# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 186/2227 data_vk17 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C38 H42.50 Cl5 N2 O P Pt' _chemical_formula_weight 946.55 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' '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) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 15.379(3) _cell_length_b 11.402(2) _cell_length_c 23.776(5) _cell_angle_alpha 90.00 _cell_angle_beta 100.94(3) _cell_angle_gamma 90.00 _cell_volume 4093.4(14) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 24 _cell_measurement_theta_min 11.2 _cell_measurement_theta_max 12.8 _exptl_crystal_description prism _exptl_crystal_colour yellow _exptl_crystal_size_max 0.54 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.536 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1882 _exptl_absorpt_coefficient_mu 3.824 _exptl_absorpt_correction_type numeric _exptl_absorpt_correction_T_min 0.271 _exptl_absorpt_correction_T_max 0.639 _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 beta-filter _diffrn_measurement_device_type CAD-4 _diffrn_measurement_method theta/2theta _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 60 _diffrn_standards_decay_% 2 _diffrn_reflns_number 3820 _diffrn_reflns_av_R_equivalents 0.0534 _diffrn_reflns_av_sigmaI/netI 0.0241 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.74 _diffrn_reflns_theta_max 24.97 _reflns_number_total 3676 _reflns_number_gt 3676 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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 w=1/[\s^2^(Fo^2^)+(0.0957P)^2^+12.6917P] 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 mixed _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 0.008(19) _refine_ls_number_reflns 3676 _refine_ls_number_parameters 340 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0436 _refine_ls_R_factor_gt 0.0436 _refine_ls_wR_factor_ref 0.1185 _refine_ls_wR_factor_gt 0.1185 _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_restrained_S_all 1.042 _refine_ls_shift/su_max 0.963 _refine_ls_shift/su_mean 0.044 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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.28993(5) 0.3406 0.86878(4) 0.0533(3) Uani 1 d . . . Cl1 Cl 0.1764(4) 0.3150(6) 0.7901(3) 0.0805(19) Uani 1 d . . . Cl2 Cl 0.4039(4) 0.3579(6) 0.9474(3) 0.0774(17) Uani 1 d . . . Cl3 Cl 0.1896(4) 0.3877(6) 0.9264(3) 0.0775(18) Uani 1 d . . . Cl4 Cl 0.3054(4) 0.5346(5) 0.8472(3) 0.0791(17) Uani 1 d . . . Cl5 Cl 0.3889(5) 0.2917(8) 0.8111(4) 0.113(3) Uani 1 d . . . P1 P 0.6846(3) 0.3727(5) 0.8522(2) 0.0464(13) Uani 1 d . . . O1 O 0.2551(12) -0.0185(16) 0.9125(10) 0.105(6) Uani 1 d . . . N1 N 0.2621(10) 0.1795(15) 0.8853(8) 0.067(5) Uani 1 d . . . N2 N 0.1647(15) 0.001(2) 0.9036(12) 0.108(9) Uani 1 d . . . C1 C 0.3028(18) 0.081(3) 0.9018(12) 0.084(7) Uiso 1 d . . . C2 C 0.397(3) 0.067(4) 0.9130(17) 0.139(14) Uiso 1 d . . . C3 C 0.433(3) -0.031(5) 0.901(2) 0.179(18) Uiso 1 d . . . C4 C 0.1204(17) -0.089(2) 0.9106(11) 0.076(7) Uiso 1 d . . . C5 C 0.156(3) -0.213(4) 0.9067(16) 0.136(13) Uiso 1 d . . . C6 C 0.069(2) -0.287(3) 0.8981(15) 0.113(10) Uiso 1 d . . . C7 C 0.049(3) -0.270(4) 0.9516(19) 0.152(15) Uiso 1 d . . . C8 C 0.014(2) -0.137(3) 0.9611(15) 0.121(11) Uiso 1 d . . . C9 C 0.0287(17) -0.097(3) 0.9071(12) 0.085(8) Uiso 1 d . . . C10 C -0.0029(18) -0.196(3) 0.8691(13) 0.094(9) Uiso 1 d . . . C11 C -0.099(3) -0.229(4) 0.8641(18) 0.153(14) Uiso 1 d . . . C12 C 0.007(3) -0.161(4) 0.805(2) 0.175(17) Uiso 1 d . . . C13 C -0.024(2) 0.021(4) 0.8827(17) 0.142(13) Uiso 1 d . . . C27 C 0.6174(3) 0.3282(5) 0.7832(2) 0.052(5) Uiso 1 d . . . C28 C 0.6375(3) 0.1979(5) 0.7719(2) 0.053(5) Uiso 1 d R . . C29 C 0.7112(3) 0.1679(5) 0.7489(2) 0.079(6) Uiso 1 d R . . C30 C 0.7343(3) 0.0507(5) 0.7451(2) 0.081(7) Uiso 1 d R . . C31 C 0.6837(3) -0.0364(5) 0.7642(2) 0.102(9) Uiso 1 d R . . C32 C 0.6101(3) -0.0064(5) 0.7872(2) 0.095(9) Uiso 1 d R . . C33 C 0.5870(3) 0.1108(5) 0.7910(2) 0.073(6) Uiso 1 d R . . C34 C 0.6752(3) 0.2735(5) 0.9079(2) 0.052(5) Uiso 1 d R . . C35 C 0.7190(3) 0.1665(5) 0.9094(2) 0.081(7) Uiso 1 d R . . C36 C 0.7139(3) 0.0865(5) 0.9527(2) 0.105(9) Uiso 1 d R . . C37 C 0.6650(3) 0.1134(5) 0.9946(2) 0.093(8) Uiso 1 d R . . C38 C 0.6212(3) 0.2204(5) 0.9930(2) 0.113(10) Uiso 1 d R . . C39 C 0.6264(3) 0.3004(5) 0.9497(2) 0.066(6) Uiso 1 d R . . C40 C 0.6483(3) 0.5126(5) 0.8740(2) 0.052(5) Uiso 1 d R . . C41 C 0.5611(3) 0.5499(5) 0.8575(2) 0.081(7) Uiso 1 d R . . C42 C 0.5350(3) 0.6570(5) 0.8767(2) 0.097(8) Uiso 1 d R . . C43 C 0.5960(3) 0.7268(5) 0.9125(2) 0.107(10) Uiso 1 d R . . C44 C 0.6831(3) 0.6895(5) 0.9290(2) 0.098(8) Uiso 1 d R . . C45 C 0.7093(3) 0.5824(5) 0.9097(2) 0.088(8) Uiso 1 d R . . C46 C 0.7971(3) 0.3832(5) 0.8418(2) 0.036(4) Uiso 1 d R . . C47 C 0.8165(3) 0.4426(5) 0.7946(2) 0.062(6) Uiso 1 d R . . C48 C 0.9041(3) 0.4574(5) 0.7888(2) 0.087(8) Uiso 1 d R . . C49 C 0.9722(3) 0.4127(5) 0.8301(2) 0.073(6) Uiso 1 d R . . C50 C 0.9529(3) 0.3533(5) 0.8772(2) 0.105(9) Uiso 1 d R . . C51 C 0.8653(3) 0.3386(5) 0.8831(2) 0.073(6) Uiso 1 d R . . Pt2 Pt 0.69163(5) 0.66013(9) 0.62613(3) 0.0488(2) Uani 1 d . . . Cl6 Cl 0.7981(4) 0.6924(6) 0.7062(3) 0.0811(19) Uani 1 d . . . Cl7 Cl 0.5849(3) 0.6359(5) 0.5433(3) 0.0764(18) Uani 1 d . . . Cl8 Cl 0.5836(4) 0.7171(6) 0.6755(3) 0.0802(18) Uani 1 d . . . Cl9 Cl 0.7997(3) 0.6060(6) 0.5750(3) 0.0700(16) Uani 1 d . . . Cl10 Cl 0.6734(5) 0.4671(5) 0.6502(3) 0.0780(17) Uani 1 d . . . P2 P 0.3004(3) 0.6279(4) 0.6474(2) 0.0458(13) Uani 1 d . . . O2 O 0.7257(11) 1.0210(14) 0.5775(9) 0.096(6) Uani 1 d . . . N3 N 0.7210(10) 0.8256(16) 0.6039(9) 0.071(5) Uani 1 d . . . N4 N 0.8170(15) 0.9976(18) 0.5870(15) 0.137(11) Uani 1 d . . . C14 C 0.6816(14) 0.916(2) 0.5844(10) 0.066(6) Uiso 1 d . . . C15 C 0.5831(15) 0.943(2) 0.5689(10) 0.072(7) Uiso 1 d . . . C16 C 0.5477(17) 1.022(3) 0.6085(11) 0.083(7) Uiso 1 d . . . C17 C 0.8617(14) 1.093(2) 0.6001(9) 0.061(6) Uiso 1 d . . . C18 C 0.8306(18) 1.209(3) 0.6136(12) 0.093(8) Uiso 1 d . . . C19 C 0.919(2) 1.273(3) 0.6352(14) 0.105(10) Uiso 1 d . . . C20 C 0.955(2) 1.213(3) 0.6918(15) 0.121(11) Uiso 1 d . . . C21 C 0.987(3) 1.084(4) 0.6732(19) 0.157(16) Uiso 1 d . . . C22 C 0.9611(18) 1.098(3) 0.6149(13) 0.087(8) Uiso 1 d . . . C23 C 0.9692(19) 1.230(3) 0.5984(13) 0.093(8) Uiso 1 d . . . C24 C 1.074(3) 1.258(5) 0.625(2) 0.181(18) Uiso 1 d . . . C25 C 0.948(3) 1.248(5) 0.539(2) 0.20(2) Uiso 1 d . . . C26 C 1.005(3) 1.007(5) 0.579(2) 0.187(19) Uiso 1 d . . . C52 C 0.3650(3) 0.6814(5) 0.7142(2) 0.054(5) Uiso 1 d . . . C53 C 0.3420(3) 0.8031(5) 0.7266(2) 0.061(6) Uiso 1 d R . . C54 C 0.3906(3) 0.8964(5) 0.7111(2) 0.079(7) Uiso 1 d R . . C55 C 0.3639(3) 1.0110(5) 0.7183(2) 0.085(8) Uiso 1 d R . . C56 C 0.2886(3) 1.0324(5) 0.7410(2) 0.097(8) Uiso 1 d R . . C57 C 0.2399(3) 0.9391(5) 0.7565(2) 0.095(8) Uiso 1 d R . . C58 C 0.2666(3) 0.8245(5) 0.7494(2) 0.074(6) Uiso 1 d R . . C59 C 0.1853(3) 0.6106(5) 0.6517(2) 0.049(5) Uiso 1 d R . . C60 C 0.1177(3) 0.6556(5) 0.6101(2) 0.071(6) Uiso 1 d R . . C61 C 0.0304(3) 0.6501(5) 0.6178(2) 0.084(7) Uiso 1 d R . . C62 C 0.0108(3) 0.5996(5) 0.6672(2) 0.073(7) Uiso 1 d R . . C63 C 0.0784(3) 0.5546(5) 0.7087(2) 0.079(7) Uiso 1 d R . . C64 C 0.1657(3) 0.5601(5) 0.7010(2) 0.063(6) Uiso 1 d R . . C65 C 0.3349(3) 0.4871(5) 0.6296(2) 0.044(4) Uiso 1 d R . . C66 C 0.2755(3) 0.4207(5) 0.5909(2) 0.109(10) Uiso 1 d R . . C67 C 0.3012(3) 0.3125(5) 0.5726(2) 0.106(10) Uiso 1 d R . . C68 C 0.3862(3) 0.2707(5) 0.5929(2) 0.099(9) Uiso 1 d R . . C69 C 0.4456(3) 0.3370(5) 0.6316(2) 0.116(10) Uiso 1 d R . . C70 C 0.4199(3) 0.4452(5) 0.6499(2) 0.103(9) Uiso 1 d R . . C71 C 0.3118(3) 0.7288(5) 0.5921(2) 0.044(4) Uiso 1 d R . . C72 C 0.3613(3) 0.6974(5) 0.5512(2) 0.063(6) Uiso 1 d R . . C73 C 0.3697(3) 0.7750(5) 0.5075(2) 0.068(6) Uiso 1 d R . . C74 C 0.3287(3) 0.8841(5) 0.5047(2) 0.079(7) Uiso 1 d R . . C75 C 0.2792(3) 0.9155(5) 0.5456(2) 0.079(7) Uiso 1 d R . . C76 C 0.2707(3) 0.8378(5) 0.5893(2) 0.070(6) Uiso 1 d R . . H1N H 0.2021 0.1695 0.8785 0.080 Uiso 1 d . . . H3N H 0.7814 0.8368 0.6090 0.080 Uiso 1 d . . . H21 H 0.4185 0.0615 0.9574 0.080 Uiso 1 d . . . H22 H 0.4285 0.1276 0.9024 0.080 Uiso 1 d . . . H31 H 0.4981 -0.0323 0.9101 0.080 Uiso 1 d . . . H32 H 0.4108 -0.1016 0.9124 0.080 Uiso 1 d . . . H33 H 0.4210 -0.0344 0.8565 0.080 Uiso 1 d . . . H51 H 0.2032 -0.2332 0.9374 0.080 Uiso 1 d . . . H52 H 0.1875 -0.2173 0.8705 0.080 Uiso 1 d . . . H6 H 0.0650 -0.3641 0.8807 0.080 Uiso 1 d . . . H71 H 0.1043 -0.2880 0.9844 0.080 Uiso 1 d . . . H72 H 0.0072 -0.3309 0.9639 0.080 Uiso 1 d . . . H81 H 0.0479 -0.0890 0.9939 0.080 Uiso 1 d . . . H82 H -0.0490 -0.1294 0.9665 0.080 Uiso 1 d . . . H111 H -0.1175 -0.2590 0.8948 0.080 Uiso 1 d . . . H112 H -0.1374 -0.1833 0.8388 0.080 Uiso 1 d . . . H113 H -0.1036 -0.3126 0.8365 0.080 Uiso 1 d . . . H121 H 0.0701 -0.1476 0.8026 0.080 Uiso 1 d . . . H122 H 0.0028 -0.2489 0.7816 0.080 Uiso 1 d . . . H123 H -0.0311 -0.1196 0.7839 0.080 Uiso 1 d . . . H131 H -0.0145 0.0406 0.8394 0.080 Uiso 1 d . . . H132 H -0.0915 0.0121 0.8721 0.080 Uiso 1 d . . . H133 H -0.0123 0.0916 0.9009 0.080 Uiso 1 d . . . H151 H 0.5490 0.8687 0.5638 0.080 Uiso 1 d . . . H152 H 0.5713 0.9769 0.5296 0.080 Uiso 1 d . . . H161 H 0.4865 1.0357 0.5957 0.080 Uiso 1 d . . . H162 H 0.5577 0.9847 0.6458 0.080 Uiso 1 d . . . H163 H 0.5803 1.0941 0.6112 0.080 Uiso 1 d . . . H181 H 0.7959 1.1977 0.6492 0.080 Uiso 1 d . . . H182 H 0.7904 1.2444 0.5866 0.080 Uiso 1 d . . . H19 H 0.9101 1.3573 0.6415 0.080 Uiso 1 d . . . H201 H 0.9111 1.1982 0.7179 0.080 Uiso 1 d . . . H202 H 1.0050 1.2467 0.7152 0.080 Uiso 1 d . . . H211 H 0.9477 1.0220 0.6878 0.080 Uiso 1 d . . . H212 H 1.0442 1.0683 0.6895 0.080 Uiso 1 d . . . H241 H 1.0977 1.3271 0.6103 0.080 Uiso 1 d . . . H242 H 1.0963 1.2348 0.6590 0.080 Uiso 1 d . . . H243 H 1.1093 1.1934 0.5983 0.080 Uiso 1 d . . . H251 H 0.8823 1.2486 0.5202 0.080 Uiso 1 d . . . H252 H 0.9640 1.3329 0.5257 0.080 Uiso 1 d . . . H253 H 0.9755 1.1987 0.5150 0.080 Uiso 1 d . . . H261 H 1.0012 0.9256 0.5996 0.080 Uiso 1 d . . . H262 H 0.9764 1.0012 0.5438 0.080 Uiso 1 d . . . H263 H 1.0681 1.0189 0.5847 0.080 Uiso 1 d . . . H29 H 0.7452 0.2368 0.7349 0.080 Uiso 1 d . . . H301 H 0.7813 0.0251 0.7271 0.080 Uiso 1 d . . . H312 H 0.7030 -0.1252 0.7642 0.080 Uiso 1 d . . . H321 H 0.5751 -0.0654 0.8023 0.080 Uiso 1 d . . . H33 H 0.5332 0.1359 0.8011 0.080 Uiso 1 d . . . H35 H 0.7442 0.1378 0.8770 0.080 Uiso 1 d . . . H36 H 0.7471 0.0173 0.9608 0.080 Uiso 1 d . . . H37 H 0.6649 0.0545 1.0241 0.080 Uiso 1 d . . . H38 H 0.5853 0.2249 1.0205 0.080 Uiso 1 d . . . H39 H 0.5978 0.3773 0.9488 0.080 Uiso 1 d . . . H41 H 0.5178 0.4948 0.8274 0.080 Uiso 1 d . . . H42 H 0.4747 0.6831 0.8743 0.080 Uiso 1 d . . . H43 H 0.5813 0.8045 0.9179 0.080 Uiso 1 d . . . H44 H 0.7243 0.7313 0.9597 0.080 Uiso 1 d . . . H45 H 0.7714 0.5583 0.9185 0.080 Uiso 1 d . . . H47 H 0.7667 0.4738 0.7666 0.080 Uiso 1 d . . . H48 H 0.9158 0.4976 0.7563 0.080 Uiso 1 d . . . H49 H 1.0318 0.4064 0.8238 0.080 Uiso 1 d . . . H50 H 0.9981 0.3410 0.9143 0.080 Uiso 1 d . . . H51 H 0.8537 0.2771 0.9070 0.080 Uiso 1 d . . . H52 H 0.4104 0.6361 0.7381 0.080 Uiso 1 d . . . H54 H 0.4422 0.8833 0.6918 0.080 Uiso 1 d . . . H55 H 0.4000 1.0789 0.7135 0.080 Uiso 1 d . . . H56 H 0.2653 1.1062 0.7411 0.080 Uiso 1 d . . . H57 H 0.1909 0.9543 0.7720 0.080 Uiso 1 d . . . H58 H 0.2329 0.7671 0.7625 0.080 Uiso 1 d . . . H60 H 0.1306 0.6731 0.5771 0.080 Uiso 1 d . . . H61 H -0.0124 0.6907 0.5905 0.080 Uiso 1 d . . . H62 H -0.0471 0.5858 0.6697 0.080 Uiso 1 d . . . H63 H 0.0668 0.5346 0.7420 0.080 Uiso 1 d . . . H64 H 0.2122 0.5177 0.7251 0.080 Uiso 1 d . . . H66 H 0.2189 0.4474 0.5786 0.080 Uiso 1 d . . . H67 H 0.2656 0.2661 0.5394 0.080 Uiso 1 d . . . H68 H 0.4010 0.1967 0.5825 0.080 Uiso 1 d . . . H69 H 0.4999 0.2993 0.6478 0.080 Uiso 1 d . . . H70 H 0.4656 0.5036 0.6688 0.080 Uiso 1 d . . . H72 H 0.3903 0.6214 0.5542 0.080 Uiso 1 d . . . H73 H 0.4081 0.7544 0.4773 0.080 Uiso 1 d . . . H74 H 0.3349 0.9290 0.4731 0.080 Uiso 1 d . . . H75 H 0.2503 0.9940 0.5447 0.080 Uiso 1 d . . . H76 H 0.2363 0.8603 0.6199 0.080 Uiso 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 0.0431(4) 0.0451(4) 0.0693(5) -0.0069(5) 0.0047(3) 0.0032(4) Cl1 0.074(4) 0.093(5) 0.066(4) -0.015(3) -0.009(3) 0.008(3) Cl2 0.066(3) 0.065(4) 0.088(4) 0.009(4) -0.017(3) -0.002(3) Cl3 0.059(3) 0.094(5) 0.081(4) -0.017(4) 0.017(3) -0.001(3) Cl4 0.110(5) 0.048(3) 0.075(4) -0.003(3) 0.005(3) 0.006(3) Cl5 0.077(4) 0.114(6) 0.162(7) -0.071(6) 0.059(5) -0.020(4) P1 0.046(2) 0.053(3) 0.046(3) -0.008(2) 0.021(2) -0.001(2) O1 0.088(13) 0.069(13) 0.159(19) 0.017(12) 0.026(12) -0.011(10) N1 0.044(8) 0.042(11) 0.113(15) -0.024(11) 0.009(9) 0.005(8) N2 0.069(14) 0.11(2) 0.14(2) 0.004(19) 0.022(14) -0.022(15) Pt2 0.0437(4) 0.0444(4) 0.0567(5) -0.0088(5) 0.0052(3) 0.0018(4) Cl6 0.076(4) 0.084(5) 0.072(4) -0.022(3) -0.015(3) 0.008(3) Cl7 0.056(3) 0.069(4) 0.094(4) -0.011(3) -0.011(3) 0.004(3) Cl8 0.085(4) 0.066(4) 0.100(5) -0.023(4) 0.044(4) -0.009(3) Cl9 0.050(3) 0.084(4) 0.078(4) -0.026(3) 0.014(3) 0.003(3) Cl10 0.115(5) 0.052(4) 0.066(4) 0.007(3) 0.017(3) 0.001(3) P2 0.044(3) 0.038(3) 0.058(3) 0.006(2) 0.014(2) -0.002(2) O2 0.092(12) 0.033(9) 0.167(18) 0.004(11) 0.037(12) -0.007(8) N3 0.047(9) 0.040(11) 0.115(15) 0.006(11) -0.010(9) -0.002(8) N4 0.077(15) 0.033(12) 0.30(4) -0.041(17) 0.044(19) -0.006(11) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 N1 1.944(19) . ? Pt1 Cl4 2.292(6) . ? Pt1 Cl5 2.303(6) . ? Pt1 Cl3 2.312(6) . ? Pt1 Cl2 2.316(5) . ? Pt1 Cl1 2.323(6) . ? P1 C34 1.768(7) . ? P1 C46 1.797(6) . ? P1 C40 1.799(7) . ? P1 C27 1.837(7) . ? O1 N2 1.38(3) . ? O1 C1 1.40(3) . ? N1 C1 1.31(3) . ? N2 C4 1.25(3) . ? C1 C2 1.43(4) . ? C2 C3 1.30(6) . ? C4 C9 1.40(3) . ? C4 C5 1.52(5) . ? C5 C6 1.56(5) . ? C6 C7 1.38(5) . ? C6 C10 1.57(4) . ? C7 C8 1.64(5) . ? C8 C9 1.42(4) . ? C9 C10 1.48(4) . ? C9 C13 1.62(5) . ? C10 C11 1.51(5) . ? C10 C12 1.62(5) . ? C27 C28 1.5508 . ? C28 C29 1.3900 . ? C28 C33 1.3900 . ? C29 C30 1.3900 . ? C30 C31 1.3900 . ? C31 C32 1.3900 . ? C32 C33 1.3900 . ? C34 C35 1.3900 . ? C34 C39 1.3900 . ? C35 C36 1.3900 . ? C36 C37 1.3900 . ? C37 C38 1.3900 . ? C38 C39 1.3900 . ? C40 C41 1.3900 . ? C40 C45 1.3900 . ? C41 C42 1.3900 . ? C42 C43 1.3900 . ? C43 C44 1.3900 . ? C44 C45 1.3900 . ? C46 C47 1.3900 . ? C46 C51 1.3900 . ? C47 C48 1.3900 . ? C48 C49 1.3900 . ? C49 C50 1.3900 . ? C50 C51 1.3900 . ? Pt2 N3 2.034(18) . ? Pt2 Cl6 2.293(6) . ? Pt2 Cl8 2.302(6) . ? Pt2 Cl10 2.305(6) . ? Pt2 Cl9 2.321(5) . ? Pt2 Cl7 2.329(6) . ? P2 C65 1.768(7) . ? P2 C71 1.781(7) . ? P2 C59 1.803(6) . ? P2 C52 1.811(7) . ? O2 N4 1.40(3) . ? O2 C14 1.40(3) . ? N3 C14 1.24(3) . ? N4 C17 1.29(3) . ? C14 C15 1.52(3) . ? C15 C16 1.48(3) . ? C17 C18 1.46(4) . ? C17 C22 1.50(3) . ? C18 C19 1.54(4) . ? C19 C23 1.36(4) . ? C19 C20 1.52(4) . ? C20 C21 1.63(5) . ? C21 C22 1.38(5) . ? C22 C23 1.56(4) . ? C22 C26 1.58(5) . ? C23 C25 1.41(5) . ? C23 C24 1.65(5) . ? C52 C53 1.4765 . ? C53 C54 1.3900 . ? C53 C58 1.3900 . ? C54 C55 1.3900 . ? C55 C56 1.3900 . ? C56 C57 1.3900 . ? C57 C58 1.3900 . ? C59 C60 1.3900 . ? C59 C64 1.3900 . ? C60 C61 1.3900 . ? C61 C62 1.3900 . ? C62 C63 1.3900 . ? C63 C64 1.3900 . ? C65 C66 1.3900 . ? C65 C70 1.3900 . ? C66 C67 1.3900 . ? C67 C68 1.3900 . ? C68 C69 1.3900 . ? C69 C70 1.3900 . ? C71 C72 1.3900 . ? C71 C76 1.3900 . ? C72 C73 1.3900 . ? C73 C74 1.3900 . ? C74 C75 1.3900 . ? C75 C76 1.3900 . ? 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 N1 Pt1 Cl4 173.3(5) . . ? N1 Pt1 Cl5 95.0(6) . . ? Cl4 Pt1 Cl5 89.6(3) . . ? N1 Pt1 Cl3 84.4(5) . . ? Cl4 Pt1 Cl3 91.0(3) . . ? Cl5 Pt1 Cl3 179.3(3) . . ? N1 Pt1 Cl2 94.6(5) . . ? Cl4 Pt1 Cl2 90.3(2) . . ? Cl5 Pt1 Cl2 91.0(3) . . ? Cl3 Pt1 Cl2 89.4(2) . . ? N1 Pt1 Cl1 83.3(5) . . ? Cl4 Pt1 Cl1 92.0(2) . . ? Cl5 Pt1 Cl1 88.3(3) . . ? Cl3 Pt1 Cl1 91.3(2) . . ? Cl2 Pt1 Cl1 177.6(3) . . ? C34 P1 C46 111.3(4) . . ? C34 P1 C40 106.1(3) . . ? C46 P1 C40 109.9(4) . . ? C34 P1 C27 112.3(4) . . ? C46 P1 C27 106.8(3) . . ? C40 P1 C27 110.4(4) . . ? N2 O1 C1 113(2) . . ? C1 N1 Pt1 139.4(16) . . ? C4 N2 O1 114(3) . . ? N1 C1 O1 121(2) . . ? N1 C1 C2 124(3) . . ? O1 C1 C2 115(3) . . ? C3 C2 C1 121(4) . . ? N2 C4 C9 128(3) . . ? N2 C4 C5 122(3) . . ? C9 C4 C5 108(3) . . ? C4 C5 C6 102(3) . . ? C7 C6 C5 98(3) . . ? C7 C6 C10 93(3) . . ? C5 C6 C10 103(3) . . ? C6 C7 C8 113(4) . . ? C9 C8 C7 94(3) . . ? C4 C9 C8 107(3) . . ? C4 C9 C10 107(2) . . ? C8 C9 C10 102(3) . . ? C4 C9 C13 114(3) . . ? C8 C9 C13 116(3) . . ? C10 C9 C13 110(2) . . ? C9 C10 C11 116(3) . . ? C9 C10 C6 96(2) . . ? C11 C10 C6 118(3) . . ? C9 C10 C12 108(3) . . ? C11 C10 C12 105(3) . . ? C6 C10 C12 113(3) . . ? C28 C27 P1 108.8(2) . . ? C29 C28 C33 120.0 . . ? C29 C28 C27 120.6 . . ? C33 C28 C27 119.0 . . ? C30 C29 C28 120.0 . . ? C31 C30 C29 120.0 . . ? C30 C31 C32 120.0 . . ? C33 C32 C31 120.0 . . ? C32 C33 C28 120.0 . . ? C35 C34 C39 120.0 . . ? C35 C34 P1 118.2(2) . . ? C39 C34 P1 121.8(2) . . ? C34 C35 C36 120.0 . . ? C37 C36 C35 120.0 . . ? C36 C37 C38 120.0 . . ? C37 C38 C39 120.0 . . ? C38 C39 C34 120.0 . . ? C41 C40 C45 120.0 . . ? C41 C40 P1 121.7(2) . . ? C45 C40 P1 118.2(2) . . ? C40 C41 C42 120.0 . . ? C43 C42 C41 120.0 . . ? C44 C43 C42 120.0 . . ? C43 C44 C45 120.0 . . ? C44 C45 C40 120.0 . . ? C47 C46 C51 120.0 . . ? C47 C46 P1 120.2(2) . . ? C51 C46 P1 119.7(2) . . ? C48 C47 C46 120.0 . . ? C47 C48 C49 120.0 . . ? C50 C49 C48 120.0 . . ? C51 C50 C49 120.0 . . ? C50 C51 C46 120.0 . . ? N3 Pt2 Cl6 84.7(5) . . ? N3 Pt2 Cl8 95.1(6) . . ? Cl6 Pt2 Cl8 90.1(2) . . ? N3 Pt2 Cl10 173.9(5) . . ? Cl6 Pt2 Cl10 92.8(3) . . ? Cl8 Pt2 Cl10 90.5(2) . . ? N3 Pt2 Cl9 83.9(6) . . ? Cl6 Pt2 Cl9 90.5(2) . . ? Cl8 Pt2 Cl9 178.7(3) . . ? Cl10 Pt2 Cl9 90.5(2) . . ? N3 Pt2 Cl7 92.6(5) . . ? Cl6 Pt2 Cl7 177.3(3) . . ? Cl8 Pt2 Cl7 90.2(2) . . ? Cl10 Pt2 Cl7 89.9(2) . . ? Cl9 Pt2 Cl7 89.1(2) . . ? C65 P2 C71 109.4(4) . . ? C65 P2 C59 104.9(4) . . ? C71 P2 C59 110.3(4) . . ? C65 P2 C52 112.1(4) . . ? C71 P2 C52 108.4(4) . . ? C59 P2 C52 111.6(4) . . ? N4 O2 C14 108.1(17) . . ? C14 N3 Pt2 138.8(16) . . ? C17 N4 O2 110.4(19) . . ? N3 C14 O2 123(2) . . ? N3 C14 C15 130(2) . . ? O2 C14 C15 107(2) . . ? C16 C15 C14 116(2) . . ? N4 C17 C18 129(2) . . ? N4 C17 C22 124(2) . . ? C18 C17 C22 106(2) . . ? C17 C18 C19 101(2) . . ? C23 C19 C20 104(3) . . ? C23 C19 C18 101(3) . . ? C20 C19 C18 103(3) . . ? C19 C20 C21 104(3) . . ? C22 C21 C20 97(3) . . ? C21 C22 C17 109(3) . . ? C21 C22 C23 110(3) . . ? C17 C22 C23 96(2) . . ? C21 C22 C26 113(3) . . ? C17 C22 C26 112(3) . . ? C23 C22 C26 116(3) . . ? C19 C23 C25 123(4) . . ? C19 C23 C22 96(3) . . ? C25 C23 C22 112(4) . . ? C19 C23 C24 108(3) . . ? C25 C23 C24 112(3) . . ? C22 C23 C24 102(3) . . ? C53 C52 P2 112.3(2) . . ? C54 C53 C58 120.0 . . ? C54 C53 C52 120.3 . . ? C58 C53 C52 119.5 . . ? C55 C54 C53 120.0 . . ? C56 C55 C54 120.0 . . ? C55 C56 C57 120.0 . . ? C58 C57 C56 120.0 . . ? C57 C58 C53 120.0 . . ? C60 C59 C64 120.0 . . ? C60 C59 P2 122.0(2) . . ? C64 C59 P2 117.7(2) . . ? C61 C60 C59 120.0 . . ? C62 C61 C60 120.0 . . ? C61 C62 C63 120.0 . . ? C64 C63 C62 120.0 . . ? C63 C64 C59 120.0 . . ? C66 C65 C70 120.0 . . ? C66 C65 P2 117.6(2) . . ? C70 C65 P2 122.3(2) . . ? C65 C66 C67 120.0 . . ? C68 C67 C66 120.0 . . ? C67 C68 C69 120.0 . . ? C68 C69 C70 120.0 . . ? C69 C70 C65 120.0 . . ? C72 C71 C76 120.0 . . ? C72 C71 P2 119.6(2) . . ? C76 C71 P2 120.4(2) . . ? C71 C72 C73 120.0 . . ? C72 C73 C74 120.0 . . ? C75 C74 C73 120.0 . . ? C74 C75 C76 120.0 . . ? C75 C76 C71 120.0 . . ? _diffrn_measured_fraction_theta_max 0.484 _diffrn_reflns_theta_full 24.97 _diffrn_measured_fraction_theta_full 0.484 _refine_diff_density_max 1.399 _refine_diff_density_min -1.260 _refine_diff_density_rms 0.136 #===END