C24 117.9(2) . . ? C20 C19 P2 116.6(2) . . ? C24 C19 P2 125.33(15) . . ? C19 C20 C21 121.3(2) . . ? C22 C21 C20 120.0(2) . . ? C21 C22 C23 119.6(2) . . ? C22 C23 C24 120.3(2) . . ? C23 C24 C19 120.8(2) . . ? C30 C25 C26 118.2(2) . . ? C30 C25 P2 122.53(13) . . ? C26 C25 P2 118.54(15) . . ? C27 C26 C25 120.7(2) . . ? C28 C27 C26 120.2(2) . . ? C29 C28 C27 119.9(2) . . ? C28 C29 C30 120.3(2) . . ? C25 C30 C29 120.7(2) . . ? N32 C31 C36 122.2(2) . . ? N32 C31 N2 113.3(2) . . ? C36 C31 N2 124.6(2) . . ? C31 N32 C33 117.7(2) . . ? N32 C33 C34 123.7(2) . . ? C33 C34 C35 118.0(2) . . ? C34 C35 C36 120.0(2) . . ? C35 C36 C31 118.4(2) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N2 Si1 N1 C13 -72.0(2) . . . . ? C37 Si1 N1 C13 165.87(14) . . . . ? C38 Si1 N1 C13 51.8(2) . . . . ? N2 Si1 N1 P1 102.50(10) . . . . ? C37 Si1 N1 P1 -19.64(14) . . . . ? C38 Si1 N1 P1 -133.68(12) . . . . ? C13 N1 P1 C1 -72.9(2) . . . . ? Si1 N1 P1 C1 112.94(10) . . . . ? C13 N1 P1 C7 37.1(2) . . . . ? Si1 N1 P1 C7 -137.05(10) . . . . ? N1 Si1 N2 C31 -66.16(14) . . . . ? C37 Si1 N2 C31 55.95(15) . . . . ? C38 Si1 N2 C31 169.3(2) . . . . ? N1 Si1 N2 P2 112.09(10) . . . . ? C37 Si1 N2 P2 -125.80(11) . . . . ? C38 Si1 N2 P2 -12.46(13) . . . . ? C31 N2 P2 C19 34.6(2) . . . . ? Si1 N2 P2 C19 -143.54(10) . . . . ? C31 N2 P2 C25 -74.2(2) . . . . ? Si1 N2 P2 C25 107.63(10) . . . . ? N1 P1 C1 C2 -10.7(2) . . . . ? C7 P1 C1 C2 -118.6(2) . . . . ? N1 P1 C1 C6 -179.44(15) . . . . ? C7 P1 C1 C6 72.6(2) . . . . ? C6 C1 C2 C3 -2.9(3) . . . . ? P1 C1 C2 C3 -171.9(2) . . . . ? C1 C2 C3 C4 1.2(3) . . . . ? C2 C3 C4 C5 0.7(4) . . . . ? C3 C4 C5 C6 -0.7(3) . . . . ? C4 C5 C6 C1 -1.2(3) . . . . ? C2 C1 C6 C5 3.0(3) . . . . ? P1 C1 C6 C5 172.2(2) . . . . ? N1 P1 C7 C8 -148.8(2) . . . . ? C1 P1 C7 C8 -40.0(2) . . . . ? N1 P1 C7 C12 38.3(2) . . . . ? C1 P1 C7 C12 147.1(2) . . . . ? C12 C7 C8 C9 -0.2(3) . . . . ? P1 C7 C8 C9 -173.2(2) . . . . ? C7 C8 C9 C10 -0.8(3) . . . . ? C8 C9 C10 C11 0.7(4) . . . . ? C9 C10 C11 C12 0.3(4) . . . . ? C10 C11 C12 C7 -1.3(4) . . . . ? C8 C7 C12 C11 1.2(3) . . . . ? P1 C7 C12 C11 174.5(2) . . . . ? P1 N1 C13 N14 -158.68(15) . . . . ? Si1 N1 C13 N14 15.4(2) . . . . ? P1 N1 C13 C18 21.3(3) . . . . ? Si1 N1 C13 C18 -164.6(2) . . . . ? C18 C13 N14 C15 0.9(3) . . . . ? N1 C13 N14 C15 -179.2(2) . . . . ? C13 N14 C15 C16 -1.3(4) . . . . ? N14 C15 C16 C17 0.8(4) . . . . ? C15 C16 C17 C18 0.0(3) . . . . ? C16 C17 C18 C13 -0.4(3) . . . . ? N14 C13 C18 C17 -0.1(3) . . . . ? N1 C13 C18 C17 179.9(2) . . . . ? N2 P2 C19 C20 59.2(2) . . . . ? C25 P2 C19 C20 168.05(15) . . . . ? N2 P2 C19 C24 -125.0(2) . . . . ? C25 P2 C19 C24 -16.2(2) . . . . ? C24 C19 C20 C21 1.0(3) . . . . ? P2 C19 C20 C21 177.1(2) . . . . ? C19 C20 C21 C22 0.4(4) . . . . ? C20 C21 C22 C23 -1.2(4) . . . . ? C21 C22 C23 C24 0.7(4) . . . . ? C22 C23 C24 C19 0.6(4) . . . . ? C20 C19 C24 C23 -1.5(3) . . . . ? P2 C19 C24 C23 -177.2(2) . . . . ? N2 P2 C25 C30 -12.8(2) . . . . ? C19 P2 C25 C30 -120.3(2) . . . . ? N2 P2 C25 C26 177.38(15) . . . . ? C19 P2 C25 C26 69.9(2) . . . . ? C30 C25 C26 C27 3.5(3) . . . . ? P2 C25 C26 C27 173.7(2) . . . . ? C25 C26 C27 C28 -2.4(3) . . . . ? C26 C27 C28 C29 -0.2(4) . . . . ? C27 C28 C29 C30 1.5(4) . . . . ? C26 C25 C30 C29 -2.1(3) . . . . ? P2 C25 C30 C29 -171.9(2) . . . . ? C28 C29 C30 C25 -0.4(4) . . . . ? P2 N2 C31 N32 -159.03(13) . . . . ? Si1 N2 C31 N32 19.1(2) . . . . ? P2 N2 C31 C36 20.5(3) . . . . ? Si1 N2 C31 C36 -161.4(2) . . . . ? C36 C31 N32 C33 -1.3(3) . . . . ? N2 C31 N32 C33 178.2(2) . . . . ? C31 N32 C33 C34 -0.9(3) . . . . ? N32 C33 C34 C35 1.7(4) . . . . ? C33 C34 C35 C36 -0.2(3) . . . . ? C34 C35 C36 C31 -1.8(3) . . . . ? N32 C31 C36 C35 2.6(3) . . . . ? N2 C31 C36 C35 -176.8(2) . . . . ? _refine_diff_density_max 0.112 _refine_diff_density_min -0.108 _refine_diff_density_rms 0.022 data_9 _database_code_CSD 154171 _audit_creation_method SHELXL _chemical_name_systematic ; 9 ; _chemical_name_common 9 _chemical_formula_moiety 'C34 H30 Cl2 N4 P2 Pt.C H Cl3' _chemical_formula_structural 'C35 H31 Cl5 N4 P2 Pt' _chemical_formula_analytical 'C35 H31 Cl5 N4 P2 Pt' _chemical_formula_sum 'C35 H31 Cl5 N4 P2 Pt' _chemical_formula_weight 941.92 _chemical_melting_point - _chemical_compound_source - 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' 'P' 'P' 0.1023 0.0942 '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 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.0529(2) _cell_length_b 15.5961(6) _cell_length_c 16.3639(3) _cell_angle_alpha 101.805(2) _cell_angle_beta 105.754(2) _cell_angle_gamma 95.534(2) _cell_volume 2385.37(11) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 59 _cell_measurement_theta_min 12 _cell_measurement_theta_max 168 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max .27 _exptl_crystal_size_mid .13 _exptl_crystal_size_min .02 _exptl_crystal_density_meas - _exptl_crystal_density_diffrn 1.311 _exptl_crystal_density_method - _exptl_crystal_F_000 924 _exptl_absorpt_coefficient_mu 3.313 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.768560 _exptl_absorpt_correction_T_max 1.000000 _exptl_special_details ; - ; _diffrn_ambient_temperature 293(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 SMART _diffrn_measurement_method CCD _diffrn_standards_number - _diffrn_standards_interval_count - _diffrn_standards_interval_time - _diffrn_standards_decay_% - _diffrn_reflns_number 14884 _diffrn_reflns_av_R_equivalents 0.0541 _diffrn_reflns_av_sigmaI/netI 0.0911 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.65 _diffrn_reflns_theta_max 23.25 _reflns_number_total 6838 _reflns_number_observed 5121 _reflns_observed_criterion >2sigma(I) _computing_data_collection SMART _computing_cell_refinement SMART/SAINT _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics SHELXTL _computing_publication_material SHELXTL _refine_special_details ; Refinement on F^2^ for ALL reflections except for 50 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.1457P)^2^+26.8939P] 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 riding _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0031(5) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 6788 _refine_ls_number_parameters 459 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.1247 _refine_ls_R_factor_obs 0.0928 _refine_ls_wR_factor_all 0.3252 _refine_ls_wR_factor_obs 0.2508 _refine_ls_goodness_of_fit_all 1.084 _refine_ls_goodness_of_fit_obs 1.193 _refine_ls_restrained_S_all 1.364 _refine_ls_restrained_S_obs 1.193 _refine_ls_shift/esd_max -0.422 _refine_ls_shift/esd_mean 0.013 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Pt1 Pt 0.10912(5) 0.14002(3) 0.27563(3) 0.04344(13) Uani 1 d . . Cl1 Cl -0.2037(4) 0.2485(3) 0.5370(2) 0.0739(11) Uani 1 d . . Cl2 Cl 0.5733(5) 0.2043(5) 0.1144(3) 0.128(2) Uani 1 d . . P1 P 0.0643(3) 0.2337(2) 0.3840(2) 0.0432(8) Uani 1 d . . N1 N -0.0731(5) 0.1698(5) 0.3942(6) 0.049(3) Uani 1 d D . H1N H -0.1549(8) 0.1957(14) 0.4025(24) 0.067(41) Uiso 1 d D . C1 C -0.0054(12) 0.3346(8) 0.3652(8) 0.047(3) Uani 1 d . . C2 C -0.1301(14) 0.3267(10) 0.3049(10) 0.063(4) Uani 1 d . . H2A H -0.1820(14) 0.2709(10) 0.2757(10) 0.076 Uiso 1 calc R . C3 C -0.1791(16) 0.4002(10) 0.2871(10) 0.077(5) Uani 1 d . . H3A H -0.2662(16) 0.3952(10) 0.2465(10) 0.092 Uiso 1 calc R . C4 C -0.1026(20) 0.4810(10) 0.3279(11) 0.086(5) Uani 1 d . . H4A H -0.1380(20) 0.5315(10) 0.3160(11) 0.104 Uiso 1 calc R . C5 C 0.0286(20) 0.4894(9) 0.3874(11) 0.084(5) Uani 1 d . . H5A H 0.0830(20) 0.5451(9) 0.4137(11) 0.101 Uiso 1 calc R . C6 C 0.0769(17) 0.4152(9) 0.4068(10) 0.071(5) Uani 1 d . . H6A H 0.1638(17) 0.4192(9) 0.4474(10) 0.085 Uiso 1 calc R . C7 C 0.2008(12) 0.2605(7) 0.4846(8) 0.044(3) Uani 1 d . . C8 C 0.3320(13) 0.2450(10) 0.4886(9) 0.062(4) Uani 1 d . . H8A H 0.3515(13) 0.2200(10) 0.4374(9) 0.074 Uiso 1 calc R . C9 C 0.4420(14) 0.2662(11) 0.5703(11) 0.072(5) Uani 1 d . . H9A H 0.5332(14) 0.2582(11) 0.5723(11) 0.086 Uiso 1 calc R . C10 C 0.4092(14) 0.2974(10) 0.6422(10) 0.068(5) Uani 1 d . . H10A H 0.4786(14) 0.3100(10) 0.6957(10) 0.082 Uiso 1 calc R . C11 C 0.2779(14) 0.3118(9) 0.6408(9) 0.059(4) Uani 1 d . . H11A H 0.2596(14) 0.3349(9) 0.6930(9) 0.071 Uiso 1 calc R . C12 C 0.1756(13) 0.2933(8) 0.5664(9) 0.056(4) Uani 1 d . . H12A H 0.0856(13) 0.3018(8) 0.5672(9) 0.067 Uiso 1 calc R . C13 C -0.0715(12) 0.0781(7) 0.3771(8) 0.046(3) Uani 1 d . . N14 N 0.0094(11) 0.0487(7) 0.3293(7) 0.054(3) Uani 1 d . . C15 C 0.0277(15) -0.0364(9) 0.3212(10) 0.062(4) Uani 1 d . . H15A H 0.0906(15) -0.0567(9) 0.2922(10) 0.074 Uiso 1 calc R . C16 C -0.0418(16) -0.0945(10) 0.3534(10) 0.068(4) Uani 1 d . . H16A H -0.0285(16) -0.1535(10) 0.3459(10) 0.082 Uiso 1 calc R . C17 C -0.1322(16) -0.0626(10) 0.3975(11) 0.075(5) Uani 1 d . . H17A H -0.1828(16) -0.1011(10) 0.4188(11) 0.090 Uiso 1 calc R . C18 C -0.1494(14) 0.0248(8) 0.4107(9) 0.057(4) Uani 1 d . . H18A H -0.2102(14) 0.0469(8) 0.4406(9) 0.068 Uiso 1 calc R . P2 P 0.2253(4) 0.2331(2) 0.2222(2) 0.0509(9) Uani 1 d . . N2 N 0.3113(6) 0.1625(6) 0.1738(5) 0.065(3) Uani 1 d D . H2N H 0.3792(12) 0.1889(17) 0.1492(12) 0.107(59) Uiso 1 d D . C19 C 0.3601(12) 0.3232(9) 0.2940(8) 0.050(4) Uani 1 d . . C20 C 0.4849(17) 0.3065(12) 0.3377(12) 0.088(5) Uani 1 d . . H20A H 0.5063(17) 0.2493(12) 0.3294(12) 0.105 Uiso 1 calc R . C21 C 0.5863(18) 0.3818(14) 0.3991(11) 0.096(7) Uani 1 d . . H21A H 0.6712(18) 0.3722(14) 0.4335(11) 0.115 Uiso 1 calc R . C22 C 0.5565(19) 0.4629(13) 0.4054(12) 0.096(6) Uani 1 d . . H22A H 0.6236(19) 0.5115(13) 0.4398(12) 0.115 Uiso 1 calc R . C23 C 0.4276(19) 0.4750(11) 0.3615(12) 0.088(6) Uani 1 d . . H23A H 0.4056(19) 0.5321(11) 0.3681(12) 0.106 Uiso 1 calc R . C24 C 0.3321(15) 0.4077(8) 0.3096(9) 0.060(4) Uani 1 d . . H24A H 0.2431(15) 0.4183(8) 0.2829(9) 0.072 Uiso 1 calc R . C25 C 0.1153(15) 0.2798(9) 0.1411(8) 0.057(4) Uani 1 d . . C26 C -0.0273(15) 0.2713(9) 0.1277(10) 0.063(4) Uani 1 d . . H26A H -0.0678(15) 0.2404(9) 0.1602(10) 0.075 Uiso 1 calc R . C27 C -0.1108(18) 0.3084(11) 0.0665(11) 0.079(5) Uani 1 d . . H27A H -0.2072(18) 0.3002(11) 0.0565(11) 0.095 Uiso 1 calc R . C28 C -0.0538(22) 0.3560(12) 0.0218(12) 0.098(7) Uani 1 d . . H28A H -0.1098(22) 0.3823(12) -0.0180(12) 0.117 Uiso 1 calc R . C29 C 0.0993(22) 0.3665(12) 0.0362(11) 0.094(6) Uani 1 d . . H29A H 0.1396(22) 0.3970(12) 0.0034(11) 0.112 Uiso 1 calc R . C30 C 0.1788(17) 0.3321(11) 0.0963(9) 0.075(5) Uani 1 d . . H30A H 0.2757(17) 0.3423(11) 0.1088(9) 0.090 Uiso 1 calc R . C31 C 0.2423(14) 0.0752(9) 0.1355(8) 0.057(4) Uani 1 d . . N32 N 0.1377(11) 0.0490(8) 0.1667(8) 0.066(4) Uani 1 d . . C33 C 0.0579(14) -0.0316(8) 0.1269(9) 0.059(4) Uani 1 d . . H33A H -0.0215(14) -0.0478(8) 0.1425(9) 0.071 Uiso 1 calc R . C34 C 0.0911(18) -0.0867(10) 0.0671(10) 0.079(5) Uani 1 d . . H34A H 0.0378(18) -0.1429(10) 0.0428(10) 0.095 Uiso 1 calc R . C35 C 0.2077(16) -0.0623(9) 0.0382(10) 0.068(4) Uani 1 d . . H35A H 0.2321(16) -0.1023(9) -0.0037(10) 0.081 Uiso 1 calc R . C36 C 0.2801(15) 0.0182(10) 0.0724(10) 0.067(4) Uani 1 d . . H36A H 0.3558(15) 0.0365(10) 0.0542(10) 0.080 Uiso 1 calc R . C50 C -0.3933(25) -0.1412(16) 0.1011(17) 0.050(6) Uiso 0.50 d P . H50A H -0.4539(25) -0.1511(16) 0.0409(17) 0.059 Uiso 0.50 calc PR . Cl3 Cl -0.3427(8) -0.0309(5) 0.1420(5) 0.068(2) Uani 0.50 d P . Cl4 Cl -0.2498(7) -0.1957(5) 0.0988(7) 0.091(3) Uani 0.50 d P . Cl5 Cl -0.4926(11) -0.1819(9) 0.1628(6) 0.137(4) Uani 0.50 d P . C60 C -0.1462(15) 0.3451(10) 0.7296(10) 0.008(3) Uiso 0.50 d P . H60A H -0.1732(15) 0.3398(10) 0.6664(10) 0.009 Uiso 0.50 calc PR . Cl6 Cl 0.0489(7) 0.3372(7) 0.7966(5) 0.082(3) Uani 0.50 d P . Cl7 Cl -0.1970(8) 0.4162(4) 0.7919(5) 0.077(2) Uani 0.50 d P . Cl8 Cl -0.2031(10) 0.2340(5) 0.7841(5) 0.090(3) Uani 0.50 d P . 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 0.0517(2) 0.0309(2) 0.0494(2) 0.0052(2) 0.0225(2) 0.0029(2) Cl1 0.067(2) 0.092(3) 0.072(2) 0.013(2) 0.036(2) 0.022(2) Cl2 0.083(3) 0.187(6) 0.086(3) -0.013(3) 0.036(2) -0.048(3) P1 0.046(2) 0.033(2) 0.051(2) 0.0065(13) 0.0200(13) 0.0026(13) N1 0.050(5) 0.041(5) 0.058(6) 0.005(5) 0.024(4) 0.005(4) C1 0.058(6) 0.037(6) 0.055(6) 0.010(5) 0.032(5) 0.013(5) C2 0.058(7) 0.060(8) 0.075(9) 0.016(7) 0.022(7) 0.022(6) C3 0.089(9) 0.084(9) 0.072(9) 0.037(7) 0.025(8) 0.050(8) C4 0.144(13) 0.050(7) 0.092(10) 0.042(7) 0.052(9) 0.041(8) C5 0.139(13) 0.028(7) 0.096(11) 0.024(7) 0.044(10) 0.018(8) C6 0.091(10) 0.040(7) 0.081(9) 0.007(7) 0.032(8) 0.001(7) C7 0.052(6) 0.029(6) 0.052(6) 0.008(5) 0.024(5) 0.002(5) C8 0.054(7) 0.081(10) 0.055(7) 0.011(7) 0.028(6) 0.009(7) C9 0.038(6) 0.091(10) 0.095(10) 0.035(8) 0.020(7) 0.022(7) C10 0.048(8) 0.073(9) 0.069(9) 0.011(8) 0.000(7) 0.003(7) C11 0.059(8) 0.063(8) 0.049(7) 0.002(6) 0.009(6) 0.020(6) C12 0.052(6) 0.051(7) 0.074(8) 0.017(6) 0.030(6) 0.017(6) C13 0.046(6) 0.021(5) 0.065(7) 0.003(5) 0.014(6) 0.002(5) N14 0.066(6) 0.034(5) 0.063(6) 0.002(5) 0.028(5) -0.002(5) C15 0.065(8) 0.043(7) 0.076(9) 0.005(7) 0.026(7) 0.004(6) C16 0.084(9) 0.049(8) 0.076(9) 0.021(7) 0.028(8) 0.010(7) C17 0.084(9) 0.056(8) 0.097(10) 0.029(7) 0.045(8) 0.001(7) C18 0.073(8) 0.035(7) 0.067(7) 0.007(6) 0.038(6) -0.005(6) P2 0.058(2) 0.040(2) 0.054(2) 0.0038(14) 0.0248(15) -0.0042(15) N2 0.087(7) 0.043(6) 0.075(6) 0.002(5) 0.052(5) 0.003(5) C19 0.034(6) 0.063(8) 0.050(7) 0.015(6) 0.010(5) 0.000(6) C20 0.087(10) 0.083(11) 0.106(11) 0.032(9) 0.048(9) -0.003(9) C21 0.069(9) 0.129(16) 0.075(10) 0.009(11) 0.023(8) -0.026(10) C22 0.098(12) 0.078(11) 0.088(12) -0.009(10) 0.027(10) -0.040(10) C23 0.100(12) 0.051(9) 0.085(12) -0.001(8) 0.003(10) -0.012(9) C24 0.074(8) 0.037(7) 0.066(8) 0.002(6) 0.026(7) 0.003(6) C25 0.078(8) 0.048(7) 0.039(6) -0.002(6) 0.021(6) -0.005(7) C26 0.063(8) 0.056(8) 0.062(8) 0.001(7) 0.021(7) 0.002(7) C27 0.086(10) 0.074(10) 0.089(10) 0.030(8) 0.032(8) 0.019(8) C28 0.124(15) 0.082(11) 0.079(11) 0.029(9) 0.009(11) 0.015(11) C29 0.137(14) 0.084(11) 0.068(9) 0.041(8) 0.035(9) 0.001(11) C30 0.090(10) 0.085(10) 0.064(8) 0.035(7) 0.038(7) 0.003(8) C31 0.058(7) 0.063(8) 0.050(7) 0.009(6) 0.022(6) 0.007(6) N32 0.059(6) 0.058(7) 0.079(7) 0.000(6) 0.033(6) 0.005(5) C33 0.069(8) 0.035(7) 0.067(8) -0.011(6) 0.033(6) -0.010(6) C34 0.113(12) 0.045(8) 0.065(9) -0.003(7) 0.026(9) -0.016(8) C35 0.081(9) 0.048(8) 0.069(9) -0.008(7) 0.033(7) 0.001(7) C36 0.069(8) 0.064(9) 0.069(8) -0.001(7) 0.036(7) 0.010(7) Cl3 0.079(4) 0.068(4) 0.066(4) 0.011(3) 0.036(3) 0.026(3) Cl4 0.039(3) 0.063(5) 0.149(8) -0.006(5) 0.016(4) 0.013(3) Cl5 0.144(6) 0.207(10) 0.120(5) 0.099(6) 0.093(5) 0.026(7) Cl6 0.043(3) 0.164(7) 0.051(3) 0.039(4) 0.018(3) 0.029(4) Cl7 0.135(5) 0.050(3) 0.063(4) 0.017(3) 0.036(4) 0.064(3) Cl8 0.152(6) 0.043(4) 0.091(4) 0.016(3) 0.072(4) -0.004(4) _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 N14 2.126(11) . ? Pt1 N32 2.143(12) . ? Pt1 P1 2.231(3) . ? Pt1 P2 2.233(4) . ? P1 N1 1.690(8) . ? P1 C7 1.775(12) . ? P1 C1 1.832(13) . ? N1 C13 1.402(14) . ? C1 C2 1.35(2) . ? C1 C6 1.37(2) . ? C2 C3 1.34(2) . ? C3 C4 1.35(2) . ? C4 C5 1.39(2) . ? C5 C6 1.36(2) . ? C7 C8 1.35(2) . ? C7 C12 1.43(2) . ? C8 C9 1.44(2) . ? C9 C10 1.32(2) . ? C10 C11 1.36(2) . ? C11 C12 1.32(2) . ? C13 N14 1.32(2) . ? C13 C18 1.38(2) . ? N14 C15 1.34(2) . ? C15 C16 1.36(2) . ? C16 C17 1.37(2) . ? C17 C18 1.37(2) . ? P2 N2 1.667(9) . ? P2 C25 1.808(15) . ? P2 C19 1.812(12) . ? N2 C31 1.40(2) . ? C19 C20 1.34(2) . ? C19 C24 1.36(2) . ? C20 C21 1.47(2) . ? C21 C22 1.32(3) . ? C22 C23 1.35(3) . ? C23 C24 1.32(2) . ? C25 C26 1.38(2) . ? C25 C30 1.42(2) . ? C26 C27 1.38(2) . ? C27 C28 1.33(3) . ? C28 C29 1.48(3) . ? C29 C30 1.33(2) . ? C31 N32 1.35(2) . ? C31 C36 1.38(2) . ? N32 C33 1.35(2) . ? C33 C34 1.30(2) . ? C34 C35 1.42(2) . ? C35 C36 1.32(2) . ? C50 Cl3 1.68(3) . ? C50 Cl4 1.75(3) . ? C50 Cl5 1.76(3) . ? C60 Cl7 1.57(2) . ? C60 Cl6 2.00(2) . ? C60 Cl8 2.20(2) . ? 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 N14 Pt1 N32 99.5(4) . . ? N14 Pt1 P1 79.6(3) . . ? N32 Pt1 P1 176.2(3) . . ? N14 Pt1 P2 176.7(3) . . ? N32 Pt1 P2 79.6(3) . . ? P1 Pt1 P2 101.50(12) . . ? N1 P1 C7 108.9(5) . . ? N1 P1 C1 103.2(5) . . ? C7 P1 C1 109.1(5) . . ? N1 P1 Pt1 99.4(3) . . ? C7 P1 Pt1 114.4(4) . . ? C1 P1 Pt1 120.2(4) . . ? C13 N1 P1 116.4(7) . . ? C2 C1 C6 122.1(13) . . ? C2 C1 P1 118.8(9) . . ? C6 C1 P1 118.8(10) . . ? C3 C2 C1 119.5(13) . . ? C2 C3 C4 120.3(14) . . ? C3 C4 C5 120.5(14) . . ? C6 C5 C4 119.1(14) . . ? C5 C6 C1 118.4(15) . . ? C8 C7 C12 116.3(11) . . ? C8 C7 P1 121.6(10) . . ? C12 C7 P1 121.9(9) . . ? C7 C8 C9 121.5(13) . . ? C10 C9 C8 117.7(13) . . ? C9 C10 C11 122.3(13) . . ? C12 C11 C10 120.9(14) . . ? C11 C12 C7 121.1(12) . . ? N14 C13 C18 124.1(11) . . ? N14 C13 N1 115.9(11) . . ? C18 C13 N1 120.0(11) . . ? C13 N14 C15 117.4(12) . . ? C13 N14 Pt1 118.3(8) . . ? C15 N14 Pt1 124.3(10) . . ? N14 C15 C16 123.0(14) . . ? C15 C16 C17 117.4(14) . . ? C18 C17 C16 121.5(15) . . ? C17 C18 C13 116.2(13) . . ? N2 P2 C25 109.2(5) . . ? N2 P2 C19 104.8(5) . . ? C25 P2 C19 106.5(6) . . ? N2 P2 Pt1 99.3(3) . . ? C25 P2 Pt1 114.6(5) . . ? C19 P2 Pt1 121.2(5) . . ? C31 N2 P2 117.4(7) . . ? C20 C19 C24 119.2(13) . . ? C20 C19 P2 120.4(12) . . ? C24 C19 P2 120.2(9) . . ? C19 C20 C21 117.7(17) . . ? C22 C21 C20 119.8(17) . . ? C21 C22 C23 119.4(16) . . ? C24 C23 C22 121.6(17) . . ? C23 C24 C19 121.9(15) . . ? C26 C25 C30 119.9(14) . . ? C26 C25 P2 120.9(11) . . ? C30 C25 P2 119.0(11) . . ? C25 C26 C27 120.6(15) . . ? C28 C27 C26 120.5(17) . . ? C27 C28 C29 119.4(17) . . ? C30 C29 C28 119.7(17) . . ? C29 C30 C25 119.7(16) . . ? N32 C31 C36 121.7(13) . . ? N32 C31 N2 115.2(11) . . ? C36 C31 N2 123.1(12) . . ? C31 N32 C33 118.3(12) . . ? C31 N32 Pt1 117.0(9) . . ? C33 N32 Pt1 124.8(10) . . ? C34 C33 N32 120.8(14) . . ? C33 C34 C35 121.1(13) . . ? C36 C35 C34 118.3(14) . . ? C35 C36 C31 119.3(15) . . ? Cl3 C50 Cl4 111.5(13) . . ? Cl3 C50 Cl5 108.7(15) . . ? Cl4 C50 Cl5 112.3(16) . . ? Cl7 C60 Cl6 105.8(8) . . ? Cl7 C60 Cl8 95.1(9) . . ? Cl6 C60 Cl8 83.5(7) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N14 Pt1 P1 N1 -25.0(4) . . . . ? N32 Pt1 P1 N1 51.6(55) . . . . ? P2 Pt1 P1 N1 158.2(3) . . . . ? N14 Pt1 P1 C7 90.9(5) . . . . ? N32 Pt1 P1 C7 167.4(55) . . . . ? P2 Pt1 P1 C7 -86.0(5) . . . . ? N14 Pt1 P1 C1 -136.3(5) . . . . ? N32 Pt1 P1 C1 -59.8(55) . . . . ? P2 Pt1 P1 C1 46.8(5) . . . . ? C7 P1 N1 C13 -87.0(9) . . . . ? C1 P1 N1 C13 157.2(9) . . . . ? Pt1 P1 N1 C13 33.0(8) . . . . ? N1 P1 C1 C2 -48.2(12) . . . . ? C7 P1 C1 C2 -164.0(11) . . . . ? Pt1 P1 C1 C2 61.0(12) . . . . ? N1 P1 C1 C6 138.0(12) . . . . ? C7 P1 C1 C6 22.3(13) . . . . ? Pt1 P1 C1 C6 -112.7(11) . . . . ? C6 C1 C2 C3 -2.9(23) . . . . ? P1 C1 C2 C3 -176.5(12) . . . . ? C1 C2 C3 C4 1.6(26) . . . . ? C2 C3 C4 C5 1.2(28) . . . . ? C3 C4 C5 C6 -2.7(29) . . . . ? C4 C5 C6 C1 1.3(26) . . . . ? C2 C1 C6 C5 1.4(24) . . . . ? P1 C1 C6 C5 175.0(13) . . . . ? N1 P1 C7 C8 126.8(11) . . . . ? C1 P1 C7 C8 -121.2(12) . . . . ? Pt1 P1 C7 C8 16.6(13) . . . . ? N1 P1 C7 C12 -48.3(11) . . . . ? C1 P1 C7 C12 63.7(12) . . . . ? Pt1 P1 C7 C12 -158.4(9) . . . . ? C12 C7 C8 C9 -4.2(21) . . . . ? P1 C7 C8 C9 -179.5(12) . . . . ? C7 C8 C9 C10 3.3(24) . . . . ? C8 C9 C10 C11 -1.7(25) . . . . ? C9 C10 C11 C12 1.2(25) . . . . ? C10 C11 C12 C7 -2.2(22) . . . . ? C8 C7 C12 C11 3.7(20) . . . . ? P1 C7 C12 C11 179.0(11) . . . . ? P1 N1 C13 N14 -20.6(13) . . . . ? P1 N1 C13 C18 158.3(10) . . . . ? C18 C13 N14 C15 -7.3(18) . . . . ? N1 C13 N14 C15 171.6(10) . . . . ? C18 C13 N14 Pt1 175.5(10) . . . . ? N1 C13 N14 Pt1 -5.7(13) . . . . ? N32 Pt1 N14 C13 -155.3(9) . . . . ? P1 Pt1 N14 C13 20.9(8) . . . . ? P2 Pt1 N14 C13 131.4(46) . . . . ? N32 Pt1 N14 C15 27.6(11) . . . . ? P1 Pt1 N14 C15 -156.2(10) . . . . ? P2 Pt1 N14 C15 -45.6(54) . . . . ? C13 N14 C15 C16 5.6(19) . . . . ? Pt1 N14 C15 C16 -177.4(10) . . . . ? N14 C15 C16 C17 -1.2(21) . . . . ? C15 C16 C17 C18 -1.7(22) . . . . ? C16 C17 C18 C13 0.2(21) . . . . ? N14 C13 C18 C17 4.5(19) . . . . ? N1 C13 C18 C17 -174.4(11) . . . . ? N14 Pt1 P2 N2 47.6(49) . . . . ? N32 Pt1 P2 N2 -26.2(4) . . . . ? P1 Pt1 P2 N2 157.5(3) . . . . ? N14 Pt1 P2 C25 163.8(49) . . . . ? N32 Pt1 P2 C25 90.0(6) . . . . ? P1 Pt1 P2 C25 -86.3(5) . . . . ? N14 Pt1 P2 C19 -66.1(50) . . . . ? N32 Pt1 P2 C19 -139.9(6) . . . . ? P1 Pt1 P2 C19 43.8(5) . . . . ? C25 P2 N2 C31 -85.1(10) . . . . ? C19 P2 N2 C31 161.0(9) . . . . ? Pt1 P2 N2 C31 35.1(9) . . . . ? N2 P2 C19 C20 -38.2(14) . . . . ? C25 P2 C19 C20 -153.9(13) . . . . ? Pt1 P2 C19 C20 72.6(14) . . . . ? N2 P2 C19 C24 147.1(11) . . . . ? C25 P2 C19 C24 31.4(14) . . . . ? Pt1 P2 C19 C24 -102.1(12) . . . . ? C24 C19 C20 C21 -1.4(24) . . . . ? P2 C19 C20 C21 -176.2(12) . . . . ? C19 C20 C21 C22 -4.4(27) . . . . ? C20 C21 C22 C23 6.4(30) . . . . ? C21 C22 C23 C24 -2.7(32) . . . . ? C22 C23 C24 C19 -3.3(29) . . . . ? C20 C19 C24 C23 5.2(25) . . . . ? P2 C19 C24 C23 180.0(14) . . . . ? N2 P2 C25 C26 122.5(11) . . . . ? C19 P2 C25 C26 -124.8(11) . . . . ? Pt1 P2 C25 C26 12.1(12) . . . . ? N2 P2 C25 C30 -63.0(12) . . . . ? C19 P2 C25 C30 49.7(12) . . . . ? Pt1 P2 C25 C30 -173.3(9) . . . . ? C30 C25 C26 C27 4.4(20) . . . . ? P2 C25 C26 C27 178.9(11) . . . . ? C25 C26 C27 C28 -2.6(23) . . . . ? C26 C27 C28 C29 1.9(26) . . . . ? C27 C28 C29 C30 -3.2(26) . . . . ? C28 C29 C30 C25 5.0(24) . . . . ? C26 C25 C30 C29 -5.7(22) . . . . ? P2 C25 C30 C29 179.7(13) . . . . ? P2 N2 C31 N32 -22.2(15) . . . . ? P2 N2 C31 C36 159.9(11) . . . . ? C36 C31 N32 C33 -8.2(21) . . . . ? N2 C31 N32 C33 173.8(12) . . . . ? C36 C31 N32 Pt1 172.5(11) . . . . ? N2 C31 N32 Pt1 -5.5(16) . . . . ? N14 Pt1 N32 C31 -155.5(10) . . . . ? P1 Pt1 N32 C31 128.6(50) . . . . ? P2 Pt1 N32 C31 21.3(10) . . . . ? N14 Pt1 N32 C33 25.3(12) . . . . ? P1 Pt1 N32 C33 -50.6(62) . . . . ? P2 Pt1 N32 C33 -157.9(12) . . . . ? C31 N32 C33 C34 8.0(22) . . . . ? Pt1 N32 C33 C34 -172.8(12) . . . . ? N32 C33 C34 C35 -3.4(25) . . . . ? C33 C34 C35 C36 -1.2(25) . . . . ? C34 C35 C36 C31 1.1(24) . . . . ? N32 C31 C36 C35 3.7(23) . . . . ? N2 C31 C36 C35 -178.5(14) . . . . ? _refine_diff_density_max 3.031 _refine_diff_density_min -1.377 _refine_diff_density_rms 0.251