# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 182/1778 data_6 _audit_creation_method SHELXL _chemical_name_systematic ; - ; _chemical_name_common - _chemical_formula_moiety 'C24 H48 Cl2 N6 P2 Pt.[C H2 Cl2]0.5' _chemical_formula_structural 'C24.50 H49 Cl3 N6 P2 Pt' _chemical_formula_analytical 'C24.50 H49 Cl3 N6 P2 Pt' _chemical_formula_sum 'C24.50 H49 Cl3 N6 P2 Pt' _chemical_formula_weight 791.08 _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 Orthorhombic _symmetry_space_group_name_H-M Pna2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z+1/2' _cell_length_a 18.3979(9) _cell_length_b 10.7098(6) _cell_length_c 17.2722(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3403.3(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 149 _cell_measurement_theta_min 12 _cell_measurement_theta_max 168 _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max .23 _exptl_crystal_size_mid .1 _exptl_crystal_size_min .1 _exptl_crystal_density_meas - _exptl_crystal_density_diffrn 1.544 _exptl_crystal_density_method - _exptl_crystal_F_000 1588 _exptl_absorpt_coefficient_mu 4.476 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.268615 _exptl_absorpt_correction_T_max 0.693216 _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 14076 _diffrn_reflns_av_R_equivalents 0.0983 _diffrn_reflns_av_sigmaI/netI 0.1128 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.20 _diffrn_reflns_theta_max 23.20 _reflns_number_total 4808 _reflns_number_observed 3358 _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 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^)+(0.0509P)^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(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 0.001(11) _refine_ls_number_reflns 4758 _refine_ls_number_parameters 344 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0638 _refine_ls_R_factor_obs 0.0428 _refine_ls_wR_factor_all 0.1247 _refine_ls_wR_factor_obs 0.0929 _refine_ls_goodness_of_fit_all 0.748 _refine_ls_goodness_of_fit_obs 0.853 _refine_ls_restrained_S_all 0.957 _refine_ls_restrained_S_obs 0.852 _refine_ls_shift/esd_max -2.346 _refine_ls_shift/esd_mean 0.026 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 0.34007(2) 0.77996(4) 0.38645(4) 0.0420(2) Uani 1 d . . Cl1 Cl 0.22378(14) 0.8309(4) 0.3323(2) 0.0668(9) Uani 1 d . . Cl2 Cl 0.2805(2) 0.7972(4) 0.5077(2) 0.0798(12) Uani 1 d . . P1 P 0.37925(15) 0.7611(3) 0.2624(2) 0.0412(8) Uani 1 d . . P2 P 0.44539(14) 0.7368(3) 0.4464(2) 0.0419(8) Uani 1 d . . N1 N 0.3488(5) 0.6305(10) 0.2267(6) 0.052(3) Uani 1 d . . C2 C 0.3737(7) 0.5714(15) 0.1523(8) 0.070(4) Uani 1 d . . H2A H 0.4262(7) 0.5740(15) 0.1483(8) 0.084 Uiso 1 calc R . H2B H 0.3529(7) 0.6145(15) 0.1081(8) 0.084 Uiso 1 calc R . C3 C 0.3472(11) 0.4392(18) 0.1559(12) 0.116(7) Uani 1 d . . H3A H 0.3850(11) 0.3843(18) 0.1752(12) 0.140 Uiso 1 calc R . H3B H 0.3324(11) 0.4105(18) 0.1050(12) 0.140 Uiso 1 calc R . C4 C 0.2839(12) 0.4415(22) 0.2101(13) 0.143(9) Uani 1 d . . H4A H 0.2392(12) 0.4330(22) 0.1808(13) 0.172 Uiso 1 calc R . H4B H 0.2872(12) 0.3714(22) 0.2455(13) 0.172 Uiso 1 calc R . C5 C 0.2821(6) 0.5583(15) 0.2543(9) 0.073(4) Uani 1 d . . H5A H 0.2850(6) 0.5419(15) 0.3095(9) 0.088 Uiso 1 calc R . H5B H 0.2379(6) 0.6046(15) 0.2437(9) 0.088 Uiso 1 calc R . N6 N 0.4697(6) 0.7606(14) 0.2369(8) 0.051(3) Uani 1 d . . C7 C 0.5203(6) 0.6654(13) 0.2574(7) 0.062(3) Uani 1 d . . H7A H 0.4971(6) 0.5841(13) 0.2586(7) 0.074 Uiso 1 calc R . H7B H 0.5420(6) 0.6819(13) 0.3076(7) 0.074 Uiso 1 calc R . C8 C 0.5772(7) 0.6724(16) 0.1929(8) 0.066(4) Uani 1 d . . H8A H 0.6248(7) 0.6471(16) 0.2112(8) 0.079 Uiso 1 calc R . H8B H 0.5636(7) 0.6215(16) 0.1488(8) 0.079 Uiso 1 calc R . C9 C 0.5752(8) 0.8039(20) 0.1743(11) 0.104(6) Uani 1 d . . H9A H 0.5960(8) 0.8187(20) 0.1235(11) 0.125 Uiso 1 calc R . H9B H 0.6025(8) 0.8516(20) 0.2122(11) 0.125 Uiso 1 calc R . C10 C 0.4974(6) 0.8402(15) 0.1757(9) 0.073(4) Uani 1 d . . H10A H 0.4914(6) 0.9279(15) 0.1881(9) 0.088 Uiso 1 calc R . H10B H 0.4738(6) 0.8227(15) 0.1266(9) 0.088 Uiso 1 calc R . N11 N 0.3488(5) 0.8768(10) 0.2091(5) 0.050(3) Uani 1 d . . C12 C 0.3470(8) 1.0079(16) 0.2340(9) 0.078(5) Uani 1 d . . H12A H 0.3242(8) 1.0158(16) 0.2845(9) 0.093 Uiso 1 calc R . H12B H 0.3956(8) 1.0424(16) 0.2366(9) 0.093 Uiso 1 calc R . C13 C 0.3026(15) 1.0731(23) 0.1729(14) 0.156(10) Uani 1 d . . H13A H 0.2661(15) 1.1256(23) 0.1971(14) 0.187 Uiso 1 calc R . H13B H 0.3337(15) 1.1255(23) 0.1414(14) 0.187 Uiso 1 calc R . C14 C 0.2684(10) 0.9816(21) 0.1260(14) 0.117(7) Uani 1 d . . H14A H 0.2736(10) 1.0038(21) 0.0719(14) 0.140 Uiso 1 calc R . H14B H 0.2169(10) 0.9781(21) 0.1380(14) 0.140 Uiso 1 calc R . C15 C 0.3016(8) 0.8594(17) 0.1400(9) 0.089(5) Uani 1 d . . H15A H 0.2646(8) 0.7969(17) 0.1500(9) 0.107 Uiso 1 calc R . H15B H 0.3302(8) 0.8333(17) 0.0957(9) 0.107 Uiso 1 calc R . N16 N 0.4725(5) 0.5921(9) 0.4280(5) 0.049(3) Uani 1 d . . C17 C 0.4233(7) 0.4922(10) 0.3995(12) 0.065(4) Uani 1 d . . H17A H 0.3821(7) 0.4811(10) 0.4339(12) 0.078 Uiso 1 calc R . H17B H 0.4056(7) 0.5108(10) 0.3479(12) 0.078 Uiso 1 calc R . C18 C 0.4706(8) 0.3806(12) 0.3993(15) 0.093(5) Uani 1 d . . H18A H 0.4951(8) 0.3716(12) 0.3500(15) 0.112 Uiso 1 calc R . H18B H 0.4426(8) 0.3057(12) 0.4096(15) 0.112 Uiso 1 calc R . C19 C 0.5216(9) 0.4033(18) 0.4599(11) 0.106(6) Uani 1 d . . H19A H 0.5008(9) 0.3804(18) 0.5095(11) 0.127 Uiso 1 calc R . H19B H 0.5652(9) 0.3540(18) 0.4518(11) 0.127 Uiso 1 calc R . C20 C 0.5393(6) 0.5373(14) 0.4588(9) 0.069(4) Uani 1 d . . H20A H 0.5805(6) 0.5543(14) 0.4254(9) 0.083 Uiso 1 calc R . H20B H 0.5497(6) 0.5682(14) 0.5104(9) 0.083 Uiso 1 calc R . N21 N 0.4491(6) 0.7466(12) 0.5433(6) 0.038(3) Uani 1 d . . C22 C 0.4205(7) 0.6431(14) 0.5911(7) 0.064(4) Uani 1 d . . H22A H 0.4547(7) 0.5742(14) 0.5924(7) 0.077 Uiso 1 calc R . H22B H 0.3747(7) 0.6132(14) 0.5705(7) 0.077 Uiso 1 calc R . C23 C 0.4103(13) 0.6959(18) 0.6694(9) 0.117(8) Uani 1 d . . H23A H 0.4344(13) 0.6443(18) 0.7078(9) 0.141 Uiso 1 calc R . H23B H 0.3590(13) 0.7005(18) 0.6821(9) 0.141 Uiso 1 calc R . C24 C 0.4416(11) 0.8180(20) 0.6679(9) 0.102(6) Uani 1 d . . H24A H 0.4103(11) 0.8759(20) 0.6954(9) 0.122 Uiso 1 calc R . H24B H 0.4884(11) 0.8167(20) 0.6937(9) 0.122 Uiso 1 calc R . C25 C 0.4507(7) 0.8595(14) 0.5877(7) 0.064(4) Uani 1 d . . H25A H 0.4967(7) 0.9026(14) 0.5810(7) 0.077 Uiso 1 calc R . H25B H 0.4115(7) 0.9149(14) 0.5725(7) 0.077 Uiso 1 calc R . N26 N 0.5111(4) 0.8383(10) 0.4223(5) 0.048(3) Uani 1 d . . C27 C 0.5853(6) 0.8345(14) 0.4527(9) 0.068(4) Uani 1 d . . H27A H 0.6130(6) 0.7674(14) 0.4293(9) 0.081 Uiso 1 calc R . H27B H 0.5855(6) 0.8244(14) 0.5085(9) 0.081 Uiso 1 calc R . C28 C 0.6153(8) 0.9626(16) 0.4291(11) 0.115(7) Uani 1 d . . H28A H 0.6423(8) 0.9983(16) 0.4720(11) 0.138 Uiso 1 calc R . H28B H 0.6484(8) 0.9528(16) 0.3858(11) 0.138 Uiso 1 calc R . C29 C 0.5602(9) 1.0417(17) 0.4086(14) 0.124(9) Uani 1 d . . H29A H 0.5746(9) 1.0927(17) 0.3648(14) 0.149 Uiso 1 calc R . H29B H 0.5480(9) 1.0964(17) 0.4515(14) 0.149 Uiso 1 calc R . C30 C 0.4954(6) 0.9614(11) 0.3874(15) 0.075(3) Uani 1 d . . H30A H 0.4509(6) 0.9963(11) 0.4083(15) 0.090 Uiso 1 calc R . H30B H 0.4906(6) 0.9546(11) 0.3316(15) 0.090 Uiso 1 calc R . C40 C 0.7610(22) 0.8650(45) -0.0669(16) 0.169(25) Uani 0.50 d P . H40A H 0.7487(22) 0.9438(45) -0.0913(16) 0.203 Uiso 0.50 calc PR . H40B H 0.8004(22) 0.8828(45) -0.0312(16) 0.203 Uiso 0.50 calc PR . Cl3 Cl 0.7940(5) 0.7835(10) -0.1309(6) 0.106(4) Uani 0.50 d P . Cl4 Cl 0.6865(5) 0.8251(10) -0.0096(6) 0.116(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 0.0273(2) 0.0544(3) 0.0444(2) 0.0017(6) 0.0036(3) 0.0001(2) Cl1 0.0286(15) 0.099(3) 0.072(2) 0.010(2) 0.0007(14) 0.005(2) Cl2 0.051(2) 0.139(4) 0.049(2) 0.004(2) 0.0153(15) 0.013(2) P1 0.0280(14) 0.056(2) 0.040(2) 0.003(2) 0.0006(13) 0.0018(13) P2 0.0351(14) 0.054(2) 0.037(2) -0.0036(15) 0.0030(12) -0.0035(12) N1 0.047(6) 0.061(8) 0.049(6) -0.018(5) 0.003(4) -0.009(5) C2 0.056(8) 0.091(13) 0.064(9) -0.030(9) -0.002(7) 0.003(8) C3 0.128(16) 0.081(15) 0.141(18) -0.041(13) 0.008(13) -0.029(12) C4 0.141(19) 0.132(20) 0.157(20) -0.076(17) 0.051(16) -0.075(15) C5 0.027(6) 0.113(14) 0.081(10) -0.008(9) -0.001(6) -0.019(7) N6 0.026(6) 0.072(9) 0.057(7) 0.004(6) 0.004(5) 0.003(5) C7 0.040(7) 0.070(9) 0.076(9) -0.013(8) -0.002(6) 0.012(7) C8 0.052(8) 0.078(11) 0.066(9) 0.005(8) 0.003(6) -0.005(7) C9 0.054(9) 0.158(21) 0.099(13) 0.005(13) 0.034(8) -0.018(10) C10 0.034(7) 0.077(11) 0.108(12) 0.016(10) 0.025(7) -0.001(7) N11 0.051(6) 0.060(9) 0.041(6) 0.000(5) 0.003(4) 0.003(5) C12 0.071(10) 0.081(13) 0.081(11) 0.000(9) 0.010(8) 0.017(8) C13 0.212(27) 0.098(19) 0.156(22) 0.039(17) -0.058(20) 0.051(18) C14 0.099(14) 0.126(20) 0.125(18) 0.023(14) -0.041(12) 0.016(12) C15 0.067(9) 0.116(15) 0.084(11) 0.036(10) -0.016(8) 0.028(10) N16 0.049(6) 0.055(7) 0.042(5) -0.017(5) -0.006(4) 0.007(5) C17 0.079(8) 0.041(8) 0.074(13) -0.015(9) -0.003(8) -0.006(6) C18 0.103(10) 0.050(9) 0.127(16) 0.007(13) -0.003(14) 0.013(7) C19 0.079(11) 0.114(17) 0.125(15) -0.006(12) -0.037(11) 0.023(10) C20 0.043(7) 0.075(12) 0.091(11) -0.015(9) -0.011(7) 0.009(7) N21 0.041(7) 0.039(7) 0.035(6) 0.003(5) 0.007(5) -0.009(5) C22 0.074(9) 0.072(11) 0.048(8) 0.007(8) 0.000(7) 0.011(7) C23 0.218(24) 0.096(16) 0.038(9) -0.003(9) 0.019(10) -0.026(15) C24 0.133(15) 0.119(18) 0.054(10) -0.017(10) 0.008(9) -0.034(13) C25 0.062(9) 0.089(13) 0.040(8) -0.013(8) 0.014(7) 0.003(8) N26 0.026(4) 0.064(7) 0.055(6) 0.012(5) 0.000(4) -0.014(4) C27 0.037(7) 0.083(11) 0.082(10) -0.009(9) -0.008(6) -0.002(7) C28 0.056(9) 0.102(14) 0.187(20) 0.044(13) -0.024(10) -0.035(10) C29 0.102(13) 0.108(15) 0.163(28) 0.006(14) -0.023(13) -0.051(11) C30 0.063(7) 0.072(9) 0.092(9) 0.017(18) -0.001(14) -0.022(6) C40 0.200(40) 0.280(55) 0.028(17) 0.092(25) -0.078(22) -0.199(41) Cl3 0.110(6) 0.118(7) 0.090(8) -0.044(6) -0.026(5) 0.073(5) Cl4 0.098(6) 0.122(8) 0.128(8) -0.003(7) 0.035(5) -0.046(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 P2 2.246(3) . ? Pt1 P1 2.270(3) . ? Pt1 Cl2 2.371(3) . ? Pt1 Cl1 2.398(3) . ? P1 N1 1.628(10) . ? P1 N11 1.642(11) . ? P1 N6 1.721(11) . ? P2 N16 1.659(10) . ? P2 N21 1.678(12) . ? P2 N26 1.678(9) . ? N1 C2 1.503(15) . ? N1 C5 1.526(15) . ? C2 C3 1.50(2) . ? C3 C4 1.49(2) . ? C4 C5 1.47(2) . ? N6 C7 1.43(2) . ? N6 C10 1.45(2) . ? C7 C8 1.53(2) . ? C8 C9 1.44(2) . ? C9 C10 1.49(2) . ? N11 C15 1.49(2) . ? N11 C12 1.47(2) . ? C12 C13 1.51(2) . ? C13 C14 1.42(3) . ? C14 C15 1.46(2) . ? N16 C20 1.461(14) . ? N16 C17 1.485(14) . ? C17 C18 1.48(2) . ? C18 C19 1.43(2) . ? C19 C20 1.47(2) . ? N21 C25 1.43(2) . ? N21 C22 1.48(2) . ? C22 C23 1.48(2) . ? C23 C24 1.43(2) . ? C24 C25 1.47(2) . ? N26 C27 1.463(13) . ? N26 C30 1.479(15) . ? C27 C28 1.53(2) . ? C28 C29 1.37(2) . ? C29 C30 1.51(2) . ? C40 Cl3 1.53(5) . ? C40 Cl4 1.74(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 P2 Pt1 P1 98.24(10) . . ? P2 Pt1 Cl2 90.42(11) . . ? P1 Pt1 Cl2 170.98(11) . . ? P2 Pt1 Cl1 175.39(11) . . ? P1 Pt1 Cl1 86.31(11) . . ? Cl2 Pt1 Cl1 85.08(11) . . ? N1 P1 N11 108.6(6) . . ? N1 P1 N6 103.5(6) . . ? N11 P1 N6 100.9(6) . . ? N1 P1 Pt1 108.9(4) . . ? N11 P1 Pt1 110.7(4) . . ? N6 P1 Pt1 123.3(5) . . ? N16 P2 N21 103.8(6) . . ? N16 P2 N26 109.9(5) . . ? N21 P2 N26 100.2(5) . . ? N16 P2 Pt1 111.3(3) . . ? N21 P2 Pt1 118.9(4) . . ? N26 P2 Pt1 111.9(3) . . ? C2 N1 C5 107.4(10) . . ? C2 N1 P1 125.5(9) . . ? C5 N1 P1 126.4(8) . . ? N1 C2 C3 105.3(13) . . ? C2 C3 C4 105.2(16) . . ? C5 C4 C3 111.0(14) . . ? C4 C5 N1 104.5(11) . . ? C7 N6 C10 111.9(10) . . ? C7 N6 P1 124.7(11) . . ? C10 N6 P1 121.6(10) . . ? N6 C7 C8 103.3(11) . . ? C9 C8 C7 101.1(12) . . ? C8 C9 C10 106.0(12) . . ? N6 C10 C9 101.3(13) . . ? C15 N11 C12 110.0(11) . . ? C15 N11 P1 123.6(10) . . ? C12 N11 P1 124.4(9) . . ? C13 C12 N11 104.5(15) . . ? C14 C13 C12 108.7(18) . . ? C13 C14 C15 109.8(17) . . ? N11 C15 C14 105.3(15) . . ? C20 N16 C17 110.2(10) . . ? C20 N16 P2 123.9(8) . . ? C17 N16 P2 123.5(8) . . ? C18 C17 N16 102.9(12) . . ? C17 C18 C19 104.4(16) . . ? C20 C19 C18 107.5(14) . . ? C19 C20 N16 102.1(10) . . ? C25 N21 C22 110.0(11) . . ? C25 N21 P2 126.0(10) . . ? C22 N21 P2 119.6(10) . . ? N21 C22 C23 105.6(13) . . ? C22 C23 C24 106.4(13) . . ? C25 C24 C23 109.9(13) . . ? C24 C25 N21 104.3(14) . . ? C27 N26 C30 110.7(9) . . ? C27 N26 P2 124.4(8) . . ? C30 N26 P2 122.6(7) . . ? N26 C27 C28 102.5(11) . . ? C29 C28 C27 110.8(13) . . ? C28 C29 C30 107.2(14) . . ? N26 C30 C29 104.7(13) . . ? Cl3 C40 Cl4 125.5(23) . . ? 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 P2 Pt1 P1 N1 105.4(4) . . . . ? Cl2 Pt1 P1 N1 -58.1(10) . . . . ? Cl1 Pt1 P1 N1 -75.4(4) . . . . ? P2 Pt1 P1 N11 -135.3(4) . . . . ? Cl2 Pt1 P1 N11 61.2(10) . . . . ? Cl1 Pt1 P1 N11 44.0(4) . . . . ? P2 Pt1 P1 N6 -16.0(6) . . . . ? Cl2 Pt1 P1 N6 -179.5(9) . . . . ? Cl1 Pt1 P1 N6 163.2(6) . . . . ? P1 Pt1 P2 N16 -63.4(4) . . . . ? Cl2 Pt1 P2 N16 114.0(4) . . . . ? Cl1 Pt1 P2 N16 126.0(15) . . . . ? P1 Pt1 P2 N21 176.1(5) . . . . ? Cl2 Pt1 P2 N21 -6.4(5) . . . . ? Cl1 Pt1 P2 N21 5.6(17) . . . . ? P1 Pt1 P2 N26 60.0(4) . . . . ? Cl2 Pt1 P2 N26 -122.5(4) . . . . ? Cl1 Pt1 P2 N26 -110.5(16) . . . . ? N11 P1 N1 C2 71.7(11) . . . . ? N6 P1 N1 C2 -34.9(12) . . . . ? Pt1 P1 N1 C2 -167.7(9) . . . . ? N11 P1 N1 C5 -97.1(11) . . . . ? N6 P1 N1 C5 156.3(11) . . . . ? Pt1 P1 N1 C5 23.6(11) . . . . ? C5 N1 C2 C3 -25.5(15) . . . . ? P1 N1 C2 C3 164.0(12) . . . . ? N1 C2 C3 C4 24.2(21) . . . . ? C2 C3 C4 C5 -14.6(27) . . . . ? C3 C4 C5 N1 -1.0(25) . . . . ? C2 N1 C5 C4 16.4(17) . . . . ? P1 N1 C5 C4 -173.2(14) . . . . ? N1 P1 N6 C7 -57.5(13) . . . . ? N11 P1 N6 C7 -169.9(12) . . . . ? Pt1 P1 N6 C7 66.3(14) . . . . ? N1 P1 N6 C10 105.9(13) . . . . ? N11 P1 N6 C10 -6.4(14) . . . . ? Pt1 P1 N6 C10 -130.3(11) . . . . ? C10 N6 C7 C8 -11.3(15) . . . . ? P1 N6 C7 C8 153.5(11) . . . . ? N6 C7 C8 C9 31.6(14) . . . . ? C7 C8 C9 C10 -41.1(16) . . . . ? C7 N6 C10 C9 -13.0(17) . . . . ? P1 N6 C10 C9 -178.4(12) . . . . ? C8 C9 C10 N6 34.2(17) . . . . ? N1 P1 N11 C15 -0.3(11) . . . . ? N6 P1 N11 C15 108.1(11) . . . . ? Pt1 P1 N11 C15 -119.8(10) . . . . ? N1 P1 N11 C12 162.1(9) . . . . ? N6 P1 N11 C12 -89.5(10) . . . . ? Pt1 P1 N11 C12 42.5(10) . . . . ? C15 N11 C12 C13 -5.4(18) . . . . ? P1 N11 C12 C13 -169.8(14) . . . . ? N11 C12 C13 C14 11.8(25) . . . . ? C12 C13 C14 C15 -14.1(28) . . . . ? C12 N11 C15 C14 -2.7(17) . . . . ? P1 N11 C15 C14 161.9(11) . . . . ? C13 C14 C15 N11 10.4(23) . . . . ? N21 P2 N16 C20 -51.2(11) . . . . ? N26 P2 N16 C20 55.3(11) . . . . ? Pt1 P2 N16 C20 179.8(9) . . . . ? N21 P2 N16 C17 109.4(12) . . . . ? N26 P2 N16 C17 -144.2(11) . . . . ? Pt1 P2 N16 C17 -19.6(12) . . . . ? C20 N16 C17 C18 -11.9(18) . . . . ? P2 N16 C17 C18 -174.8(12) . . . . ? N16 C17 C18 C19 29.5(20) . . . . ? C17 C18 C19 C20 -37.5(20) . . . . ? C18 C19 C20 N16 29.0(18) . . . . ? C17 N16 C20 C19 -9.6(16) . . . . ? P2 N16 C20 C19 153.2(11) . . . . ? N16 P2 N21 C25 161.6(10) . . . . ? N26 P2 N21 C25 48.0(12) . . . . ? Pt1 P2 N21 C25 -74.2(11) . . . . ? N16 P2 N21 C22 -44.4(11) . . . . ? N26 P2 N21 C22 -158.0(10) . . . . ? Pt1 P2 N21 C22 79.8(11) . . . . ? C25 N21 C22 C23 -4.7(16) . . . . ? P2 N21 C22 C23 -162.5(12) . . . . ? N21 C22 C23 C24 -7.7(20) . . . . ? C22 C23 C24 C25 17.4(24) . . . . ? C23 C24 C25 N21 -20.0(21) . . . . ? C22 N21 C25 C24 14.7(16) . . . . ? P2 N21 C25 C24 170.8(11) . . . . ? N16 P2 N26 C27 -56.3(11) . . . . ? N21 P2 N26 C27 52.5(11) . . . . ? Pt1 P2 N26 C27 179.4(9) . . . . ? N16 P2 N26 C30 142.6(13) . . . . ? N21 P2 N26 C30 -108.5(14) . . . . ? Pt1 P2 N26 C30 18.4(14) . . . . ? C30 N26 C27 C28 -3.3(17) . . . . ? P2 N26 C27 C28 -166.3(10) . . . . ? N26 C27 C28 C29 15.7(20) . . . . ? C27 C28 C29 C30 -21.4(25) . . . . ? C27 N26 C30 C29 -8.5(20) . . . . ? P2 N26 C30 C29 154.8(12) . . . . ? C28 C29 C30 N26 18.4(24) . . . . ? _refine_diff_density_max 1.742 _refine_diff_density_min -1.427 _refine_diff_density_rms 0.154 #end data_8 _audit_creation_method SHELXL _chemical_name_systematic ; - ; _chemical_name_common - _chemical_formula_moiety 'C18 H38 Cl2 N4 P2 Pt' _chemical_formula_structural 'C18 H38 Cl2 N4 P2 Pt' _chemical_formula_analytical 'C18 H38 Cl2 N4 P2 Pt' _chemical_formula_sum 'C18 H38 Cl2 N4 P2 Pt' _chemical_formula_weight 638.45 _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 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 8.5068(3) _cell_length_b 26.2926(10) _cell_length_c 21.6988(8) _cell_angle_alpha 90.00 _cell_angle_beta 90.2720(10) _cell_angle_gamma 90.00 _cell_volume 4853.2(3) _cell_formula_units_Z 8 _cell_measurement_temperature 566(2) _cell_measurement_reflns_used 94 _cell_measurement_theta_min 12 _cell_measurement_theta_max 168 _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max .23 _exptl_crystal_size_mid .15 _exptl_crystal_size_min .1 _exptl_crystal_density_meas - _exptl_crystal_density_diffrn 1.748 _exptl_crystal_density_method - _exptl_crystal_F_000 2528 _exptl_absorpt_coefficient_mu 6.146 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.399993 _exptl_absorpt_correction_T_max 0.693256 _exptl_special_details ; - ; _diffrn_ambient_temperature 566(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 21101 _diffrn_reflns_av_R_equivalents 0.0520 _diffrn_reflns_av_sigmaI/netI 0.0586 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 1.55 _diffrn_reflns_theta_max 23.28 _reflns_number_total 6979 _reflns_number_observed 5084 _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 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^)+(0.0527P)^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 0.00033(5) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 6929 _refine_ls_number_parameters 488 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0635 _refine_ls_R_factor_obs 0.0366 _refine_ls_wR_factor_all 0.1027 _refine_ls_wR_factor_obs 0.0774 _refine_ls_goodness_of_fit_all 0.885 _refine_ls_goodness_of_fit_obs 0.929 _refine_ls_restrained_S_all 1.041 _refine_ls_restrained_S_obs 0.929 _refine_ls_shift/esd_max 0.022 _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 0.02202(3) 0.025102(12) 0.154585(14) 0.03786(12) Uani 1 d . . Cl1 Cl 0.2536(3) 0.06786(9) 0.12301(13) 0.0686(7) Uani 1 d . . Cl2 Cl 0.1939(3) -0.03641(9) 0.20011(11) 0.0606(6) Uani 1 d . . P1 P -0.1271(2) 0.08988(8) 0.12359(9) 0.0383(5) Uani 1 d . . N1 N -0.2448(8) 0.0760(2) 0.0652(3) 0.043(2) Uani 1 d . . C2 C -0.3746(10) 0.1095(3) 0.0460(4) 0.053(2) Uani 1 d . . H2A H -0.3361(10) 0.1431(3) 0.0355(4) 0.064 Uiso 1 calc R . H2B H -0.4521(10) 0.1126(3) 0.0784(4) 0.064 Uiso 1 calc R . C3 C -0.4429(12) 0.0833(4) -0.0095(4) 0.073(3) Uani 1 d . . H3A H -0.5211(12) 0.0584(4) 0.0024(4) 0.087 Uiso 1 calc R . H3B H -0.4909(12) 0.1077(4) -0.0374(4) 0.087 Uiso 1 calc R . C4 C -0.3063(13) 0.0587(5) -0.0380(5) 0.085(3) Uani 1 d . . H4A H -0.2504(13) 0.0826(5) -0.0640(5) 0.102 Uiso 1 calc R . H4B H -0.3394(13) 0.0300(5) -0.0630(5) 0.102 Uiso 1 calc R . C5 C -0.2033(10) 0.0412(3) 0.0141(4) 0.053(2) Uani 1 d . . H5A H -0.2255(10) 0.0061(3) 0.0248(4) 0.063 Uiso 1 calc R . H5B H -0.0930(10) 0.0443(3) 0.0035(4) 0.063 Uiso 1 calc R . N6 N -0.0403(8) 0.1443(2) 0.1024(3) 0.047(2) Uani 1 d . . C7 C 0.0291(11) 0.1492(3) 0.0403(4) 0.058(2) Uani 1 d . . H7A H -0.0510(11) 0.1573(3) 0.0098(4) 0.070 Uiso 1 calc R . H7B H 0.0819(11) 0.1181(3) 0.0283(4) 0.070 Uiso 1 calc R . C8 C 0.1452(16) 0.1926(4) 0.0470(5) 0.099(4) Uani 1 d . . H8A H 0.2520(16) 0.1797(4) 0.0468(5) 0.119 Uiso 1 calc R . H8B H 0.1332(16) 0.2164(4) 0.0132(5) 0.119 Uiso 1 calc R . C9 C 0.1124(16) 0.2175(4) 0.1053(6) 0.113(5) Uani 1 d . . H9A H 0.0389(16) 0.2453(4) 0.0992(6) 0.135 Uiso 1 calc R . H9B H 0.2084(16) 0.2310(4) 0.1232(6) 0.135 Uiso 1 calc R . C10 C 0.0423(12) 0.1776(3) 0.1469(4) 0.062(3) Uani 1 d . . H10A H 0.1233(12) 0.1591(3) 0.1692(4) 0.074 Uiso 1 calc R . H10B H -0.0303(12) 0.1925(3) 0.1761(4) 0.074 Uiso 1 calc R . C11 C -0.2494(10) 0.1126(3) 0.1853(4) 0.051(2) Uani 1 d . . H11A H -0.1849(10) 0.1210(3) 0.2203(4) 0.077 Uiso 1 calc R . H11B H -0.3232(10) 0.0866(3) 0.1965(4) 0.077 Uiso 1 calc R . H11C H -0.3054(10) 0.1424(3) 0.1719(4) 0.077 Uiso 1 calc R . P2 P -0.1857(2) -0.02131(8) 0.18588(9) 0.0379(5) Uani 1 d . . N11 N -0.2240(8) -0.0093(2) 0.2586(3) 0.047(2) Uani 1 d . . C12 C -0.1101(11) 0.0127(4) 0.3025(4) 0.068(3) Uani 1 d . . H12A H -0.0203(11) -0.0097(4) 0.3079(4) 0.081 Uiso 1 calc R . H12B H -0.0732(11) 0.0456(4) 0.2882(4) 0.081 Uiso 1 calc R . C13 C -0.1948(16) 0.0179(7) 0.3590(5) 0.139(7) Uani 1 d . . H13A H -0.1307(16) 0.0056(7) 0.3930(5) 0.167 Uiso 1 calc R . H13B H -0.2183(16) 0.0534(7) 0.3663(5) 0.167 Uiso 1 calc R . C14 C -0.3376(15) -0.0106(5) 0.3561(5) 0.103(4) Uani 1 d . . H14A H -0.4240(15) 0.0099(5) 0.3713(5) 0.124 Uiso 1 calc R . H14B H -0.3290(15) -0.0408(5) 0.3815(5) 0.124 Uiso 1 calc R . C15 C -0.3676(11) -0.0251(4) 0.2914(4) 0.065(3) Uani 1 d . . H15A H -0.4593(11) -0.0077(4) 0.2752(4) 0.078 Uiso 1 calc R . H15B H -0.3836(11) -0.0615(4) 0.2878(4) 0.078 Uiso 1 calc R . N16 N -0.1632(7) -0.0844(2) 0.1792(3) 0.042(2) Uani 1 d . . C17 C -0.1246(11) -0.1052(3) 0.1185(4) 0.063(3) Uani 1 d . . H17A H -0.0520(11) -0.0832(3) 0.0970(4) 0.075 Uiso 1 calc R . H17B H -0.2187(11) -0.1094(3) 0.0936(4) 0.075 Uiso 1 calc R . C18 C -0.0505(18) -0.1556(5) 0.1320(6) 0.118(5) Uani 1 d . . H18A H -0.1111(18) -0.1824(5) 0.1123(6) 0.142 Uiso 1 calc R . H18B H 0.0550(18) -0.1564(5) 0.1153(6) 0.142 Uiso 1 calc R . C19 C -0.0446(16) -0.1639(4) 0.1951(6) 0.102(4) Uani 1 d . . H19A H 0.0628(16) -0.1710(4) 0.2077(6) 0.123 Uiso 1 calc R . H19B H -0.1086(16) -0.1932(4) 0.2055(6) 0.123 Uiso 1 calc R . C20 C -0.1042(11) -0.1178(3) 0.2290(4) 0.059(2) Uani 1 d . . H20A H -0.1878(11) -0.1269(3) 0.2571(4) 0.071 Uiso 1 calc R . H20B H -0.0201(11) -0.1014(3) 0.2519(4) 0.071 Uiso 1 calc R . C21 C -0.3722(9) -0.0136(3) 0.1473(4) 0.050(2) Uani 1 d . . H21A H -0.3598(9) -0.0201(3) 0.1041(4) 0.076 Uiso 1 calc R . H21B H -0.4095(9) 0.0205(3) 0.1532(4) 0.076 Uiso 1 calc R . H21C H -0.4468(9) -0.0372(3) 0.1642(4) 0.076 Uiso 1 calc R . Pt2 Pt -0.42281(4) -0.318819(12) 0.07067(2) 0.04442(12) Uani 1 d . . Cl3 Cl -0.2961(3) -0.29383(12) 0.16364(13) 0.0909(9) Uani 1 d . . Cl4 Cl -0.1704(3) -0.34133(14) 0.03377(14) 0.1009(11) Uani 1 d . . P3 P -0.6501(2) -0.29034(8) 0.10994(10) 0.0415(5) Uani 1 d . . N31 N -0.6376(8) -0.2385(2) 0.1558(3) 0.048(2) Uani 1 d . . C32 C -0.6206(12) -0.2414(4) 0.2227(4) 0.069(3) Uani 1 d . . H32A H -0.7205(12) -0.2491(4) 0.2419(4) 0.082 Uiso 1 calc R . H32B H -0.5449(12) -0.2673(4) 0.2342(4) 0.082 Uiso 1 calc R . C33 C -0.5658(22) -0.1913(5) 0.2409(7) 0.153(7) Uani 1 d . . H33A H -0.6420(22) -0.1758(5) 0.2682(7) 0.183 Uiso 1 calc R . H33B H -0.4673(22) -0.1946(5) 0.2632(7) 0.183 Uiso 1 calc R . C34 C -0.5438(14) -0.1596(4) 0.1885(7) 0.096(4) Uani 1 d . . H34A H -0.4382(14) -0.1456(4) 0.1885(7) 0.116 Uiso 1 calc R . H34B H -0.6183(14) -0.1317(4) 0.1889(7) 0.116 Uiso 1 calc R . C35 C -0.5692(12) -0.1920(3) 0.1329(5) 0.070(3) Uani 1 d . . H35A H -0.6398(12) -0.1754(3) 0.1040(5) 0.084 Uiso 1 calc R . H35B H -0.4703(12) -0.1988(3) 0.1125(5) 0.084 Uiso 1 calc R . N36 N -0.7348(7) -0.3345(2) 0.1506(3) 0.047(2) Uani 1 d . . C37 C -0.6575(10) -0.3800(3) 0.1763(4) 0.054(2) Uani 1 d . . H37A H -0.5951(10) -0.3716(3) 0.2125(4) 0.065 Uiso 1 calc R . H37B H -0.5908(10) -0.3963(3) 0.1461(4) 0.065 Uiso 1 calc R . C38 C -0.7936(13) -0.4130(4) 0.1927(5) 0.088(4) Uani 1 d . . H38A H -0.7661(13) -0.4360(4) 0.2259(5) 0.106 Uiso 1 calc R . H38B H -0.8278(13) -0.4328(4) 0.1574(5) 0.106 Uiso 1 calc R . C39 C -0.9180(13) -0.3772(5) 0.2122(6) 0.102(4) Uani 1 d . . H39A H -1.0211(13) -0.3918(5) 0.2051(6) 0.123 Uiso 1 calc R . H39B H -0.9073(13) -0.3693(5) 0.2557(6) 0.123 Uiso 1 calc R . C40 C -0.8974(10) -0.3307(4) 0.1745(5) 0.064(3) Uani 1 d . . H40A H -0.9099(10) -0.3004(4) 0.1995(5) 0.077 Uiso 1 calc R . H40B H -0.9731(10) -0.3297(4) 0.1410(5) 0.077 Uiso 1 calc R . C41 C -0.7998(10) -0.2678(3) 0.0568(4) 0.057(2) Uani 1 d . . H41A H -0.7567(10) -0.2416(3) 0.0312(4) 0.085 Uiso 1 calc R . H41B H -0.8870(10) -0.2545(3) 0.0796(4) 0.085 Uiso 1 calc R . H41C H -0.8350(10) -0.2955(3) 0.0314(4) 0.085 Uiso 1 calc R . P4 P -0.5364(3) -0.35179(8) -0.01304(10) 0.0461(6) Uani 1 d . . N41 N -0.4308(9) -0.3915(2) -0.0581(3) 0.053(2) Uani 1 d . . C42 C -0.3230(11) -0.3712(4) -0.1045(4) 0.065(3) Uani 1 d . . H42A H -0.3797(11) -0.3617(4) -0.1416(4) 0.078 Uiso 1 calc R . H42B H -0.2679(11) -0.3416(4) -0.0888(4) 0.078 Uiso 1 calc R . C43 C -0.2107(16) -0.4133(5) -0.1173(6) 0.116(5) Uani 1 d . . H43A H -0.2202(16) -0.4239(5) -0.1600(6) 0.140 Uiso 1 calc R . H43B H -0.1038(16) -0.4018(5) -0.1102(6) 0.140 Uiso 1 calc R . C44 C -0.2461(18) -0.4554(5) -0.0771(7) 0.133(6) Uani 1 d . . H44A H -0.1529(18) -0.4651(5) -0.0540(7) 0.160 Uiso 1 calc R . H44B H -0.2807(18) -0.4845(5) -0.1012(7) 0.160 Uiso 1 calc R . C45 C -0.3721(13) -0.4395(4) -0.0343(5) 0.075(3) Uani 1 d . . H45A H -0.4554(13) -0.4647(4) -0.0332(5) 0.090 Uiso 1 calc R . H45B H -0.3305(13) -0.4352(4) 0.0071(5) 0.090 Uiso 1 calc R . N46 N -0.6010(9) -0.3077(3) -0.0611(3) 0.055(2) Uani 1 d . . C47 C -0.5186(13) -0.2584(3) -0.0675(5) 0.072(3) Uani 1 d . . H47A H -0.4065(13) -0.2623(3) -0.0606(5) 0.086 Uiso 1 calc R . H47B H -0.5590(13) -0.2336(3) -0.0384(5) 0.086 Uiso 1 calc R . C48 C -0.5516(23) -0.2423(6) -0.1319(7) 0.151(7) Uani 1 d . . H48A H -0.5763(23) -0.2063(6) -0.1333(7) 0.181 Uiso 1 calc R . H48B H -0.4605(23) -0.2484(6) -0.1576(7) 0.181 Uiso 1 calc R . C49 C -0.6786(20) -0.2707(6) -0.1529(7) 0.133(6) Uani 1 d . . H49A H -0.6621(20) -0.2800(6) -0.1956(7) 0.160 Uiso 1 calc R . H49B H -0.7734(20) -0.2503(6) -0.1507(7) 0.160 Uiso 1 calc R . C50 C -0.6989(13) -0.3173(4) -0.1155(4) 0.078(3) Uani 1 d . . H50A H -0.8081(13) -0.3220(4) -0.1042(4) 0.094 Uiso 1 calc R . H50B H -0.6629(13) -0.3471(4) -0.1377(4) 0.094 Uiso 1 calc R . C51 C -0.7045(11) -0.3921(3) 0.0045(5) 0.072(3) Uani 1 d . . H51A H -0.6726(11) -0.4185(3) 0.0326(5) 0.108 Uiso 1 calc R . H51B H -0.7438(11) -0.4071(3) -0.0328(5) 0.108 Uiso 1 calc R . H51C H -0.7856(11) -0.3720(3) 0.0231(5) 0.108 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 0.0293(2) 0.0452(2) 0.0391(2) 0.00287(15) 0.00200(13) -0.00109(14) Cl1 0.0358(13) 0.0664(15) 0.104(2) 0.0157(14) 0.0171(12) -0.0044(11) Cl2 0.0396(13) 0.0667(15) 0.076(2) 0.0137(12) -0.0063(11) 0.0068(11) P1 0.0374(12) 0.0428(12) 0.0347(12) 0.0014(9) 0.0021(9) -0.0004(9) N1 0.045(4) 0.042(4) 0.042(4) -0.006(3) -0.004(3) 0.001(3) C2 0.041(5) 0.062(6) 0.057(6) 0.008(5) -0.008(4) 0.009(4) C3 0.067(7) 0.086(8) 0.065(7) -0.011(6) -0.020(5) 0.012(6) C4 0.083(9) 0.116(9) 0.056(7) -0.018(6) -0.013(6) 0.018(7) C5 0.050(6) 0.070(6) 0.038(5) -0.003(4) 0.005(4) 0.006(4) N6 0.054(5) 0.042(4) 0.044(4) -0.004(3) -0.003(3) -0.002(3) C7 0.066(7) 0.064(6) 0.045(6) 0.015(4) 0.003(5) -0.013(5) C8 0.127(11) 0.095(9) 0.076(8) 0.004(7) 0.006(7) -0.062(8) C9 0.122(11) 0.076(8) 0.141(12) -0.036(8) 0.051(9) -0.067(8) C10 0.073(7) 0.046(5) 0.067(7) -0.014(5) -0.008(5) -0.007(5) C11 0.055(6) 0.057(6) 0.042(5) 0.000(4) 0.007(4) 0.010(4) P2 0.0343(12) 0.0445(12) 0.0350(12) 0.0028(9) 0.0006(9) -0.0037(9) N11 0.038(4) 0.064(5) 0.040(4) -0.003(3) 0.009(3) -0.013(3) C12 0.050(6) 0.107(8) 0.046(6) 0.001(5) -0.006(5) -0.010(5) C13 0.090(10) 0.289(20) 0.038(7) -0.047(9) 0.018(6) -0.044(12) C14 0.093(10) 0.166(12) 0.051(7) 0.005(7) 0.019(6) -0.016(9) C15 0.046(6) 0.090(7) 0.059(6) 0.006(5) 0.017(5) -0.013(5) N16 0.044(4) 0.042(4) 0.040(4) 0.006(3) -0.002(3) -0.001(3) C17 0.068(7) 0.057(6) 0.063(7) -0.012(5) 0.002(5) -0.003(5) C18 0.171(15) 0.081(9) 0.103(11) -0.006(8) 0.047(10) 0.040(9) C19 0.116(11) 0.073(8) 0.118(11) 0.011(8) -0.002(9) 0.042(7) C20 0.052(6) 0.069(7) 0.056(6) 0.015(5) 0.001(4) 0.001(5) C21 0.035(5) 0.062(6) 0.055(6) 0.017(4) -0.006(4) -0.005(4) Pt2 0.0299(2) 0.0551(2) 0.0483(2) -0.0040(2) -0.00189(14) -0.00101(15) Cl3 0.051(2) 0.139(3) 0.083(2) -0.044(2) -0.0288(13) 0.026(2) Cl4 0.0352(15) 0.167(3) 0.101(2) -0.056(2) 0.0050(14) 0.000(2) P3 0.0337(12) 0.0458(13) 0.0449(13) 0.0009(10) -0.0049(9) 0.0048(10) N31 0.051(5) 0.042(4) 0.051(5) 0.000(3) 0.002(3) 0.001(3) C32 0.075(8) 0.064(7) 0.066(7) -0.009(5) -0.002(5) 0.006(5) C33 0.253(22) 0.093(11) 0.111(12) -0.026(9) -0.073(13) -0.036(12) C34 0.079(9) 0.066(8) 0.144(12) -0.011(8) -0.018(8) -0.005(6) C35 0.060(7) 0.047(6) 0.102(9) 0.011(6) -0.013(6) -0.009(5) N36 0.033(4) 0.042(4) 0.066(5) 0.007(3) -0.001(3) 0.005(3) C37 0.039(5) 0.063(6) 0.060(6) 0.002(5) 0.007(4) 0.006(4) C38 0.079(9) 0.092(8) 0.094(9) 0.030(7) 0.024(7) -0.013(7) C39 0.058(8) 0.125(10) 0.124(11) 0.033(9) 0.037(7) -0.011(7) C40 0.037(5) 0.076(7) 0.080(7) 0.002(6) 0.014(5) 0.002(5) C41 0.050(6) 0.067(6) 0.054(6) 0.014(5) -0.008(4) 0.017(5) P4 0.0410(13) 0.0485(14) 0.0487(14) -0.0031(10) 0.0011(10) -0.0066(10) N41 0.063(5) 0.046(4) 0.051(5) 0.004(3) 0.009(4) 0.004(4) C42 0.062(7) 0.073(6) 0.059(6) 0.000(5) 0.015(5) 0.022(5) C43 0.121(12) 0.099(10) 0.130(12) 0.028(9) 0.055(9) 0.044(8) C44 0.138(14) 0.107(11) 0.156(14) 0.001(10) 0.058(11) 0.064(10) C45 0.087(8) 0.054(6) 0.085(8) 0.003(5) 0.012(6) -0.001(6) N46 0.058(5) 0.055(5) 0.053(5) -0.010(4) -0.009(4) 0.004(4) C47 0.100(9) 0.051(6) 0.066(7) 0.003(5) 0.016(6) -0.003(6) C48 0.221(22) 0.120(13) 0.111(13) 0.050(10) -0.053(13) -0.031(13) C49 0.138(15) 0.150(14) 0.112(12) 0.049(11) -0.043(10) 0.013(11) C50 0.064(7) 0.114(9) 0.056(7) -0.018(6) -0.026(5) 0.011(6) C51 0.070(7) 0.065(7) 0.081(7) -0.020(5) 0.008(6) -0.024(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 P1 2.226(2) . ? Pt1 P2 2.255(2) . ? Pt1 Cl1 2.372(2) . ? Pt1 Cl2 2.391(2) . ? P1 N1 1.652(7) . ? P1 N6 1.675(7) . ? P1 C11 1.801(7) . ? N1 C2 1.470(10) . ? N1 C5 1.482(9) . ? C2 C3 1.502(12) . ? C3 C4 1.469(13) . ? C4 C5 1.499(12) . ? N6 C7 1.478(10) . ? N6 C10 1.480(10) . ? C7 C8 1.515(12) . ? C8 C9 1.452(14) . ? C9 C10 1.510(13) . ? P2 N11 1.643(6) . ? P2 N16 1.676(6) . ? P2 C21 1.802(8) . ? N11 C15 1.477(10) . ? N11 C12 1.475(11) . ? C12 C13 1.431(12) . ? C13 C14 1.43(2) . ? C14 C15 1.475(14) . ? N16 C17 1.464(10) . ? N16 C20 1.478(10) . ? C17 C18 1.495(14) . ? C18 C19 1.39(2) . ? C19 C20 1.506(13) . ? Pt2 P4 2.229(2) . ? Pt2 P3 2.246(2) . ? Pt2 Cl4 2.370(2) . ? Pt2 Cl3 2.375(3) . ? P3 N36 1.627(7) . ? P3 N31 1.690(7) . ? P3 C41 1.813(8) . ? N31 C35 1.443(10) . ? N31 C32 1.459(11) . ? C32 C33 1.450(14) . ? C33 C34 1.42(2) . ? C34 C35 1.491(14) . ? N36 C37 1.476(10) . ? N36 C40 1.483(10) . ? C37 C38 1.490(12) . ? C38 C39 1.480(14) . ? C39 C40 1.481(13) . ? P4 N46 1.651(7) . ? P4 N41 1.692(7) . ? P4 C51 1.821(9) . ? N41 C45 1.453(11) . ? N41 C42 1.465(10) . ? C42 C43 1.489(13) . ? C43 C44 1.44(2) . ? C44 C45 1.482(13) . ? N46 C50 1.464(11) . ? N46 C47 1.482(11) . ? C47 C48 1.49(2) . ? C48 C49 1.39(2) . ? C49 C50 1.48(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 P1 Pt1 P2 93.37(7) . . ? P1 Pt1 Cl1 91.32(8) . . ? P2 Pt1 Cl1 175.25(8) . . ? P1 Pt1 Cl2 171.52(8) . . ? P2 Pt1 Cl2 89.32(8) . . ? Cl1 Pt1 Cl2 86.14(8) . . ? N1 P1 N6 104.1(3) . . ? N1 P1 C11 107.0(4) . . ? N6 P1 C11 100.3(4) . . ? N1 P1 Pt1 113.9(2) . . ? N6 P1 Pt1 119.0(3) . . ? C11 P1 Pt1 111.1(3) . . ? C2 N1 C5 109.8(6) . . ? C2 N1 P1 122.4(5) . . ? C5 N1 P1 124.4(5) . . ? N1 C2 C3 103.9(7) . . ? C4 C3 C2 103.6(8) . . ? C3 C4 C5 106.2(8) . . ? N1 C5 C4 103.5(7) . . ? C7 N6 C10 110.7(7) . . ? C7 N6 P1 120.3(5) . . ? C10 N6 P1 122.3(6) . . ? N6 C7 C8 104.0(7) . . ? C9 C8 C7 107.2(9) . . ? C8 C9 C10 106.6(8) . . ? N6 C10 C9 102.0(8) . . ? N11 P2 N16 107.3(3) . . ? N11 P2 C21 104.2(4) . . ? N16 P2 C21 99.9(4) . . ? N11 P2 Pt1 110.1(2) . . ? N16 P2 Pt1 114.8(2) . . ? C21 P2 Pt1 119.3(3) . . ? C15 N11 C12 109.9(7) . . ? C15 N11 P2 125.3(6) . . ? C12 N11 P2 124.3(5) . . ? C13 C12 N11 105.0(8) . . ? C14 C13 C12 110.2(10) . . ? C13 C14 C15 108.7(9) . . ? C14 C15 N11 104.3(8) . . ? C17 N16 C20 110.9(6) . . ? C17 N16 P2 118.3(5) . . ? C20 N16 P2 124.3(6) . . ? N16 C17 C18 104.6(8) . . ? C19 C18 C17 110.2(9) . . ? C18 C19 C20 110.1(9) . . ? N16 C20 C19 103.7(8) . . ? P4 Pt2 P3 93.90(8) . . ? P4 Pt2 Cl4 91.00(9) . . ? P3 Pt2 Cl4 174.07(9) . . ? P4 Pt2 Cl3 173.17(10) . . ? P3 Pt2 Cl3 88.49(8) . . ? Cl4 Pt2 Cl3 87.01(9) . . ? N36 P3 N31 106.4(3) . . ? N36 P3 C41 105.4(4) . . ? N31 P3 C41 98.8(4) . . ? N36 P3 Pt2 110.6(2) . . ? N31 P3 Pt2 116.1(3) . . ? C41 P3 Pt2 118.1(3) . . ? C35 N31 C32 110.3(7) . . ? C35 N31 P3 120.3(6) . . ? C32 N31 P3 123.4(6) . . ? C33 C32 N31 104.8(9) . . ? C34 C33 C32 110.9(11) . . ? C33 C34 C35 107.0(10) . . ? N31 C35 C34 105.3(9) . . ? C37 N36 C40 109.7(6) . . ? C37 N36 P3 125.9(5) . . ? C40 N36 P3 123.9(6) . . ? N36 C37 C38 102.5(7) . . ? C37 C38 C39 104.8(9) . . ? C40 C39 C38 106.3(8) . . ? C39 C40 N36 104.5(8) . . ? N46 P4 N41 104.1(4) . . ? N46 P4 C51 106.3(5) . . ? N41 P4 C51 100.5(4) . . ? N46 P4 Pt2 112.5(3) . . ? N41 P4 Pt2 118.8(3) . . ? C51 P4 Pt2 113.2(3) . . ? C45 N41 C42 110.3(7) . . ? C45 N41 P4 120.9(6) . . ? C42 N41 P4 120.6(6) . . ? C43 C42 N41 105.2(8) . . ? C44 C43 C42 108.8(9) . . ? C43 C44 C45 108.5(10) . . ? N41 C45 C44 105.7(9) . . ? C50 N46 C47 110.0(8) . . ? C50 N46 P4 125.2(7) . . ? C47 N46 P4 121.2(6) . . ? N46 C47 C48 104.4(10) . . ? C49 C48 C47 107.4(13) . . ? C48 C49 C50 111.0(12) . . ? N46 C50 C49 103.5(10) . . ? 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 P2 Pt1 P1 N1 -65.0(3) . . . . ? Cl1 Pt1 P1 N1 114.2(3) . . . . ? Cl2 Pt1 P1 N1 -173.3(5) . . . . ? P2 Pt1 P1 N6 171.5(3) . . . . ? Cl1 Pt1 P1 N6 -9.2(3) . . . . ? Cl2 Pt1 P1 N6 63.2(6) . . . . ? P2 Pt1 P1 C11 55.9(3) . . . . ? Cl1 Pt1 P1 C11 -124.8(3) . . . . ? Cl2 Pt1 P1 C11 -52.4(6) . . . . ? N6 P1 N1 C2 -61.7(7) . . . . ? C11 P1 N1 C2 43.9(7) . . . . ? Pt1 P1 N1 C2 167.1(5) . . . . ? N6 P1 N1 C5 95.5(6) . . . . ? C11 P1 N1 C5 -158.9(6) . . . . ? Pt1 P1 N1 C5 -35.7(7) . . . . ? C5 N1 C2 C3 17.3(9) . . . . ? P1 N1 C2 C3 177.4(6) . . . . ? N1 C2 C3 C4 -32.5(10) . . . . ? C2 C3 C4 C5 36.3(11) . . . . ? C2 N1 C5 C4 4.4(10) . . . . ? P1 N1 C5 C4 -155.2(7) . . . . ? C3 C4 C5 N1 -25.3(11) . . . . ? N1 P1 N6 C7 -48.1(7) . . . . ? C11 P1 N6 C7 -158.8(7) . . . . ? Pt1 P1 N6 C7 80.0(7) . . . . ? N1 P1 N6 C10 163.4(6) . . . . ? C11 P1 N6 C10 52.8(7) . . . . ? Pt1 P1 N6 C10 -68.4(7) . . . . ? C10 N6 C7 C8 -7.2(10) . . . . ? P1 N6 C7 C8 -159.0(8) . . . . ? N6 C7 C8 C9 -12.9(13) . . . . ? C7 C8 C9 C10 28.0(15) . . . . ? C7 N6 C10 C9 23.3(10) . . . . ? P1 N6 C10 C9 174.5(7) . . . . ? C8 C9 C10 N6 -31.1(13) . . . . ? P1 Pt1 P2 N11 -90.4(3) . . . . ? Cl1 Pt1 P2 N11 98.7(11) . . . . ? Cl2 Pt1 P2 N11 81.5(3) . . . . ? P1 Pt1 P2 N16 148.4(3) . . . . ? Cl1 Pt1 P2 N16 -22.5(11) . . . . ? Cl2 Pt1 P2 N16 -39.7(3) . . . . ? P1 Pt1 P2 C21 30.0(3) . . . . ? Cl1 Pt1 P2 C21 -140.9(10) . . . . ? Cl2 Pt1 P2 C21 -158.1(3) . . . . ? N16 P2 N11 C15 -66.2(8) . . . . ? C21 P2 N11 C15 39.1(8) . . . . ? Pt1 P2 N11 C15 168.2(6) . . . . ? N16 P2 N11 C12 104.8(7) . . . . ? C21 P2 N11 C12 -149.9(7) . . . . ? Pt1 P2 N11 C12 -20.8(8) . . . . ? C15 N11 C12 C13 -9.5(12) . . . . ? P2 N11 C12 C13 178.3(9) . . . . ? N11 C12 C13 C14 14.1(16) . . . . ? C12 C13 C14 C15 -13.6(18) . . . . ? C13 C14 C15 N11 7.0(15) . . . . ? C12 N11 C15 C14 1.7(11) . . . . ? P2 N11 C15 C14 173.7(8) . . . . ? N11 P2 N16 C17 -178.8(6) . . . . ? C21 P2 N16 C17 72.8(7) . . . . ? Pt1 P2 N16 C17 -56.0(7) . . . . ? N11 P2 N16 C20 -29.6(7) . . . . ? C21 P2 N16 C20 -138.0(7) . . . . ? Pt1 P2 N16 C20 93.1(6) . . . . ? C20 N16 C17 C18 4.7(11) . . . . ? P2 N16 C17 C18 157.8(8) . . . . ? N16 C17 C18 C19 -0.3(15) . . . . ? C17 C18 C19 C20 -4.0(17) . . . . ? C17 N16 C20 C19 -6.9(10) . . . . ? P2 N16 C20 C19 -158.0(7) . . . . ? C18 C19 C20 N16 6.6(14) . . . . ? P4 Pt2 P3 N36 86.9(3) . . . . ? Cl4 Pt2 P3 N36 -127.4(10) . . . . ? Cl3 Pt2 P3 N36 -86.7(3) . . . . ? P4 Pt2 P3 N31 -151.8(3) . . . . ? Cl4 Pt2 P3 N31 -6.0(11) . . . . ? Cl3 Pt2 P3 N31 34.6(3) . . . . ? P4 Pt2 P3 C41 -34.7(4) . . . . ? Cl4 Pt2 P3 C41 111.1(10) . . . . ? Cl3 Pt2 P3 C41 151.7(4) . . . . ? N36 P3 N31 C35 -179.2(7) . . . . ? C41 P3 N31 C35 -70.2(7) . . . . ? Pt2 P3 N31 C35 57.2(7) . . . . ? N36 P3 N31 C32 30.8(8) . . . . ? C41 P3 N31 C32 139.8(7) . . . . ? Pt2 P3 N31 C32 -92.8(7) . . . . ? C35 N31 C32 C33 10.1(12) . . . . ? P3 N31 C32 C33 162.6(9) . . . . ? N31 C32 C33 C34 -2.2(17) . . . . ? C32 C33 C34 C35 -6.1(18) . . . . ? C32 N31 C35 C34 -13.7(11) . . . . ? P3 N31 C35 C34 -167.2(7) . . . . ? C33 C34 C35 N31 11.9(14) . . . . ? N31 P3 N36 C37 -107.9(7) . . . . ? C41 P3 N36 C37 147.8(7) . . . . ? Pt2 P3 N36 C37 19.0(8) . . . . ? N31 P3 N36 C40 63.0(8) . . . . ? C41 P3 N36 C40 -41.3(8) . . . . ? Pt2 P3 N36 C40 -170.0(6) . . . . ? C40 N36 C37 C38 23.3(10) . . . . ? P3 N36 C37 C38 -164.7(7) . . . . ? N36 C37 C38 C39 -34.0(11) . . . . ? C37 C38 C39 C40 33.2(13) . . . . ? C38 C39 C40 N36 -18.2(13) . . . . ? C37 N36 C40 C39 -3.5(11) . . . . ? P3 N36 C40 C39 -175.7(8) . . . . ? P3 Pt2 P4 N46 70.6(3) . . . . ? Cl4 Pt2 P4 N46 -106.0(3) . . . . ? Cl3 Pt2 P4 N46 -179.0(7) . . . . ? P3 Pt2 P4 N41 -167.4(3) . . . . ? Cl4 Pt2 P4 N41 16.0(3) . . . . ? Cl3 Pt2 P4 N41 -57.0(8) . . . . ? P3 Pt2 P4 C51 -49.9(4) . . . . ? Cl4 Pt2 P4 C51 133.4(4) . . . . ? Cl3 Pt2 P4 C51 60.4(9) . . . . ? N46 P4 N41 C45 -171.3(7) . . . . ? C51 P4 N41 C45 -61.3(8) . . . . ? Pt2 P4 N41 C45 62.6(8) . . . . ? N46 P4 N41 C42 43.5(8) . . . . ? C51 P4 N41 C42 153.5(8) . . . . ? Pt2 P4 N41 C42 -82.6(7) . . . . ? C45 N41 C42 C43 10.6(12) . . . . ? P4 N41 C42 C43 159.1(8) . . . . ? N41 C42 C43 C44 -3.4(16) . . . . ? C42 C43 C44 C45 -4.8(18) . . . . ? C42 N41 C45 C44 -13.5(12) . . . . ? P4 N41 C45 C44 -161.9(9) . . . . ? C43 C44 C45 N41 11.1(16) . . . . ? N41 P4 N46 C50 58.7(8) . . . . ? C51 P4 N46 C50 -46.9(9) . . . . ? Pt2 P4 N46 C50 -171.3(7) . . . . ? N41 P4 N46 C47 -97.4(7) . . . . ? C51 P4 N46 C47 157.0(7) . . . . ? Pt2 P4 N46 C47 32.6(7) . . . . ? C50 N46 C47 C48 -8.4(13) . . . . ? P4 N46 C47 C48 151.0(10) . . . . ? N46 C47 C48 C49 17.2(18) . . . . ? C47 C48 C49 C50 -20.3(21) . . . . ? C47 N46 C50 C49 -3.0(12) . . . . ? P4 N46 C50 C49 -161.4(9) . . . . ? C48 C49 C50 N46 14.5(18) . . . . ? _refine_diff_density_max 0.917 _refine_diff_density_min -1.122 _refine_diff_density_rms 0.115 #end