# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full J.Mat.Chem.C _journal_coden_cambridge 1695 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email qiudf2008@gmail.com _publ_contact_author_name 'Dongfang Qiu' loop_ _publ_author_name 'Dongfang Qiu' 'Xiaoyu Bao' 'Qian Zhao' 'Yu-Quan Feng' 'Hongwei Wang' 'Kecheng Liu' data_a _database_code_depnum_ccdc_archive 'CCDC 734378' #TrackingRef '- CCDC-734378.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C36 H36 Cl N3 Pt' _chemical_formula_weight 741.22 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' 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 Monoclinic _symmetry_space_group_name_H-M 'P2(1)/c ' 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 17.668(7) _cell_length_b 18.234(8) _cell_length_c 9.624(4) _cell_angle_alpha 90.00 _cell_angle_beta 98.597(7) _cell_angle_gamma 90.00 _cell_volume 3066(2) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 3809 _cell_measurement_theta_min 2.23 _cell_measurement_theta_max 22.38 _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.606 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1472 _exptl_absorpt_coefficient_mu 4.694 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.5205 _exptl_absorpt_correction_T_max 0.7052 _exptl_absorpt_process_details SADABS _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 APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 16441 _diffrn_reflns_av_R_equivalents 0.0797 _diffrn_reflns_av_sigmaI/netI 0.1091 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 2.23 _diffrn_reflns_theta_max 26.00 _reflns_number_total 5941 _reflns_number_gt 3304 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0560P)^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 5941 _refine_ls_number_parameters 371 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.1254 _refine_ls_R_factor_gt 0.0571 _refine_ls_wR_factor_ref 0.1466 _refine_ls_wR_factor_gt 0.1164 _refine_ls_goodness_of_fit_ref 1.089 _refine_ls_restrained_S_all 1.093 _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 Pt1 Pt 0.62672(3) 0.07282(2) -0.21589(4) 0.04909(17) Uani 1 1 d U . . C1 C 0.7664(7) 0.1752(7) -0.1469(12) 0.065(3) Uani 1 1 d . . . H1 H 0.7929 0.1468 -0.2039 0.078 Uiso 1 1 calc R . . C2 C 0.8021(7) 0.2373(7) -0.0787(13) 0.077(4) Uani 1 1 d . . . H2 H 0.8527 0.2475 -0.0876 0.092 Uiso 1 1 calc R . . C3 C 0.7640(8) 0.2829(7) 0.0004(12) 0.071(3) Uani 1 1 d . . . H3 H 0.7872 0.3250 0.0414 0.085 Uiso 1 1 calc R . . C4 C 0.6897(7) 0.2645(6) 0.0177(12) 0.063(3) Uani 1 1 d . . . H4 H 0.6635 0.2941 0.0732 0.076 Uiso 1 1 calc R . . C5 C 0.6534(7) 0.2029(5) -0.0457(10) 0.052(3) Uani 1 1 d . . . C6 C 0.5778(6) 0.1786(5) -0.0307(9) 0.045(2) Uani 1 1 d . . . C7 C 0.5234(7) 0.2106(5) 0.0477(10) 0.053(3) Uani 1 1 d . . . H7 H 0.5366 0.2534 0.0982 0.063 Uiso 1 1 calc R . . C8 C 0.4545(6) 0.1812(5) 0.0509(10) 0.048(3) Uani 1 1 d . . . C9 C 0.4340(6) 0.1160(5) -0.0269(10) 0.049(3) Uani 1 1 d . . . H9 H 0.3864 0.0943 -0.0258 0.059 Uiso 1 1 calc R . . C10 C 0.4856(6) 0.0857(5) -0.1037(9) 0.042(2) Uani 1 1 d . . . C11 C 0.4741(7) 0.0205(5) -0.1981(9) 0.046(3) Uani 1 1 d . . . C12 C 0.4075(7) -0.0201(6) -0.2123(12) 0.060(3) Uani 1 1 d . . . H12 H 0.3685 -0.0089 -0.1606 0.072 Uiso 1 1 calc R . . C13 C 0.4006(8) -0.0787(6) -0.3078(14) 0.072(3) Uani 1 1 d . . . H13 H 0.3556 -0.1060 -0.3217 0.086 Uiso 1 1 calc R . . C14 C 0.4568(8) -0.0960(6) -0.3782(12) 0.065(3) Uani 1 1 d . . . H14 H 0.4509 -0.1345 -0.4424 0.078 Uiso 1 1 calc R . . C15 C 0.5281(7) -0.0546(6) -0.3548(11) 0.062(3) Uani 1 1 d . . . H15 H 0.5687 -0.0677 -0.4012 0.075 Uiso 1 1 calc R . . C16 C 0.5349(6) 0.0021(4) -0.2670(8) 0.038(2) Uani 1 1 d . . . C17 C 0.3956(6) 0.2168(5) 0.1231(9) 0.041(2) Uani 1 1 d . . . C18 C 0.3905(6) 0.2932(5) 0.1269(10) 0.055(3) Uani 1 1 d . . . H18 H 0.4275 0.3212 0.0919 0.066 Uiso 1 1 calc R . . C19 C 0.3316(6) 0.3289(5) 0.1818(10) 0.049(3) Uani 1 1 d . . . H19 H 0.3273 0.3797 0.1757 0.059 Uiso 1 1 calc R . . C20 C 0.2793(6) 0.2891(5) 0.2454(10) 0.048(3) Uani 1 1 d . . . C21 C 0.2847(6) 0.2124(5) 0.2488(10) 0.056(3) Uani 1 1 d . . . H21 H 0.2501 0.1846 0.2904 0.068 Uiso 1 1 calc R . . C22 C 0.3441(6) 0.1776(5) 0.1876(11) 0.048(3) Uani 1 1 d . . . H22 H 0.3482 0.1267 0.1914 0.058 Uiso 1 1 calc R . . C23 C 0.2137(6) 0.4017(6) 0.3029(11) 0.054(3) Uani 1 1 d . . . C24 C 0.2011(7) 0.4390(7) 0.1765(13) 0.072(3) Uani 1 1 d . . . H24 H 0.1982 0.4132 0.0925 0.086 Uiso 1 1 calc R . . C25 C 0.1926(8) 0.5161(8) 0.1741(18) 0.095(5) Uani 1 1 d . . . H25 H 0.1848 0.5411 0.0889 0.114 Uiso 1 1 calc R . . C26 C 0.1960(9) 0.5550(7) 0.303(2) 0.092(5) Uani 1 1 d . . . H26 H 0.1916 0.6058 0.3042 0.111 Uiso 1 1 calc R . . C27 C 0.2059(7) 0.5158(7) 0.4220(17) 0.085(4) Uani 1 1 d . . . H27 H 0.2064 0.5403 0.5068 0.102 Uiso 1 1 calc R . . C28 C 0.2152(6) 0.4418(6) 0.4245(12) 0.060(3) Uani 1 1 d . . . H28 H 0.2228 0.4176 0.5106 0.073 Uiso 1 1 calc R . . C29 C 0.1711(7) 0.2818(6) 0.3803(11) 0.065(3) Uani 1 1 d . . . H29A H 0.1506 0.3132 0.4471 0.078 Uiso 1 1 calc R . . H29B H 0.1993 0.2425 0.4326 0.078 Uiso 1 1 calc R . . C30 C 0.1042(8) 0.2486(7) 0.2789(13) 0.082(4) Uani 1 1 d . . . H30A H 0.0766 0.2876 0.2247 0.099 Uiso 1 1 calc R . . H30B H 0.1243 0.2158 0.2139 0.099 Uiso 1 1 calc R . . C31 C 0.0490(9) 0.2062(9) 0.3580(16) 0.104(5) Uani 1 1 d . . . H31A H 0.0776 0.1693 0.4169 0.125 Uiso 1 1 calc R . . H31B H 0.0269 0.2397 0.4190 0.125 Uiso 1 1 calc R . . C32 C -0.0141(12) 0.1695(10) 0.262(2) 0.145(8) Uani 1 1 d . . . H32A H -0.0511 0.1507 0.3178 0.174 Uiso 1 1 calc R . . H32B H -0.0398 0.2063 0.1988 0.174 Uiso 1 1 calc R . . C33 C 0.0093(12) 0.1095(12) 0.177(2) 0.140(7) Uani 1 1 d . . . H33A H -0.0339 0.0946 0.1086 0.168 Uiso 1 1 calc R . . H33B H 0.0495 0.1264 0.1267 0.168 Uiso 1 1 calc R . . C34 C 0.0366(14) 0.0471(16) 0.263(3) 0.222(16) Uani 1 1 d D . . H34A H 0.0903 0.0566 0.2956 0.266 Uiso 1 1 calc R . . H34B H 0.0111 0.0498 0.3454 0.266 Uiso 1 1 calc R . . C35 C 0.0324(17) -0.0269(16) 0.222(3) 0.215(12) Uani 1 1 d D . . H35A H 0.0605 -0.0299 0.1426 0.258 Uiso 1 1 calc R . . H35B H -0.0208 -0.0353 0.1837 0.258 Uiso 1 1 calc R . . C36 C 0.0556(13) -0.0902(14) 0.307(3) 0.180(10) Uani 1 1 d D . . H36A H 0.1082 -0.0849 0.3483 0.271 Uiso 1 1 calc R . . H36B H 0.0500 -0.1333 0.2489 0.271 Uiso 1 1 calc R . . H36C H 0.0241 -0.0945 0.3793 0.271 Uiso 1 1 calc R . . Cl1 Cl 0.7117(2) 0.01587(17) -0.3407(3) 0.0804(10) Uani 1 1 d . . . N1 N 0.6953(5) 0.1566(5) -0.1309(9) 0.064(2) Uani 1 1 d U . . N2 N 0.5543(5) 0.1177(4) -0.1071(7) 0.044(2) Uani 1 1 d . . . N3 N 0.2227(6) 0.3238(5) 0.3090(9) 0.065(3) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0569(3) 0.0500(2) 0.0433(2) 0.0029(2) 0.01740(19) 0.0049(2) C1 0.051(8) 0.087(9) 0.061(7) 0.010(6) 0.020(6) -0.015(6) C2 0.043(8) 0.110(11) 0.075(9) 0.029(8) 0.001(7) -0.010(7) C3 0.067(10) 0.081(8) 0.066(8) -0.021(6) 0.012(7) -0.023(7) C4 0.067(9) 0.062(7) 0.059(7) 0.002(6) 0.005(6) -0.004(6) C5 0.062(8) 0.054(6) 0.040(6) 0.013(5) 0.010(6) 0.010(5) C6 0.052(7) 0.044(6) 0.040(5) 0.011(4) 0.012(5) 0.000(5) C7 0.069(9) 0.049(6) 0.042(6) -0.008(5) 0.014(6) -0.004(6) C8 0.050(8) 0.045(6) 0.049(6) 0.005(5) 0.013(5) 0.005(5) C9 0.051(7) 0.055(6) 0.044(5) 0.004(5) 0.017(5) 0.009(5) C10 0.039(7) 0.047(6) 0.038(5) 0.010(4) 0.001(5) 0.002(5) C11 0.061(8) 0.039(5) 0.035(5) 0.006(4) -0.001(5) 0.016(5) C12 0.060(9) 0.056(7) 0.065(7) 0.000(5) 0.013(6) 0.012(6) C13 0.052(8) 0.067(8) 0.096(9) -0.018(7) 0.008(7) -0.003(6) C14 0.068(10) 0.059(7) 0.067(8) -0.015(6) 0.007(7) 0.010(6) C15 0.066(9) 0.068(8) 0.055(7) 0.003(5) 0.015(6) 0.017(6) C16 0.069(8) 0.027(5) 0.017(4) 0.001(3) 0.001(4) 0.015(4) C17 0.043(7) 0.051(6) 0.028(5) -0.006(4) 0.005(4) -0.002(5) C18 0.057(8) 0.062(7) 0.049(6) -0.011(5) 0.024(6) 0.001(5) C19 0.041(7) 0.053(6) 0.054(6) -0.009(5) 0.014(5) -0.005(5) C20 0.052(7) 0.048(6) 0.047(6) -0.007(5) 0.019(5) 0.003(5) C21 0.066(8) 0.052(6) 0.055(6) 0.002(5) 0.024(6) -0.009(5) C22 0.037(6) 0.034(5) 0.078(7) 0.003(5) 0.024(6) 0.005(4) C23 0.047(7) 0.064(7) 0.052(6) -0.005(5) 0.015(6) 0.004(5) C24 0.052(8) 0.100(10) 0.066(8) 0.001(7) 0.013(6) 0.009(6) C25 0.075(11) 0.084(10) 0.132(14) 0.040(9) 0.037(10) 0.011(8) C26 0.075(11) 0.061(9) 0.148(15) -0.009(9) 0.044(11) 0.011(7) C27 0.074(11) 0.073(9) 0.115(12) -0.025(8) 0.039(9) 0.004(7) C28 0.048(8) 0.076(8) 0.058(7) -0.011(6) 0.011(6) 0.013(6) C29 0.067(9) 0.078(8) 0.056(7) -0.007(6) 0.027(7) -0.002(7) C30 0.064(10) 0.110(11) 0.078(9) -0.004(7) 0.030(8) -0.008(7) C31 0.076(12) 0.140(14) 0.105(11) -0.021(10) 0.043(10) -0.003(10) C32 0.16(2) 0.146(17) 0.137(16) -0.038(13) 0.053(16) -0.043(15) C33 0.107(17) 0.147(17) 0.17(2) -0.045(16) 0.037(14) -0.015(13) C34 0.13(2) 0.16(2) 0.34(4) -0.08(3) -0.08(2) 0.025(18) C35 0.20(3) 0.21(3) 0.23(3) 0.00(3) 0.02(3) -0.01(3) C36 0.13(2) 0.19(2) 0.22(3) -0.01(2) 0.030(19) 0.044(16) Cl1 0.085(3) 0.085(2) 0.081(2) -0.0127(16) 0.0433(19) 0.0040(17) N1 0.039(6) 0.092(6) 0.062(6) 0.030(5) 0.007(5) 0.016(4) N2 0.061(6) 0.040(5) 0.030(4) 0.004(3) 0.011(4) 0.004(4) N3 0.075(8) 0.058(6) 0.070(6) -0.005(5) 0.034(6) -0.005(5) _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 N2 1.951(7) . ? Pt1 N1 2.043(10) . ? Pt1 C16 2.073(10) . ? Pt1 Cl1 2.305(3) . ? C1 N1 1.333(13) . ? C1 C2 1.408(16) . ? C1 H1 0.9300 . ? C2 C3 1.371(16) . ? C2 H2 0.9300 . ? C3 C4 1.389(16) . ? C3 H3 0.9300 . ? C4 C5 1.388(14) . ? C4 H4 0.9300 . ? C5 C6 1.434(14) . ? C5 N1 1.454(12) . ? C6 N2 1.362(11) . ? C6 C7 1.433(13) . ? C7 C8 1.334(14) . ? C7 H7 0.9300 . ? C8 C9 1.424(13) . ? C8 C17 1.484(13) . ? C9 C10 1.374(12) . ? C9 H9 0.9300 . ? C10 N2 1.351(12) . ? C10 C11 1.492(12) . ? C11 C12 1.380(14) . ? C11 C16 1.385(12) . ? C12 C13 1.404(14) . ? C12 H12 0.9300 . ? C13 C14 1.321(15) . ? C13 H13 0.9300 . ? C14 C15 1.458(17) . ? C14 H14 0.9300 . ? C15 C16 1.328(12) . ? C15 H15 0.9300 . ? C17 C22 1.376(12) . ? C17 C18 1.397(12) . ? C18 C19 1.398(13) . ? C18 H18 0.9300 . ? C19 C20 1.387(13) . ? C19 H19 0.9300 . ? C20 N3 1.399(12) . ? C20 C21 1.401(13) . ? C21 C22 1.428(13) . ? C21 H21 0.9300 . ? C22 H22 0.9300 . ? C23 C28 1.377(14) . ? C23 C24 1.382(15) . ? C23 N3 1.430(12) . ? C24 C25 1.413(16) . ? C24 H24 0.9300 . ? C25 C26 1.42(2) . ? C25 H25 0.9300 . ? C26 C27 1.342(19) . ? C26 H26 0.9300 . ? C27 C28 1.359(14) . ? C27 H27 0.9300 . ? C28 H28 0.9300 . ? C29 N3 1.442(12) . ? C29 C30 1.539(16) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C30 C31 1.534(16) . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C31 C32 1.50(2) . ? C31 H31A 0.9700 . ? C31 H31B 0.9700 . ? C32 C33 1.46(2) . ? C32 H32A 0.9700 . ? C32 H32B 0.9700 . ? C33 C34 1.45(3) . ? C33 H33A 0.9700 . ? C33 H33B 0.9700 . ? C34 C35 1.404(17) . ? C34 H34A 0.9700 . ? C34 H34B 0.9700 . ? C35 C36 1.438(17) . ? C35 H35A 0.9700 . ? C35 H35B 0.9700 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 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 N2 Pt1 N1 82.5(4) . . ? N2 Pt1 C16 80.5(3) . . ? N1 Pt1 C16 163.0(3) . . ? N2 Pt1 Cl1 178.0(2) . . ? N1 Pt1 Cl1 98.8(3) . . ? C16 Pt1 Cl1 98.2(2) . . ? N1 C1 C2 121.0(11) . . ? N1 C1 H1 119.5 . . ? C2 C1 H1 119.5 . . ? C3 C2 C1 121.6(12) . . ? C3 C2 H2 119.2 . . ? C1 C2 H2 119.2 . . ? C2 C3 C4 118.1(11) . . ? C2 C3 H3 120.9 . . ? C4 C3 H3 120.9 . . ? C5 C4 C3 121.7(11) . . ? C5 C4 H4 119.2 . . ? C3 C4 H4 119.2 . . ? C4 C5 C6 125.5(10) . . ? C4 C5 N1 118.5(10) . . ? C6 C5 N1 116.0(9) . . ? N2 C6 C7 116.2(9) . . ? N2 C6 C5 114.3(8) . . ? C7 C6 C5 129.4(10) . . ? C8 C7 C6 122.3(10) . . ? C8 C7 H7 118.8 . . ? C6 C7 H7 118.8 . . ? C7 C8 C9 119.0(9) . . ? C7 C8 C17 122.7(9) . . ? C9 C8 C17 118.0(9) . . ? C10 C9 C8 118.8(10) . . ? C10 C9 H9 120.6 . . ? C8 C9 H9 120.6 . . ? N2 C10 C9 120.6(9) . . ? N2 C10 C11 111.8(8) . . ? C9 C10 C11 127.4(10) . . ? C12 C11 C16 122.3(9) . . ? C12 C11 C10 121.6(10) . . ? C16 C11 C10 116.1(9) . . ? C11 C12 C13 117.5(11) . . ? C11 C12 H12 121.3 . . ? C13 C12 H12 121.3 . . ? C14 C13 C12 121.3(12) . . ? C14 C13 H13 119.3 . . ? C12 C13 H13 119.3 . . ? C13 C14 C15 119.7(11) . . ? C13 C14 H14 120.2 . . ? C15 C14 H14 120.2 . . ? C16 C15 C14 119.7(11) . . ? C16 C15 H15 120.2 . . ? C14 C15 H15 120.2 . . ? C15 C16 C11 119.3(10) . . ? C15 C16 Pt1 128.9(8) . . ? C11 C16 Pt1 111.8(6) . . ? C22 C17 C18 117.2(8) . . ? C22 C17 C8 122.7(9) . . ? C18 C17 C8 120.0(8) . . ? C17 C18 C19 121.9(9) . . ? C17 C18 H18 119.0 . . ? C19 C18 H18 119.0 . . ? C20 C19 C18 120.4(10) . . ? C20 C19 H19 119.8 . . ? C18 C19 H19 119.8 . . ? C19 C20 N3 121.4(9) . . ? C19 C20 C21 119.1(9) . . ? N3 C20 C21 119.5(9) . . ? C20 C21 C22 119.1(8) . . ? C20 C21 H21 120.5 . . ? C22 C21 H21 120.5 . . ? C17 C22 C21 122.1(9) . . ? C17 C22 H22 119.0 . . ? C21 C22 H22 119.0 . . ? C28 C23 C24 117.9(11) . . ? C28 C23 N3 120.3(10) . . ? C24 C23 N3 121.9(10) . . ? C23 C24 C25 120.5(12) . . ? C23 C24 H24 119.8 . . ? C25 C24 H24 119.8 . . ? C24 C25 C26 119.4(13) . . ? C24 C25 H25 120.3 . . ? C26 C25 H25 120.3 . . ? C27 C26 C25 117.6(13) . . ? C27 C26 H26 121.2 . . ? C25 C26 H26 121.2 . . ? C26 C27 C28 123.0(13) . . ? C26 C27 H27 118.5 . . ? C28 C27 H27 118.5 . . ? C27 C28 C23 121.6(12) . . ? C27 C28 H28 119.2 . . ? C23 C28 H28 119.2 . . ? N3 C29 C30 112.8(9) . . ? N3 C29 H29A 109.0 . . ? C30 C29 H29A 109.0 . . ? N3 C29 H29B 109.0 . . ? C30 C29 H29B 109.0 . . ? H29A C29 H29B 107.8 . . ? C31 C30 C29 111.6(11) . . ? C31 C30 H30A 109.3 . . ? C29 C30 H30A 109.3 . . ? C31 C30 H30B 109.3 . . ? C29 C30 H30B 109.3 . . ? H30A C30 H30B 108.0 . . ? C32 C31 C30 112.8(13) . . ? C32 C31 H31A 109.0 . . ? C30 C31 H31A 109.0 . . ? C32 C31 H31B 109.0 . . ? C30 C31 H31B 109.0 . . ? H31A C31 H31B 107.8 . . ? C33 C32 C31 115.7(18) . . ? C33 C32 H32A 108.4 . . ? C31 C32 H32A 108.4 . . ? C33 C32 H32B 108.4 . . ? C31 C32 H32B 108.4 . . ? H32A C32 H32B 107.4 . . ? C34 C33 C32 112(2) . . ? C34 C33 H33A 109.3 . . ? C32 C33 H33A 109.3 . . ? C34 C33 H33B 109.3 . . ? C32 C33 H33B 109.3 . . ? H33A C33 H33B 107.9 . . ? C35 C34 C33 127(3) . . ? C35 C34 H34A 105.7 . . ? C33 C34 H34A 105.7 . . ? C35 C34 H34B 105.7 . . ? C33 C34 H34B 105.7 . . ? H34A C34 H34B 106.1 . . ? C34 C35 C36 128(3) . . ? C34 C35 H35A 105.4 . . ? C36 C35 H35A 105.4 . . ? C34 C35 H35B 105.4 . . ? C36 C35 H35B 105.4 . . ? H35A C35 H35B 106.0 . . ? C35 C36 H36A 109.5 . . ? C35 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C35 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C1 N1 C5 119.1(10) . . ? C1 N1 Pt1 131.1(8) . . ? C5 N1 Pt1 109.8(7) . . ? C10 N2 C6 122.9(8) . . ? C10 N2 Pt1 119.6(6) . . ? C6 N2 Pt1 117.3(7) . . ? C20 N3 C23 120.9(8) . . ? C20 N3 C29 120.8(9) . . ? C23 N3 C29 118.3(9) . . ? 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 N1 C1 C2 C3 -3.4(18) . . . . ? C1 C2 C3 C4 3.1(18) . . . . ? C2 C3 C4 C5 -1.7(17) . . . . ? C3 C4 C5 C6 178.2(10) . . . . ? C3 C4 C5 N1 0.6(15) . . . . ? C4 C5 C6 N2 178.1(9) . . . . ? N1 C5 C6 N2 -4.2(11) . . . . ? C4 C5 C6 C7 0.9(16) . . . . ? N1 C5 C6 C7 178.5(9) . . . . ? N2 C6 C7 C8 2.6(13) . . . . ? C5 C6 C7 C8 179.8(10) . . . . ? C6 C7 C8 C9 -0.4(14) . . . . ? C6 C7 C8 C17 -175.4(9) . . . . ? C7 C8 C9 C10 -0.5(14) . . . . ? C17 C8 C9 C10 174.8(8) . . . . ? C8 C9 C10 N2 -0.9(13) . . . . ? C8 C9 C10 C11 -176.3(8) . . . . ? N2 C10 C11 C12 -179.2(9) . . . . ? C9 C10 C11 C12 -3.4(14) . . . . ? N2 C10 C11 C16 2.6(11) . . . . ? C9 C10 C11 C16 178.3(8) . . . . ? C16 C11 C12 C13 -4.3(15) . . . . ? C10 C11 C12 C13 177.5(9) . . . . ? C11 C12 C13 C14 2.1(17) . . . . ? C12 C13 C14 C15 1.3(18) . . . . ? C13 C14 C15 C16 -2.6(16) . . . . ? C14 C15 C16 C11 0.5(14) . . . . ? C14 C15 C16 Pt1 -178.2(7) . . . . ? C12 C11 C16 C15 3.1(13) . . . . ? C10 C11 C16 C15 -178.7(8) . . . . ? C12 C11 C16 Pt1 -178.0(7) . . . . ? C10 C11 C16 Pt1 0.2(9) . . . . ? N2 Pt1 C16 C15 176.8(9) . . . . ? N1 Pt1 C16 C15 177.5(10) . . . . ? Cl1 Pt1 C16 C15 -4.8(8) . . . . ? N2 Pt1 C16 C11 -1.9(6) . . . . ? N1 Pt1 C16 C11 -1.3(14) . . . . ? Cl1 Pt1 C16 C11 176.4(5) . . . . ? C7 C8 C17 C22 -147.0(10) . . . . ? C9 C8 C17 C22 37.9(13) . . . . ? C7 C8 C17 C18 33.4(14) . . . . ? C9 C8 C17 C18 -141.7(9) . . . . ? C22 C17 C18 C19 -5.9(14) . . . . ? C8 C17 C18 C19 173.8(9) . . . . ? C17 C18 C19 C20 5.4(15) . . . . ? C18 C19 C20 N3 175.9(10) . . . . ? C18 C19 C20 C21 -2.4(15) . . . . ? C19 C20 C21 C22 0.4(15) . . . . ? N3 C20 C21 C22 -178.0(10) . . . . ? C18 C17 C22 C21 3.7(15) . . . . ? C8 C17 C22 C21 -175.9(9) . . . . ? C20 C21 C22 C17 -1.1(16) . . . . ? C28 C23 C24 C25 2.0(17) . . . . ? N3 C23 C24 C25 -179.9(11) . . . . ? C23 C24 C25 C26 -0.9(19) . . . . ? C24 C25 C26 C27 -1(2) . . . . ? C25 C26 C27 C28 2(2) . . . . ? C26 C27 C28 C23 -1(2) . . . . ? C24 C23 C28 C27 -1.1(17) . . . . ? N3 C23 C28 C27 -179.2(11) . . . . ? N3 C29 C30 C31 -178.3(10) . . . . ? C29 C30 C31 C32 -176.6(14) . . . . ? C30 C31 C32 C33 67(2) . . . . ? C31 C32 C33 C34 68(2) . . . . ? C32 C33 C34 C35 151(3) . . . . ? C33 C34 C35 C36 -177(3) . . . . ? C2 C1 N1 C5 2.2(15) . . . . ? C2 C1 N1 Pt1 178.6(8) . . . . ? C4 C5 N1 C1 -0.9(13) . . . . ? C6 C5 N1 C1 -178.7(9) . . . . ? C4 C5 N1 Pt1 -178.0(7) . . . . ? C6 C5 N1 Pt1 4.2(9) . . . . ? N2 Pt1 N1 C1 -179.0(9) . . . . ? C16 Pt1 N1 C1 -179.7(9) . . . . ? Cl1 Pt1 N1 C1 2.6(9) . . . . ? N2 Pt1 N1 C5 -2.3(6) . . . . ? C16 Pt1 N1 C5 -3.0(14) . . . . ? Cl1 Pt1 N1 C5 179.3(5) . . . . ? C9 C10 N2 C6 3.4(13) . . . . ? C11 C10 N2 C6 179.5(8) . . . . ? C9 C10 N2 Pt1 179.5(6) . . . . ? C11 C10 N2 Pt1 -4.5(10) . . . . ? C7 C6 N2 C10 -4.1(12) . . . . ? C5 C6 N2 C10 178.3(8) . . . . ? C7 C6 N2 Pt1 179.7(6) . . . . ? C5 C6 N2 Pt1 2.1(10) . . . . ? N1 Pt1 N2 C10 -176.1(7) . . . . ? C16 Pt1 N2 C10 3.7(6) . . . . ? Cl1 Pt1 N2 C10 -49(8) . . . . ? N1 Pt1 N2 C6 0.2(6) . . . . ? C16 Pt1 N2 C6 180.0(7) . . . . ? Cl1 Pt1 N2 C6 127(7) . . . . ? C19 C20 N3 C23 4.1(15) . . . . ? C21 C20 N3 C23 -177.6(10) . . . . ? C19 C20 N3 C29 -177.1(10) . . . . ? C21 C20 N3 C29 1.2(15) . . . . ? C28 C23 N3 C20 -125.4(11) . . . . ? C24 C23 N3 C20 56.5(15) . . . . ? C28 C23 N3 C29 55.7(15) . . . . ? C24 C23 N3 C29 -122.3(12) . . . . ? C30 C29 N3 C20 -81.0(14) . . . . ? C30 C29 N3 C23 97.8(12) . . . . ? _diffrn_measured_fraction_theta_max 0.986 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.986 _refine_diff_density_max 1.722 _refine_diff_density_min -1.680 _refine_diff_density_rms 0.170