data_20121109i _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C100 H108 Cl16 N8 O19 Pt3' _chemical_formula_sum 'C100 H108 Cl16 N8 O19 Pt3' _chemical_formula_weight 2878.41 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' 'O' 'O' 0.0106 0.0060 '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 'P2(1)2(1)2 ' _symmetry_space_group_name_Hall 'P 2 2ab' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x+1/2, y+1/2, -z' 'x+1/2, -y+1/2, -z' _cell_length_a 17.2735(14) _cell_length_b 31.0196(17) _cell_length_c 11.8157(12) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 6331.1(9) _cell_formula_units_Z 2 _cell_measurement_temperature 291(2) _cell_measurement_reflns_used 9854 _cell_measurement_theta_min 2.167 _cell_measurement_theta_max 21.57 _exptl_crystal_description block _exptl_crystal_colour green-yellow _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.16 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.510 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2844 _exptl_absorpt_coefficient_mu 3.704 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.4236 _exptl_absorpt_correction_T_max 0.5887 _exptl_absorpt_process_details 'SADABS,Bruker,2000' _exptl_special_details ; ? ; _diffrn_ambient_temperature 291(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker Smart Aepex CCD' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 50622 _diffrn_reflns_av_R_equivalents 0.0192 _diffrn_reflns_av_sigmaI/netI 0.0598 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -38 _diffrn_reflns_limit_k_max 38 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_theta_min 1.35 _diffrn_reflns_theta_max 26.00 _reflns_number_total 12412 _reflns_number_gt 10804 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART,(Bruker,2000)' _computing_cell_refinement 'SMART' _computing_data_reduction 'SAINT(Bruker,2000)' _computing_structure_solution 'SHELXTL(Bruker,2000) ' _computing_structure_refinement 'SHELXTL' _computing_molecular_graphics 'SHELXTL' _computing_publication_material '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 fullcycle _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+1.8800P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.072(6) _chemical_absolute_configuration unk _refine_ls_number_reflns 12412 _refine_ls_number_parameters 691 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0480 _refine_ls_R_factor_gt 0.0447 _refine_ls_wR_factor_ref 0.1149 _refine_ls_wR_factor_gt 0.1143 _refine_ls_goodness_of_fit_ref 1.016 _refine_ls_restrained_S_all 1.016 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.6157(4) 0.0172(2) 0.8043(6) 0.0372(14) Uani 1 1 d . . . C2 C 0.6398(4) -0.0276(2) 0.8060(7) 0.0450(17) Uani 1 1 d . . . C3 C 0.6483(4) -0.0485(2) 0.9114(6) 0.0362(16) Uani 1 1 d . . . H3 H 0.6677 -0.0765 0.9128 0.043 Uiso 1 1 calc R . . C4 C 0.6296(4) -0.0296(2) 1.0087(6) 0.0398(15) Uani 1 1 d . . . H4 H 0.6340 -0.0448 1.0762 0.048 Uiso 1 1 calc R . . C5 C 0.6028(4) 0.0138(2) 1.0101(7) 0.0404(16) Uani 1 1 d . . . H5 H 0.5892 0.0275 1.0774 0.048 Uiso 1 1 calc R . . C6 C 0.5979(4) 0.0343(2) 0.9092(6) 0.0422(17) Uani 1 1 d . . . N1 N 0.5528(3) 0.09249(19) 0.7960(4) 0.0357(12) Uani 1 1 d . . . C7 C 0.5572(4) 0.0768(2) 0.9060(6) 0.0420(17) Uani 1 1 d . . . C8 C 0.5218(4) 0.0992(2) 0.9938(8) 0.0471(18) Uani 1 1 d . . . H8 H 0.5247 0.0888 1.0674 0.057 Uiso 1 1 calc R . . C9 C 0.4821(4) 0.1373(2) 0.9716(7) 0.0437(17) Uani 1 1 d . . . C10 C 0.4778(5) 0.1529(2) 0.8615(7) 0.0481(18) Uani 1 1 d . . . C11 C 0.5131(4) 0.1305(2) 0.7737(7) 0.0412(16) Uani 1 1 d . . . H11 H 0.5102 0.1410 0.7001 0.049 Uiso 1 1 calc R . . C12 C 0.4390(5) 0.1629(2) 1.0612(7) 0.0484(18) Uani 1 1 d . . . H12A H 0.4767 0.1755 1.1122 0.058 Uiso 1 1 calc R . . H12B H 0.4076 0.1431 1.1051 0.058 Uiso 1 1 calc R . . C13 C 0.3832(5) 0.2012(2) 1.0137(8) 0.055(2) Uani 1 1 d . . . H13 H 0.3518 0.2186 1.0656 0.066 Uiso 1 1 calc R . . C14 C 0.3485(5) 0.1861(3) 0.8869(8) 0.055(2) Uani 1 1 d . . . H14A H 0.3332 0.1561 0.8822 0.066 Uiso 1 1 calc R . . H14B H 0.3091 0.2051 0.8562 0.066 Uiso 1 1 calc R . . C15 C 0.4299(5) 0.1954(2) 0.8453(8) 0.054(2) Uani 1 1 d . . . H15 H 0.4328 0.2079 0.7694 0.065 Uiso 1 1 calc R . . C16 C 0.4599(5) 0.2241(2) 0.9393(8) 0.054(2) Uani 1 1 d . . . C17 C 0.4208(5) 0.2676(2) 0.8987(7) 0.0458(18) Uani 1 1 d . . . H17A H 0.4577 0.2843 0.8568 0.069 Uiso 1 1 calc R . . H17B H 0.4037 0.2837 0.9635 0.069 Uiso 1 1 calc R . . H17C H 0.3772 0.2611 0.8513 0.069 Uiso 1 1 calc R . . C18 C 0.5466(5) 0.2297(2) 0.9542(7) 0.051(2) Uani 1 1 d . . . H18A H 0.5719 0.2262 0.8824 0.077 Uiso 1 1 calc R . . H18B H 0.5656 0.2084 1.0062 0.077 Uiso 1 1 calc R . . H18C H 0.5572 0.2579 0.9834 0.077 Uiso 1 1 calc R . . C19 C 0.6495(5) -0.0536(2) 0.7060(6) 0.0430(17) Uani 1 1 d . . . C20 C 0.7085(4) -0.0833(2) 0.6863(6) 0.0399(15) Uani 1 1 d . . . H20 H 0.7482 -0.0869 0.7386 0.048 Uiso 1 1 calc R . . C21 C 0.7070(4) -0.1073(2) 0.5877(7) 0.0443(18) Uani 1 1 d . . . C22 C 0.6469(4) -0.1032(2) 0.5102(7) 0.0466(18) Uani 1 1 d . . . C23 C 0.5880(4) -0.0732(2) 0.5300(6) 0.0408(17) Uani 1 1 d . . . H23 H 0.5483 -0.0696 0.4777 0.049 Uiso 1 1 calc R . . C24 C 0.7705(5) -0.1396(3) 0.5559(8) 0.058(2) Uani 1 1 d . . . H24A H 0.7684 -0.1635 0.6086 0.070 Uiso 1 1 calc R . . H24B H 0.8204 -0.1257 0.5654 0.070 Uiso 1 1 calc R . . C25 C 0.7656(5) -0.1588(3) 0.4276(8) 0.062(2) Uani 1 1 d . . . H25 H 0.8050 -0.1787 0.3988 0.074 Uiso 1 1 calc R . . C26 C 0.7276(4) -0.1214(2) 0.3456(7) 0.0473(18) Uani 1 1 d . . . H26A H 0.7467 -0.0925 0.3601 0.057 Uiso 1 1 calc R . . H26B H 0.7291 -0.1282 0.2655 0.057 Uiso 1 1 calc R . . C27 C 0.6507(5) -0.1315(3) 0.4027(6) 0.0491(18) Uani 1 1 d . . . H27 H 0.6051 -0.1305 0.3536 0.059 Uiso 1 1 calc R . . C28 C 0.6711(5) -0.1754(3) 0.4486(7) 0.0476(18) Uani 1 1 d . . . C29 C 0.6564(5) -0.2031(2) 0.3404(6) 0.0494(19) Uani 1 1 d . . . H29A H 0.6764 -0.2316 0.3519 0.074 Uiso 1 1 calc R . . H29B H 0.6820 -0.1900 0.2770 0.074 Uiso 1 1 calc R . . H29C H 0.6018 -0.2046 0.3259 0.074 Uiso 1 1 calc R . . C30 C 0.6229(5) -0.1934(3) 0.5476(7) 0.055(2) Uani 1 1 d . . . H30A H 0.6319 -0.1764 0.6140 0.082 Uiso 1 1 calc R . . H30B H 0.6378 -0.2227 0.5620 0.082 Uiso 1 1 calc R . . H30C H 0.5690 -0.1924 0.5283 0.082 Uiso 1 1 calc R . . C31 C 0.7012(4) 0.0299(2) 0.5870(5) 0.0350(14) Uani 1 1 d . . . C32 C 0.8108(4) -0.0035(3) 0.4956(6) 0.0469(17) Uani 1 1 d . . . C33 C 0.8719(4) -0.0182(2) 0.5619(8) 0.0505(19) Uani 1 1 d . . . C34 C 0.9339(4) -0.0394(2) 0.5118(7) 0.0429(17) Uani 1 1 d . . . H34 H 0.9747 -0.0492 0.5562 0.051 Uiso 1 1 calc R . . C35 C 0.9349(5) -0.0459(2) 0.3954(7) 0.0478(18) Uani 1 1 d . . . H35 H 0.9764 -0.0601 0.3619 0.057 Uiso 1 1 calc R . . C36 C 0.8739(5) -0.0312(3) 0.3291(8) 0.0555(19) Uani 1 1 d . . . H36 H 0.8746 -0.0356 0.2513 0.067 Uiso 1 1 calc R . . C37 C 0.8119(4) -0.0100(2) 0.3792(7) 0.0427(16) Uani 1 1 d . . . C38 C 0.8682(4) -0.0148(2) 0.6877(7) 0.0466(17) Uani 1 1 d . . . H38A H 0.9095 -0.0313 0.7205 0.070 Uiso 1 1 calc R . . H38B H 0.8194 -0.0257 0.7139 0.070 Uiso 1 1 calc R . . H38C H 0.8733 0.0149 0.7097 0.070 Uiso 1 1 calc R . . C39 C 0.7462(4) 0.0055(2) 0.3073(6) 0.0453(16) Uani 1 1 d . . . H39A H 0.7664 0.0194 0.2409 0.068 Uiso 1 1 calc R . . H39B H 0.7155 0.0257 0.3495 0.068 Uiso 1 1 calc R . . H39C H 0.7147 -0.0185 0.2853 0.068 Uiso 1 1 calc R . . C40 C 0.6211(5) 0.1099(2) 0.5711(7) 0.0473(17) Uani 1 1 d . . . C41 C 0.6146(5) 0.1709(3) 0.4329(7) 0.0509(18) Uani 1 1 d . . . C42 C 0.6287(4) 0.1634(2) 0.3234(7) 0.0494(17) Uani 1 1 d . . . C43 C 0.6313(5) 0.1963(3) 0.2431(8) 0.060(2) Uani 1 1 d . . . H43 H 0.6395 0.1899 0.1671 0.072 Uiso 1 1 calc R . . C44 C 0.6216(5) 0.2389(3) 0.2784(7) 0.059(2) Uani 1 1 d . . . H44 H 0.6254 0.2613 0.2265 0.071 Uiso 1 1 calc R . . C45 C 0.6055(4) 0.2480(3) 0.3969(7) 0.0502(19) Uani 1 1 d . . . H45 H 0.5987 0.2761 0.4224 0.060 Uiso 1 1 calc R . . C46 C 0.6007(5) 0.2144(3) 0.4683(8) 0.054(2) Uani 1 1 d . . . C47 C 0.5940(5) 0.2253(3) 0.5941(7) 0.059(2) Uani 1 1 d . . . H47A H 0.5595 0.2052 0.6300 0.088 Uiso 1 1 calc R . . H47B H 0.5741 0.2540 0.6026 0.088 Uiso 1 1 calc R . . H47C H 0.6441 0.2235 0.6288 0.088 Uiso 1 1 calc R . . C48 C 0.6414(5) 0.1187(2) 0.2845(7) 0.056(2) Uani 1 1 d . . . H48A H 0.6496 0.1003 0.3488 0.084 Uiso 1 1 calc R . . H48B H 0.6860 0.1177 0.2362 0.084 Uiso 1 1 calc R . . H48C H 0.5968 0.1089 0.2434 0.084 Uiso 1 1 calc R . . C49 C 0.8802(5) 0.1474(2) 0.4914(9) 0.064(2) Uani 1 1 d . . . H49 H 0.8792 0.1321 0.5639 0.077 Uiso 1 1 calc R . . C50 C 0.1254(5) 0.1360(3) 0.0630(7) 0.0525(19) Uani 1 1 d . . . H50 H 0.0772 0.1432 0.0236 0.063 Uiso 1 1 calc R . . Cl1 Cl 0.86335(14) 0.09148(8) 0.1255(2) 0.0656(6) Uani 1 1 d . . . Cl2 Cl 0.01622(13) 0.14019(7) 0.77756(19) 0.0579(5) Uani 1 1 d . . . Cl3 Cl 0.80324(14) 0.12788(7) 0.4063(2) 0.0638(6) Uani 1 1 d . . . Cl4 Cl 0.96994(13) 0.14502(8) 0.4395(2) 0.0668(6) Uani 1 1 d . . . Cl5 Cl 0.85266(14) 0.20166(8) 0.5154(2) 0.0675(6) Uani 1 1 d . . . Cl6 Cl 0.17035(13) 0.09306(7) -0.0096(2) 0.0645(6) Uani 1 1 d . . . Cl7 Cl 0.18643(12) 0.18212(7) 0.0612(2) 0.0576(5) Uani 1 1 d . . . Cl8 Cl 0.10507(13) 0.12832(7) 0.20024(19) 0.0624(5) Uani 1 1 d . . . N2 N 0.5893(3) -0.04855(18) 0.6300(6) 0.0404(13) Uani 1 1 d . . . N3 N 0.7454(3) 0.01531(17) 0.5486(5) 0.0384(13) Uani 1 1 d . . . N4 N 0.6235(4) 0.1393(2) 0.5078(6) 0.0498(15) Uani 1 1 d . . . O11 O 0.8954(4) 0.0825(2) 0.0145(6) 0.0712(18) Uani 1 1 d . . . O12 O 0.8595(4) 0.0509(2) 0.1853(5) 0.0646(15) Uani 1 1 d . . . O13 O 0.7859(4) 0.1095(2) 0.1209(7) 0.078(2) Uani 1 1 d . . . O14 O 0.9128(3) 0.12314(18) 0.1714(6) 0.0631(15) Uani 1 1 d . . . O21 O -0.0059(4) 0.10111(19) 0.7161(5) 0.0664(16) Uani 1 1 d . . . O22 O 0.0974(4) 0.1449(2) 0.7611(6) 0.073(2) Uani 1 1 d . . . O23 O -0.0290(4) 0.1739(2) 0.7205(5) 0.0635(16) Uani 1 1 d . . . O24 O 0.0013(4) 0.1439(2) 0.8932(6) 0.075(2) Uani 1 1 d . . . O1W O 0.8221(9) 0.0197(6) -0.0041(16) 0.047(4) Uani 0.30 1 d P . . H1X H 0.8206 0.0011 0.0485 0.056 Uiso 0.30 1 d PR . . H1Y H 0.8278 0.0447 0.0245 0.056 Uiso 0.30 1 d PR . . O2W O 0.7777(9) 0.1614(6) 0.8695(14) 0.050(4) Uani 0.30 1 d P . . H2X H 0.8144 0.1773 0.8931 0.060 Uiso 0.30 1 d PR . . H2Y H 0.7350 0.1706 0.8957 0.060 Uiso 0.30 1 d PR . . O3W O 0.5000 1.0000 0.3210(7) 0.0168(15) Uani 0.60 2 d SP . . H3X H 0.5394 1.0034 0.3631 0.020 Uiso 0.30 1 d PR . . H3Y H 0.4661 0.9802 0.3255 0.020 Uiso 0.30 1 d PR . . O4W O 0.7462(8) 0.1230(5) 0.6322(14) 0.040(3) Uani 0.30 1 d P . . H4X H 0.7321 0.1483 0.6514 0.048 Uiso 0.30 1 d PR . . H4Y H 0.7501 0.1073 0.6909 0.048 Uiso 0.30 1 d PR . . O5W O 1.0000 1.0000 0.9751(10) 0.064(4) Uani 0.60 2 d SP . . H5X H 0.9663 1.0142 0.9401 0.077 Uiso 0.30 1 d PR . . H5Y H 0.9936 0.9732 0.9650 0.077 Uiso 0.30 1 d PR . . Pt1 Pt 0.621182(15) 0.061892(8) 0.68122(2) 0.04039(8) Uani 1 1 d . . . Pt2 Pt 0.5000 0.0000 0.63565(4) 0.04992(12) Uani 1 2 d S . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.038(3) 0.040(3) 0.034(3) -0.015(3) -0.014(3) -0.008(3) C2 0.036(3) 0.039(4) 0.059(5) 0.003(3) -0.012(3) 0.008(3) C3 0.036(3) 0.023(3) 0.050(4) 0.004(3) -0.017(3) -0.007(2) C4 0.042(4) 0.040(3) 0.038(4) 0.007(3) 0.017(3) 0.007(3) C5 0.041(4) 0.034(3) 0.046(4) -0.003(3) 0.009(3) -0.008(3) C6 0.039(4) 0.050(4) 0.037(4) 0.001(3) -0.007(3) 0.015(3) N1 0.041(3) 0.049(3) 0.017(3) 0.011(2) -0.001(2) -0.001(2) C7 0.048(4) 0.049(4) 0.029(3) -0.007(3) -0.021(3) 0.013(3) C8 0.059(5) 0.027(3) 0.055(5) 0.000(3) 0.001(4) -0.008(3) C9 0.040(4) 0.035(4) 0.056(5) -0.001(3) 0.011(3) 0.010(3) C10 0.057(4) 0.031(3) 0.056(5) -0.015(3) 0.013(4) -0.014(3) C11 0.038(4) 0.040(4) 0.046(4) -0.006(3) 0.019(3) 0.008(3) C12 0.057(5) 0.041(4) 0.047(4) -0.002(3) 0.008(4) 0.001(3) C13 0.064(5) 0.041(4) 0.061(5) 0.002(4) 0.017(4) 0.020(4) C14 0.044(4) 0.042(4) 0.078(6) -0.012(4) 0.006(4) 0.014(3) C15 0.076(5) 0.031(4) 0.054(5) -0.012(3) 0.015(4) 0.010(3) C16 0.067(5) 0.034(4) 0.059(5) -0.013(4) 0.033(4) 0.009(3) C17 0.060(5) 0.035(4) 0.043(4) -0.005(3) 0.022(3) 0.015(3) C18 0.087(6) 0.029(3) 0.038(4) -0.006(3) -0.030(4) -0.015(3) C19 0.056(4) 0.046(4) 0.027(3) 0.005(3) 0.006(3) 0.001(3) C20 0.041(3) 0.045(4) 0.034(3) 0.013(3) -0.004(3) 0.006(3) C21 0.040(4) 0.036(4) 0.057(5) -0.009(3) 0.007(3) 0.004(3) C22 0.047(4) 0.049(4) 0.044(4) -0.010(3) 0.022(3) -0.018(3) C23 0.047(4) 0.043(4) 0.032(4) -0.013(3) 0.004(3) -0.023(3) C24 0.055(5) 0.056(5) 0.064(5) -0.002(4) 0.007(4) 0.027(4) C25 0.050(5) 0.063(5) 0.073(6) -0.019(5) -0.012(4) 0.028(4) C26 0.053(4) 0.043(4) 0.046(4) -0.012(3) 0.005(3) -0.012(3) C27 0.061(4) 0.053(4) 0.034(4) -0.013(3) -0.002(3) 0.017(3) C28 0.054(5) 0.049(4) 0.040(4) 0.012(3) -0.007(3) 0.007(3) C29 0.069(5) 0.044(4) 0.035(4) -0.007(3) -0.006(3) 0.023(3) C30 0.058(5) 0.061(5) 0.045(4) 0.003(4) 0.015(4) -0.025(4) C31 0.058(4) 0.023(3) 0.024(3) 0.001(2) 0.007(3) -0.006(3) C32 0.038(4) 0.063(5) 0.040(4) 0.004(4) 0.010(3) 0.011(3) C33 0.037(4) 0.046(4) 0.069(5) -0.025(4) -0.002(4) -0.014(3) C34 0.040(4) 0.046(4) 0.043(4) -0.020(3) -0.002(3) -0.001(3) C35 0.046(4) 0.044(4) 0.053(5) 0.006(3) 0.016(4) 0.000(3) C36 0.057(4) 0.054(4) 0.056(5) -0.010(4) 0.009(4) -0.016(4) C37 0.043(4) 0.040(4) 0.045(4) -0.018(3) 0.006(3) -0.004(3) C38 0.039(4) 0.043(4) 0.057(4) -0.013(3) -0.016(4) -0.011(3) C39 0.050(4) 0.050(4) 0.036(4) -0.002(3) -0.008(3) -0.012(3) C40 0.048(4) 0.039(4) 0.055(5) -0.011(3) 0.015(4) 0.001(3) C41 0.059(5) 0.053(4) 0.040(4) 0.009(3) 0.000(4) -0.015(4) C42 0.043(4) 0.048(4) 0.057(5) 0.006(4) -0.013(4) -0.008(3) C43 0.066(5) 0.060(5) 0.054(5) 0.011(4) -0.032(4) -0.023(4) C44 0.067(5) 0.060(5) 0.051(4) 0.026(4) -0.029(4) -0.004(4) C45 0.050(5) 0.042(4) 0.058(5) -0.003(4) -0.001(4) -0.001(3) C46 0.054(5) 0.046(4) 0.062(5) -0.006(4) 0.000(4) -0.025(3) C47 0.064(5) 0.057(5) 0.055(5) -0.011(4) 0.015(4) -0.028(4) C48 0.080(6) 0.036(4) 0.052(5) 0.013(3) 0.032(4) -0.002(3) C49 0.067(5) 0.037(4) 0.087(7) -0.003(4) -0.012(5) 0.001(4) C50 0.057(4) 0.058(5) 0.042(4) 0.014(3) 0.011(4) 0.010(4) Cl1 0.0666(13) 0.0660(13) 0.0643(13) -0.0132(11) -0.0063(11) -0.0154(10) Cl2 0.0606(13) 0.0589(12) 0.0543(11) -0.0102(9) 0.0111(9) -0.0094(9) Cl3 0.0670(13) 0.0593(13) 0.0650(13) -0.0146(11) 0.0120(11) -0.0139(10) Cl4 0.0604(12) 0.0699(14) 0.0701(15) -0.0167(12) 0.0111(11) -0.0119(10) Cl5 0.0689(13) 0.0636(13) 0.0699(15) 0.0137(11) 0.0095(11) 0.0116(10) Cl6 0.0591(12) 0.0588(12) 0.0757(15) 0.0149(11) 0.0193(11) 0.0109(9) Cl7 0.0530(11) 0.0589(12) 0.0607(13) 0.0101(10) -0.0100(9) 0.0061(9) Cl8 0.0677(13) 0.0650(12) 0.0546(12) 0.0087(10) 0.0129(10) 0.0103(10) N2 0.033(3) 0.042(3) 0.046(3) -0.018(3) 0.012(3) -0.003(2) N3 0.038(3) 0.033(3) 0.044(3) 0.011(2) 0.012(3) -0.016(2) N4 0.043(3) 0.054(4) 0.052(4) 0.007(3) -0.005(3) -0.008(3) O11 0.074(4) 0.075(4) 0.065(4) -0.018(3) 0.007(3) -0.018(3) O12 0.080(4) 0.066(4) 0.047(3) -0.006(3) -0.005(3) -0.012(3) O13 0.078(4) 0.073(4) 0.084(5) -0.026(4) -0.018(4) 0.026(3) O14 0.065(3) 0.052(3) 0.072(4) -0.001(3) 0.018(3) 0.011(3) O21 0.068(4) 0.062(4) 0.068(4) -0.009(3) -0.030(3) -0.007(3) O22 0.087(5) 0.067(4) 0.064(4) 0.025(3) -0.042(4) -0.023(3) O23 0.068(4) 0.072(4) 0.051(3) 0.004(3) -0.006(3) -0.030(3) O24 0.076(4) 0.075(4) 0.075(4) -0.041(3) -0.031(4) 0.022(4) O1W 0.033(8) 0.051(10) 0.056(11) -0.015(8) -0.002(8) -0.014(7) O2W 0.036(8) 0.080(12) 0.034(8) 0.015(9) 0.017(7) 0.016(8) O3W 0.023(4) 0.019(4) 0.008(3) 0.000 0.000 0.002(3) O4W 0.038(8) 0.041(8) 0.042(8) 0.007(7) -0.015(7) 0.007(7) O5W 0.059(8) 0.101(11) 0.032(7) 0.000 0.000 -0.006(8) Pt1 0.04315(14) 0.04022(14) 0.03779(14) -0.00770(12) 0.00845(12) -0.00899(11) Pt2 0.0488(2) 0.0501(2) 0.0509(2) 0.000 0.000 0.00829(19) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C6 1.382(10) . ? C1 C2 1.451(9) . ? C1 Pt1 2.012(7) . ? C2 C3 1.411(11) . ? C2 C19 1.441(11) . ? C3 C4 1.331(10) . ? C3 H3 0.9300 . ? C4 C5 1.425(9) . ? C4 H4 0.9300 . ? C5 C6 1.354(11) . ? C5 H5 0.9300 . ? C6 C7 1.495(10) . ? N1 C7 1.390(9) . ? N1 C11 1.390(9) . ? N1 Pt1 2.033(6) . ? C7 C8 1.390(11) . ? C8 C9 1.390(10) . ? C8 H8 0.9300 . ? C9 C10 1.390(12) . ? C9 C12 1.519(10) . ? C10 C11 1.390(10) . ? C10 C15 1.566(11) . ? C11 H11 0.9300 . ? C12 C13 1.631(11) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 C14 1.680(13) . ? C13 C16 1.742(11) . ? C13 H13 0.9800 . ? C14 C15 1.516(12) . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 C16 1.516(12) . ? C15 H15 0.9800 . ? C16 C18 1.518(12) . ? C16 C17 1.583(11) . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 N2 1.382(8) . ? C19 C20 1.394(10) . ? C20 C21 1.383(11) . ? C20 H20 0.9300 . ? C21 C22 1.391(11) . ? C21 C24 1.533(10) . ? C22 C23 1.398(11) . ? C22 C27 1.547(10) . ? C23 N2 1.408(7) . ? C23 H23 0.9300 . ? C24 C25 1.630(13) . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 C26 1.648(12) . ? C25 C28 1.731(13) . ? C25 H25 0.9800 . ? C26 C27 1.522(11) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 C28 1.507(11) . ? C27 H27 0.9800 . ? C28 C30 1.540(11) . ? C28 C29 1.561(11) . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 N3 0.997(7) . ? C31 Pt1 2.033(7) . ? C32 C33 1.390(11) . ? C32 C37 1.390(11) . ? C32 N3 1.417(7) . ? C33 C34 1.390(10) . ? C33 C38 1.492(12) . ? C34 C35 1.390(11) . ? C34 H34 0.9300 . ? C35 C36 1.390(12) . ? C35 H35 0.9300 . ? C36 C37 1.390(11) . ? C36 H36 0.9300 . ? C37 C39 1.496(8) . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C39 H39A 0.9600 . ? C39 H39B 0.9600 . ? C39 H39C 0.9600 . ? C40 N4 1.181(10) . ? C40 Pt1 1.977(8) . ? C41 N4 1.330(10) . ? C41 C42 1.337(12) . ? C41 C46 1.431(12) . ? C42 C43 1.393(11) . ? C42 C48 1.478(11) . ? C43 C44 1.396(13) . ? C43 H43 0.9300 . ? C44 C45 1.455(13) . ? C44 H44 0.9300 . ? C45 C46 1.343(12) . ? C45 H45 0.9300 . ? C46 C47 1.529(12) . ? C47 H47A 0.9600 . ? C47 H47B 0.9600 . ? C47 H47C 0.9600 . ? C48 H48A 0.9600 . ? C48 H48B 0.9600 . ? C48 H48C 0.9600 . ? C49 Cl4 1.669(10) . ? C49 Cl5 1.772(8) . ? C49 Cl3 1.773(9) . ? C49 H49 0.9800 . ? C50 Cl8 1.676(8) . ? C50 Cl6 1.765(8) . ? C50 Cl7 1.777(9) . ? C50 H50 0.9800 . ? Cl1 O14 1.411(7) . ? Cl1 O12 1.446(7) . ? Cl1 O11 1.450(7) . ? Cl1 O13 1.451(7) . ? Cl2 O24 1.396(7) . ? Cl2 O22 1.424(7) . ? Cl2 O21 1.464(6) . ? Cl2 O23 1.468(7) . ? N2 Pt2 2.157(6) . ? O1W H1X 0.8499 . ? O1W H1Y 0.8500 . ? O2W H2X 0.8499 . ? O2W H2Y 0.8500 . ? O3W H3X 0.8500 . ? O3W H3Y 0.8500 . ? O4W H4X 0.8500 . ? O4W H4Y 0.8499 . ? O5W H5X 0.8395 . ? O5W H5Y 0.8476 . ? Pt1 Pt2 2.8909(3) . ? Pt2 N2 2.157(6) 2_655 ? Pt2 Pt1 2.8909(3) 2_655 ? 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 C6 C1 C2 114.8(7) . . ? C6 C1 Pt1 113.2(5) . . ? C2 C1 Pt1 131.1(6) . . ? C3 C2 C19 117.0(6) . . ? C3 C2 C1 118.9(7) . . ? C19 C2 C1 123.9(7) . . ? C4 C3 C2 122.3(6) . . ? C4 C3 H3 118.9 . . ? C2 C3 H3 118.9 . . ? C3 C4 C5 120.4(7) . . ? C3 C4 H4 119.8 . . ? C5 C4 H4 119.8 . . ? C6 C5 C4 117.0(7) . . ? C6 C5 H5 121.5 . . ? C4 C5 H5 121.5 . . ? C5 C6 C1 126.5(7) . . ? C5 C6 C7 117.7(7) . . ? C1 C6 C7 114.9(6) . . ? C7 N1 C11 120.0(6) . . ? C7 N1 Pt1 115.4(4) . . ? C11 N1 Pt1 123.8(4) . . ? C8 C7 N1 120.0(6) . . ? C8 C7 C6 129.0(7) . . ? N1 C7 C6 110.9(6) . . ? C7 C8 C9 120.0(8) . . ? C7 C8 H8 120.0 . . ? C9 C8 H8 120.0 . . ? C10 C9 C8 120.0(7) . . ? C10 C9 C12 116.3(6) . . ? C8 C9 C12 123.6(8) . . ? C9 C10 C11 120.0(7) . . ? C9 C10 C15 115.9(6) . . ? C11 C10 C15 124.1(8) . . ? C10 C11 N1 120.0(7) . . ? C10 C11 H11 120.0 . . ? N1 C11 H11 120.0 . . ? C9 C12 C13 115.5(7) . . ? C9 C12 H12A 108.4 . . ? C13 C12 H12A 108.4 . . ? C9 C12 H12B 108.4 . . ? C13 C12 H12B 108.4 . . ? H12A C12 H12B 107.5 . . ? C12 C13 C14 108.3(6) . . ? C12 C13 C16 91.2(6) . . ? C14 C13 C16 86.2(6) . . ? C12 C13 H13 120.9 . . ? C14 C13 H13 120.9 . . ? C16 C13 H13 120.9 . . ? C15 C14 C13 84.6(6) . . ? C15 C14 H14A 114.5 . . ? C13 C14 H14A 114.5 . . ? C15 C14 H14B 114.5 . . ? C13 C14 H14B 114.5 . . ? H14A C14 H14B 111.7 . . ? C16 C15 C14 101.0(6) . . ? C16 C15 C10 103.0(7) . . ? C14 C15 C10 106.9(6) . . ? C16 C15 H15 114.8 . . ? C14 C15 H15 114.8 . . ? C10 C15 H15 114.8 . . ? C15 C16 C18 119.3(6) . . ? C15 C16 C17 97.7(7) . . ? C18 C16 C17 111.1(7) . . ? C15 C16 C13 82.5(6) . . ? C18 C16 C13 137.6(8) . . ? C17 C16 C13 100.1(5) . . ? C16 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C16 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C16 C18 H18A 109.5 . . ? C16 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C16 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? N2 C19 C20 121.1(6) . . ? N2 C19 C2 112.5(6) . . ? C20 C19 C2 126.2(7) . . ? C21 C20 C19 118.8(7) . . ? C21 C20 H20 120.6 . . ? C19 C20 H20 120.6 . . ? C20 C21 C22 121.3(6) . . ? C20 C21 C24 123.0(7) . . ? C22 C21 C24 115.6(7) . . ? C21 C22 C23 119.6(7) . . ? C21 C22 C27 117.2(7) . . ? C23 C22 C27 123.2(7) . . ? C22 C23 N2 119.3(6) . . ? C22 C23 H23 120.3 . . ? N2 C23 H23 120.3 . . ? C21 C24 C25 115.4(7) . . ? C21 C24 H24A 108.4 . . ? C25 C24 H24A 108.4 . . ? C21 C24 H24B 108.4 . . ? C25 C24 H24B 108.4 . . ? H24A C24 H24B 107.5 . . ? C24 C25 C26 108.1(6) . . ? C24 C25 C28 91.4(7) . . ? C26 C25 C28 85.3(5) . . ? C24 C25 H25 121.1 . . ? C26 C25 H25 121.1 . . ? C28 C25 H25 121.1 . . ? C27 C26 C25 86.6(6) . . ? C27 C26 H26A 114.2 . . ? C25 C26 H26A 114.2 . . ? C27 C26 H26B 114.2 . . ? C25 C26 H26B 114.2 . . ? H26A C26 H26B 111.4 . . ? C28 C27 C26 98.2(6) . . ? C28 C27 C22 103.2(6) . . ? C26 C27 C22 106.5(6) . . ? C28 C27 H27 115.6 . . ? C26 C27 H27 115.6 . . ? C22 C27 H27 115.6 . . ? C27 C28 C30 118.4(7) . . ? C27 C28 C29 99.4(6) . . ? C30 C28 C29 109.5(7) . . ? C27 C28 C25 84.2(6) . . ? C30 C28 C25 136.7(7) . . ? C29 C28 C25 101.5(6) . . ? C28 C29 H29A 109.5 . . ? C28 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C28 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C28 C30 H30A 109.5 . . ? C28 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C28 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? N3 C31 Pt1 172.5(6) . . ? C33 C32 C37 120.0(7) . . ? C33 C32 N3 119.4(6) . . ? C37 C32 N3 120.4(6) . . ? C34 C33 C32 120.0(7) . . ? C34 C33 C38 119.4(8) . . ? C32 C33 C38 120.4(7) . . ? C33 C34 C35 120.0(7) . . ? C33 C34 H34 120.0 . . ? C35 C34 H34 120.0 . . ? C36 C35 C34 120.0(7) . . ? C36 C35 H35 120.0 . . ? C34 C35 H35 120.0 . . ? C37 C36 C35 120.0(8) . . ? C37 C36 H36 120.0 . . ? C35 C36 H36 120.0 . . ? C36 C37 C32 120.0(7) . . ? C36 C37 C39 119.6(6) . . ? C32 C37 C39 120.4(6) . . ? C33 C38 H38A 109.5 . . ? C33 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C33 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C37 C39 H39A 109.5 . . ? C37 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C37 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? N4 C40 Pt1 177.3(7) . . ? N4 C41 C42 119.6(8) . . ? N4 C41 C46 121.2(7) . . ? C42 C41 C46 118.5(7) . . ? C41 C42 C43 122.5(8) . . ? C41 C42 C48 119.4(7) . . ? C43 C42 C48 118.1(8) . . ? C42 C43 C44 119.0(8) . . ? C42 C43 H43 120.5 . . ? C44 C43 H43 120.5 . . ? C43 C44 C45 119.6(7) . . ? C43 C44 H44 120.2 . . ? C45 C44 H44 120.2 . . ? C46 C45 C44 117.8(7) . . ? C46 C45 H45 121.1 . . ? C44 C45 H45 121.1 . . ? C45 C46 C41 122.4(8) . . ? C45 C46 C47 116.3(7) . . ? C41 C46 C47 120.3(8) . . ? C46 C47 H47A 109.5 . . ? C46 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? C46 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C42 C48 H48A 109.5 . . ? C42 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C42 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? Cl4 C49 Cl5 110.5(5) . . ? Cl4 C49 Cl3 118.2(6) . . ? Cl5 C49 Cl3 102.4(5) . . ? Cl4 C49 H49 108.4 . . ? Cl5 C49 H49 108.4 . . ? Cl3 C49 H49 108.4 . . ? Cl8 C50 Cl6 117.1(5) . . ? Cl8 C50 Cl7 104.5(5) . . ? Cl6 C50 Cl7 109.9(4) . . ? Cl8 C50 H50 108.3 . . ? Cl6 C50 H50 108.3 . . ? Cl7 C50 H50 108.3 . . ? O14 Cl1 O12 116.5(4) . . ? O14 Cl1 O11 104.5(4) . . ? O12 Cl1 O11 107.0(4) . . ? O14 Cl1 O13 107.8(4) . . ? O12 Cl1 O13 108.2(4) . . ? O11 Cl1 O13 113.1(5) . . ? O24 Cl2 O22 107.9(4) . . ? O24 Cl2 O21 120.4(4) . . ? O22 Cl2 O21 105.9(4) . . ? O24 Cl2 O23 107.0(4) . . ? O22 Cl2 O23 112.9(3) . . ? O21 Cl2 O23 102.9(4) . . ? C19 N2 C23 119.8(5) . . ? C19 N2 Pt2 126.6(3) . . ? C23 N2 Pt2 113.2(4) . . ? C31 N3 C32 176.8(5) . . ? C40 N4 C41 171.0(8) . . ? H1X O1W H1Y 109.5 . . ? H2X O2W H2Y 109.5 . . ? H3X O3W H3Y 127.1 . . ? H4X O4W H4Y 109.5 . . ? H5X O5W H5Y 110.7 . . ? C40 Pt1 C1 174.1(2) . . ? C40 Pt1 N1 95.0(2) . . ? C1 Pt1 N1 79.2(2) . . ? C40 Pt1 C31 90.4(2) . . ? C1 Pt1 C31 95.2(3) . . ? N1 Pt1 C31 171.0(2) . . ? C40 Pt1 Pt2 112.2(2) . . ? C1 Pt1 Pt2 69.09(16) . . ? N1 Pt1 Pt2 90.79(16) . . ? C31 Pt1 Pt2 93.78(18) . . ? N2 Pt2 N2 176.5(3) 2_655 . ? N2 Pt2 Pt1 93.44(15) 2_655 . ? N2 Pt2 Pt1 87.22(14) . . ? N2 Pt2 Pt1 87.22(14) 2_655 2_655 ? N2 Pt2 Pt1 93.44(15) . 2_655 ? Pt1 Pt2 Pt1 158.53(2) . 2_655 ? 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 C6 C1 C2 C3 -4.4(9) . . . . ? Pt1 C1 C2 C3 163.3(5) . . . . ? C6 C1 C2 C19 170.1(7) . . . . ? Pt1 C1 C2 C19 -22.2(10) . . . . ? C19 C2 C3 C4 -169.8(7) . . . . ? C1 C2 C3 C4 5.1(10) . . . . ? C2 C3 C4 C5 -2.6(10) . . . . ? C3 C4 C5 C6 -0.3(10) . . . . ? C4 C5 C6 C1 0.6(11) . . . . ? C4 C5 C6 C7 169.5(6) . . . . ? C2 C1 C6 C5 1.8(11) . . . . ? Pt1 C1 C6 C5 -168.2(6) . . . . ? C2 C1 C6 C7 -167.4(6) . . . . ? Pt1 C1 C6 C7 22.6(8) . . . . ? C11 N1 C7 C8 0.0(10) . . . . ? Pt1 N1 C7 C8 170.6(6) . . . . ? C11 N1 C7 C6 176.3(6) . . . . ? Pt1 N1 C7 C6 -13.1(8) . . . . ? C5 C6 C7 C8 -0.5(12) . . . . ? C1 C6 C7 C8 169.7(7) . . . . ? C5 C6 C7 N1 -176.4(7) . . . . ? C1 C6 C7 N1 -6.2(9) . . . . ? N1 C7 C8 C9 0.0(11) . . . . ? C6 C7 C8 C9 -175.6(7) . . . . ? C7 C8 C9 C10 0.0(11) . . . . ? C7 C8 C9 C12 177.4(7) . . . . ? C8 C9 C10 C11 0.0(11) . . . . ? C12 C9 C10 C11 -177.6(7) . . . . ? C8 C9 C10 C15 178.5(7) . . . . ? C12 C9 C10 C15 0.9(10) . . . . ? C9 C10 C11 N1 0.0(11) . . . . ? C15 C10 C11 N1 -178.3(7) . . . . ? C7 N1 C11 C10 0.0(10) . . . . ? Pt1 N1 C11 C10 -169.8(5) . . . . ? C10 C9 C12 C13 8.6(10) . . . . ? C8 C9 C12 C13 -168.9(7) . . . . ? C9 C12 C13 C14 31.7(9) . . . . ? C9 C12 C13 C16 -54.7(8) . . . . ? C12 C13 C14 C15 -73.4(7) . . . . ? C16 C13 C14 C15 16.6(5) . . . . ? C13 C14 C15 C16 -19.5(6) . . . . ? C13 C14 C15 C10 87.8(7) . . . . ? C9 C10 C15 C16 47.2(9) . . . . ? C11 C10 C15 C16 -134.4(7) . . . . ? C9 C10 C15 C14 -58.8(9) . . . . ? C11 C10 C15 C14 119.6(8) . . . . ? C14 C15 C16 C18 160.1(7) . . . . ? C10 C15 C16 C18 49.7(9) . . . . ? C14 C15 C16 C17 -80.4(7) . . . . ? C10 C15 C16 C17 169.1(6) . . . . ? C14 C15 C16 C13 18.9(6) . . . . ? C10 C15 C16 C13 -91.6(6) . . . . ? C12 C13 C16 C15 91.6(6) . . . . ? C14 C13 C16 C15 -16.7(5) . . . . ? C12 C13 C16 C18 -34.4(10) . . . . ? C14 C13 C16 C18 -142.7(9) . . . . ? C12 C13 C16 C17 -171.9(6) . . . . ? C14 C13 C16 C17 79.8(6) . . . . ? C3 C2 C19 N2 130.0(6) . . . . ? C1 C2 C19 N2 -44.6(9) . . . . ? C3 C2 C19 C20 -45.7(10) . . . . ? C1 C2 C19 C20 139.7(7) . . . . ? N2 C19 C20 C21 1.3(10) . . . . ? C2 C19 C20 C21 176.7(7) . . . . ? C19 C20 C21 C22 -1.9(11) . . . . ? C19 C20 C21 C24 177.8(7) . . . . ? C20 C21 C22 C23 2.2(11) . . . . ? C24 C21 C22 C23 -177.5(7) . . . . ? C20 C21 C22 C27 -179.9(7) . . . . ? C24 C21 C22 C27 0.4(10) . . . . ? C21 C22 C23 N2 -1.9(9) . . . . ? C27 C22 C23 N2 -179.6(6) . . . . ? C20 C21 C24 C25 -170.4(8) . . . . ? C22 C21 C24 C25 9.3(11) . . . . ? C21 C24 C25 C26 31.1(10) . . . . ? C21 C24 C25 C28 -54.4(8) . . . . ? C24 C25 C26 C27 -73.3(7) . . . . ? C28 C25 C26 C27 16.7(5) . . . . ? C25 C26 C27 C28 -19.4(6) . . . . ? C25 C26 C27 C22 87.1(7) . . . . ? C21 C22 C27 C28 46.3(9) . . . . ? C23 C22 C27 C28 -135.9(7) . . . . ? C21 C22 C27 C26 -56.6(9) . . . . ? C23 C22 C27 C26 121.3(7) . . . . ? C26 C27 C28 C30 159.4(7) . . . . ? C22 C27 C28 C30 50.2(9) . . . . ? C26 C27 C28 C29 -82.3(7) . . . . ? C22 C27 C28 C29 168.5(6) . . . . ? C26 C27 C28 C25 18.5(6) . . . . ? C22 C27 C28 C25 -90.7(6) . . . . ? C24 C25 C28 C27 91.2(6) . . . . ? C26 C25 C28 C27 -16.9(5) . . . . ? C24 C25 C28 C30 -34.9(11) . . . . ? C26 C25 C28 C30 -142.9(10) . . . . ? C24 C25 C28 C29 -170.4(6) . . . . ? C26 C25 C28 C29 81.5(6) . . . . ? C37 C32 C33 C34 0.0(12) . . . . ? N3 C32 C33 C34 175.4(6) . . . . ? C37 C32 C33 C38 -174.7(7) . . . . ? N3 C32 C33 C38 0.7(11) . . . . ? C32 C33 C34 C35 0.0(11) . . . . ? C38 C33 C34 C35 174.7(7) . . . . ? C33 C34 C35 C36 0.0(11) . . . . ? C34 C35 C36 C37 0.0(11) . . . . ? C35 C36 C37 C32 0.0(11) . . . . ? C35 C36 C37 C39 -179.7(6) . . . . ? C33 C32 C37 C36 0.0(12) . . . . ? N3 C32 C37 C36 -175.4(6) . . . . ? C33 C32 C37 C39 179.7(6) . . . . ? N3 C32 C37 C39 4.3(11) . . . . ? N4 C41 C42 C43 -170.6(7) . . . . ? C46 C41 C42 C43 0.9(12) . . . . ? N4 C41 C42 C48 10.0(12) . . . . ? C46 C41 C42 C48 -178.6(7) . . . . ? C41 C42 C43 C44 2.2(12) . . . . ? C48 C42 C43 C44 -178.3(8) . . . . ? C42 C43 C44 C45 -2.7(12) . . . . ? C43 C44 C45 C46 0.1(12) . . . . ? C44 C45 C46 C41 3.2(12) . . . . ? C44 C45 C46 C47 172.5(8) . . . . ? N4 C41 C46 C45 167.6(8) . . . . ? C42 C41 C46 C45 -3.7(13) . . . . ? N4 C41 C46 C47 -1.3(12) . . . . ? C42 C41 C46 C47 -172.7(8) . . . . ? C20 C19 N2 C23 -1.1(8) . . . . ? C2 C19 N2 C23 -177.0(5) . . . . ? C20 C19 N2 Pt2 -172.8(4) . . . . ? C2 C19 N2 Pt2 11.2(7) . . . . ? C22 C23 N2 C19 1.3(8) . . . . ? C22 C23 N2 Pt2 174.1(5) . . . . ? Pt1 C31 N3 C32 -40(13) . . . . ? C33 C32 N3 C31 69(11) . . . . ? C37 C32 N3 C31 -116(11) . . . . ? Pt1 C40 N4 C41 -155(12) . . . . ? C42 C41 N4 C40 -88(5) . . . . ? C46 C41 N4 C40 101(5) . . . . ? N4 C40 Pt1 C1 74(16) . . . . ? N4 C40 Pt1 N1 82(15) . . . . ? N4 C40 Pt1 C31 -90(15) . . . . ? N4 C40 Pt1 Pt2 175(100) . . . . ? C6 C1 Pt1 C40 -14(2) . . . . ? C2 C1 Pt1 C40 178(2) . . . . ? C6 C1 Pt1 N1 -22.8(5) . . . . ? C2 C1 Pt1 N1 169.3(6) . . . . ? C6 C1 Pt1 C31 150.1(5) . . . . ? C2 C1 Pt1 C31 -17.8(6) . . . . ? C6 C1 Pt1 Pt2 -117.9(5) . . . . ? C2 C1 Pt1 Pt2 74.2(6) . . . . ? C7 N1 Pt1 C40 -159.2(5) . . . . ? C11 N1 Pt1 C40 11.0(6) . . . . ? C7 N1 Pt1 C1 19.9(5) . . . . ? C11 N1 Pt1 C1 -169.9(6) . . . . ? C7 N1 Pt1 C31 -32.2(18) . . . . ? C11 N1 Pt1 C31 138.0(14) . . . . ? C7 N1 Pt1 Pt2 88.4(5) . . . . ? C11 N1 Pt1 Pt2 -101.4(5) . . . . ? N3 C31 Pt1 C40 105(4) . . . . ? N3 C31 Pt1 C1 -73(4) . . . . ? N3 C31 Pt1 N1 -22(5) . . . . ? N3 C31 Pt1 Pt2 -142(4) . . . . ? C19 N2 Pt2 N2 146.4(4) . . . 2_655 ? C23 N2 Pt2 N2 -25.8(3) . . . 2_655 ? C19 N2 Pt2 Pt1 45.5(4) . . . . ? C23 N2 Pt2 Pt1 -126.7(3) . . . . ? C19 N2 Pt2 Pt1 -113.0(4) . . . 2_655 ? C23 N2 Pt2 Pt1 74.8(3) . . . 2_655 ? C40 Pt1 Pt2 N2 -52.0(3) . . . 2_655 ? C1 Pt1 Pt2 N2 121.8(2) . . . 2_655 ? N1 Pt1 Pt2 N2 43.70(17) . . . 2_655 ? C31 Pt1 Pt2 N2 -144.03(19) . . . 2_655 ? C40 Pt1 Pt2 N2 124.5(3) . . . . ? C1 Pt1 Pt2 N2 -61.7(2) . . . . ? N1 Pt1 Pt2 N2 -139.78(17) . . . . ? C31 Pt1 Pt2 N2 32.49(19) . . . . ? C40 Pt1 Pt2 Pt1 -143.2(2) . . . 2_655 ? C1 Pt1 Pt2 Pt1 30.6(2) . . . 2_655 ? N1 Pt1 Pt2 Pt1 -47.45(15) . . . 2_655 ? C31 Pt1 Pt2 Pt1 124.82(19) . . . 2_655 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.693 _refine_diff_density_min -0.765 _refine_diff_density_rms 0.149