Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2004 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Dr Michael Hon-Wah Lam' _publ_contact_author_address ; Department of Biology & Chemistry City University of Hong Kong Tat Chee Avenue Kowloon HONG KONG ; _publ_contact_author_email BHMHWLAM@CITYU.EDU.HK _publ_section_title ; Design and Synthesis of Heterobimetallic Donor-Acceptor Chemodosimetric Ensembles for the Detection of Sulfhydryl-Containing Amino Acids and Peptides ; loop_ _publ_author_name 'Michael Hon-Wah Lam' 'Cheuk-Fai Chow' 'Hongyan Sui' 'Wai-Yeung Wong' data_wy0906wm _database_code_depnum_ccdc_archive 'CCDC 244982' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C28.50 H33 Cl11 N6 O3 Os Pt2 S2' _chemical_formula_weight 1542.06 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' S S 0.1246 0.1234 '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' Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 13.344(2) _cell_length_b 13.804(2) _cell_length_c 15.468(3) _cell_angle_alpha 74.104(3) _cell_angle_beta 69.098(3) _cell_angle_gamma 75.846(3) _cell_volume 2525.4(7) _cell_formula_units_Z 2 _cell_measurement_temperature 273(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description plate _exptl_crystal_colour brown _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.09 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.028 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1442 _exptl_absorpt_coefficient_mu 8.734 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.5419 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 273(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 'Smart CCD' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 12177 _diffrn_reflns_av_R_equivalents 0.1000 _diffrn_reflns_av_sigmaI/netI 0.2537 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.33 _diffrn_reflns_theta_max 25.00 _reflns_number_total 8654 _reflns_number_gt 3486 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction SAINT _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 full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0665P)^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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8654 _refine_ls_number_parameters 461 _refine_ls_number_restraints 9 _refine_ls_R_factor_all 0.2001 _refine_ls_R_factor_gt 0.0751 _refine_ls_wR_factor_ref 0.1934 _refine_ls_wR_factor_gt 0.1505 _refine_ls_goodness_of_fit_ref 0.872 _refine_ls_restrained_S_all 0.871 _refine_ls_shift/su_max 0.007 _refine_ls_shift/su_mean 0.004 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 0.2545(14) 0.4300(13) 0.1585(13) 0.077(6) Uani 1 1 d . . . H1A H 0.2088 0.4253 0.2206 0.092 Uiso 1 1 calc R . . C2 C 0.2142(15) 0.4943(14) 0.0815(13) 0.094(6) Uani 1 1 d . . . H2A H 0.1443 0.5316 0.0931 0.113 Uiso 1 1 calc R . . C3 C 0.2839(18) 0.4966(16) -0.0074(14) 0.099(7) Uani 1 1 d . . . H3A H 0.2596 0.5359 -0.0576 0.119 Uiso 1 1 calc R . . C4 C 0.390(2) 0.4436(18) -0.0277(14) 0.109(9) Uani 1 1 d . . . H4A H 0.4347 0.4450 -0.0897 0.131 Uiso 1 1 calc R . . C5 C 0.4263(14) 0.3881(13) 0.0490(12) 0.059(5) Uiso 1 1 d . . . C6 C 0.5277(13) 0.3250(11) 0.0378(10) 0.059(5) Uani 1 1 d . . . C7 C 0.6090(17) 0.3166(16) -0.0496(13) 0.095(7) Uani 1 1 d . . . H7A H 0.5908 0.3473 -0.1047 0.114 Uiso 1 1 calc R . . C8 C 0.7095(16) 0.2675(15) -0.0578(14) 0.086(7) Uani 1 1 d . . . H8A H 0.7621 0.2709 -0.1169 0.103 Uiso 1 1 calc R . . C9 C 0.7352(15) 0.2111(14) 0.0228(12) 0.077(7) Uani 1 1 d . . . H9A H 0.8026 0.1703 0.0198 0.092 Uiso 1 1 calc R . . C10 C 0.6488(14) 0.2196(11) 0.1144(11) 0.062(6) Uani 1 1 d . . . H10A H 0.6648 0.1875 0.1703 0.074 Uiso 1 1 calc R . . C11 C 0.5710(13) 0.1886(12) 0.3647(11) 0.055(5) Uani 1 1 d . . . H11A H 0.5761 0.2554 0.3620 0.066 Uiso 1 1 calc R . . C12 C 0.6313(14) 0.1120(14) 0.4092(12) 0.073(6) Uani 1 1 d . . . H12A H 0.6712 0.1270 0.4411 0.088 Uiso 1 1 calc R . . C13 C 0.6346(14) 0.0116(15) 0.4078(13) 0.080(7) Uani 1 1 d . . . H13A H 0.6818 -0.0409 0.4325 0.097 Uiso 1 1 calc R . . C14 C 0.5655(13) -0.0086(13) 0.3685(11) 0.061(6) Uani 1 1 d . . . H14A H 0.5625 -0.0754 0.3692 0.073 Uiso 1 1 calc R . . C15 C 0.4999(13) 0.0738(12) 0.3276(11) 0.052(5) Uani 1 1 d . . . C16 C 0.4237(11) 0.0633(11) 0.2838(10) 0.040(4) Uani 1 1 d . . . C17 C 0.4015(13) -0.0313(12) 0.2831(11) 0.054(5) Uani 1 1 d . . . H17A H 0.4385 -0.0919 0.3095 0.065 Uiso 1 1 calc R . . C18 C 0.3270(15) -0.0334(13) 0.2443(12) 0.073(6) Uani 1 1 d . . . H18A H 0.3084 -0.0952 0.2473 0.088 Uiso 1 1 calc R . . C19 C 0.2788(14) 0.0557(13) 0.2006(11) 0.063(5) Uani 1 1 d . . . H19A H 0.2270 0.0568 0.1729 0.075 Uiso 1 1 calc R . . C20 C 0.3096(15) 0.1427(11) 0.1993(11) 0.066(6) Uani 1 1 d . . . H20A H 0.2777 0.2039 0.1690 0.079 Uiso 1 1 calc R . . C21 C 0.2883(13) 0.2985(10) 0.3465(10) 0.054(4) Uani 1 1 d . . . C22 C 0.4708(14) 0.3964(12) 0.2628(10) 0.053(5) Uani 1 1 d . . . C23 C -0.1933(15) 0.2708(16) 0.5477(14) 0.092(8) Uani 1 1 d . . . H23A H -0.2651 0.2679 0.5917 0.138 Uiso 1 1 calc R . . H23B H -0.1624 0.2057 0.5304 0.138 Uiso 1 1 calc R . . H23C H -0.1971 0.3221 0.4922 0.138 Uiso 1 1 calc R . . C24 C -0.1789(17) 0.4315(16) 0.6127(15) 0.121(9) Uani 1 1 d . . . H24A H -0.2509 0.4295 0.6566 0.182 Uiso 1 1 calc R . . H24B H -0.1832 0.4712 0.5522 0.182 Uiso 1 1 calc R . . H24C H -0.1384 0.4620 0.6355 0.182 Uiso 1 1 calc R . . C25 C 0.6314(19) 0.6288(16) 0.4704(11) 0.122(9) Uani 1 1 d . . . H25A H 0.6668 0.6753 0.4809 0.183 Uiso 1 1 calc R . . H25B H 0.6663 0.5600 0.4876 0.183 Uiso 1 1 calc R . . H25C H 0.5564 0.6363 0.5084 0.183 Uiso 1 1 calc R . . C26 C 0.7823(14) 0.6334(13) 0.2994(15) 0.089(7) Uani 1 1 d . . . H26A H 0.8145 0.6780 0.3160 0.134 Uiso 1 1 calc R . . H26B H 0.7992 0.6467 0.2319 0.134 Uiso 1 1 calc R . . H26C H 0.8108 0.5637 0.3216 0.134 Uiso 1 1 calc R . . C27 C 0.6262(9) 0.8479(8) 0.0940(10) 0.101(8) Uani 1 1 d D . . H27A H 0.5939 0.8197 0.1613 0.121 Uiso 1 1 calc R . . C28 C 0.0167(9) 0.0908(9) 0.8250(11) 0.108(10) Uani 1 1 d D . . H28A H 0.0029 0.1213 0.7643 0.130 Uiso 1 1 calc R . . C29 C 0.9633(14) 0.3200(12) 0.166(4) 0.38(7) Uiso 0.50 1 d PD . . H29A H 1.0213 0.2903 0.1168 0.461 Uiso 0.50 1 calc PR . . H29B H 0.9840 0.3017 0.2232 0.461 Uiso 0.50 1 calc PR . . Cl1 Cl 0.1356(4) 0.1962(4) 0.6029(4) 0.0820(18) Uani 1 1 d . . . Cl2 Cl -0.0145(5) 0.4224(5) 0.3856(4) 0.105(2) Uani 1 1 d . . . Cl3 Cl 0.4503(4) 0.6880(3) 0.2569(3) 0.0678(15) Uani 1 1 d . . . Cl4 Cl 0.6672(5) 0.4123(4) 0.3798(5) 0.125(2) Uani 1 1 d . . . Cl5 Cl 0.7423(7) 0.7628(6) 0.0490(5) 0.152(3) Uani 1 1 d D . . Cl6 Cl 0.5302(5) 0.8656(4) 0.0379(4) 0.108(2) Uani 1 1 d D . . Cl7 Cl 0.6598(6) 0.9657(5) 0.0835(5) 0.144(3) Uani 1 1 d D . . Cl8 Cl -0.0812(6) 0.0164(6) 0.8985(5) 0.147(3) Uani 1 1 d D . . Cl9 Cl 0.0195(7) 0.1860(7) 0.8783(6) 0.193(4) Uani 1 1 d D . . Cl10 Cl 0.1460(7) 0.0172(9) 0.8070(6) 0.220(6) Uani 1 1 d D . . Cl11 Cl 0.9326(13) 0.4551(9) 0.1294(14) 0.202(8) Uiso 0.50 1 d PD . . Cl12 Cl 0.8384(11) 0.2796(10) 0.1868(11) 0.164(6) Uiso 0.50 1 d PD . . N1 N 0.3571(11) 0.3773(10) 0.1410(9) 0.058(4) Uani 1 1 d . . . N2 N 0.5503(9) 0.2709(9) 0.1195(8) 0.038(3) Uiso 1 1 d . . . N3 N 0.5051(9) 0.1738(9) 0.3250(8) 0.041(3) Uani 1 1 d . . . N4 N 0.3824(12) 0.1467(10) 0.2382(9) 0.059(4) Uani 1 1 d . . . N5 N 0.1993(12) 0.3052(10) 0.4093(9) 0.060(5) Uani 1 1 d . . . N6 N 0.4984(10) 0.4623(10) 0.2764(8) 0.047(4) Uiso 1 1 d . . . O1 O -0.1211(11) 0.2237(14) 0.6904(11) 0.130(8) Uani 1 1 d . . . O2 O 0.6043(10) 0.7666(7) 0.3243(9) 0.084(4) Uani 1 1 d . . . O3 O 0.1208(13) 1.0240(12) 0.4570(10) 0.121(6) Uiso 1 1 d . . . Os1 Os 0.42244(5) 0.28369(5) 0.24321(4) 0.04042(18) Uani 1 1 d . . . Pt1 Pt 0.05460(6) 0.30827(5) 0.49939(5) 0.0558(2) Uani 1 1 d . . . Pt2 Pt 0.56306(6) 0.55427(5) 0.31617(4) 0.0485(2) Uani 1 1 d . . . S1 S -0.1106(4) 0.3018(4) 0.6009(3) 0.0731(18) Uani 1 1 d . . . S2 S 0.6402(4) 0.6552(3) 0.3521(3) 0.0647(14) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.087(12) 0.087(11) 0.089(11) -0.034(9) -0.035(10) -0.044(11) C2 0.126(11) 0.074(12) 0.141(13) 0.028(10) -0.118(10) -0.060(10) C3 0.162(17) 0.097(15) 0.073(12) 0.008(11) -0.066(12) -0.070(14) C4 0.17(2) 0.118(18) 0.063(12) -0.003(12) -0.043(14) -0.071(17) C6 0.062(10) 0.072(9) 0.060(9) -0.037(7) 0.007(8) -0.055(8) C7 0.154(16) 0.103(15) 0.060(11) 0.016(10) -0.056(11) -0.081(14) C8 0.088(13) 0.092(13) 0.094(14) -0.023(11) -0.018(12) -0.057(12) C9 0.052(11) 0.085(12) 0.084(12) -0.043(10) 0.026(10) -0.037(10) C10 0.112(13) 0.035(8) 0.045(9) 0.002(7) -0.014(9) -0.052(9) C11 0.059(11) 0.034(9) 0.068(10) -0.009(8) -0.025(9) 0.009(9) C12 0.045(10) 0.092(13) 0.094(12) -0.047(10) -0.028(9) 0.010(11) C13 0.056(11) 0.068(13) 0.109(14) -0.010(11) -0.049(10) 0.032(11) C14 0.038(10) 0.053(10) 0.083(11) -0.032(9) -0.013(9) 0.017(9) C15 0.035(9) 0.042(9) 0.063(10) -0.013(8) 0.003(8) 0.000(8) C16 0.021(8) 0.058(9) 0.047(8) -0.021(7) -0.005(7) -0.012(8) C17 0.065(11) 0.034(9) 0.067(10) -0.006(8) -0.026(9) -0.009(9) C18 0.122(13) 0.052(9) 0.079(11) -0.010(8) -0.054(10) -0.045(10) C19 0.066(10) 0.080(11) 0.070(10) -0.026(8) -0.032(9) -0.033(10) C20 0.107(14) 0.031(8) 0.077(10) -0.031(7) -0.052(10) 0.014(9) C21 0.116(11) 0.007(6) 0.072(9) 0.018(6) -0.079(8) -0.024(8) C22 0.080(11) 0.052(8) 0.037(8) -0.013(7) -0.011(8) -0.036(9) C23 0.074(13) 0.102(15) 0.108(15) -0.023(12) -0.026(12) -0.030(13) C24 0.104(17) 0.116(16) 0.137(18) -0.055(14) 0.025(15) -0.068(14) C25 0.24(2) 0.117(15) 0.054(10) -0.029(10) -0.073(12) -0.048(17) C26 0.078(13) 0.028(9) 0.168(18) -0.015(10) -0.056(13) 0.003(10) C27 0.15(2) 0.082(12) 0.087(13) -0.037(10) -0.031(14) -0.032(14) C28 0.082(15) 0.14(2) 0.087(15) -0.004(15) -0.027(13) -0.009(16) Cl1 0.079(3) 0.080(3) 0.083(3) -0.001(3) -0.033(3) -0.012(3) Cl2 0.086(4) 0.118(5) 0.091(4) 0.020(4) -0.037(3) -0.011(4) Cl3 0.084(3) 0.042(2) 0.087(3) -0.010(2) -0.043(3) -0.008(2) Cl4 0.185(5) 0.034(3) 0.210(5) -0.002(3) -0.148(4) -0.012(3) Cl5 0.199(7) 0.129(6) 0.130(5) -0.038(4) -0.066(5) 0.003(6) Cl6 0.156(5) 0.091(4) 0.096(4) -0.014(3) -0.043(4) -0.052(4) Cl7 0.171(5) 0.140(4) 0.153(5) -0.052(4) -0.020(5) -0.106(4) Cl8 0.144(5) 0.186(6) 0.137(5) -0.059(4) -0.018(5) -0.082(5) Cl9 0.196(8) 0.249(9) 0.170(7) -0.063(6) -0.035(6) -0.111(7) Cl10 0.152(7) 0.301(14) 0.144(7) 0.013(8) -0.048(6) 0.011(9) N1 0.057(8) 0.061(7) 0.071(8) -0.034(6) -0.011(7) -0.031(7) N3 0.038(7) 0.056(7) 0.049(6) -0.038(5) -0.012(6) -0.012(6) N4 0.076(10) 0.058(8) 0.044(7) -0.027(6) 0.004(7) -0.030(8) N5 0.091(10) 0.034(7) 0.051(8) -0.002(6) -0.035(7) 0.007(8) O1 0.067(9) 0.152(15) 0.116(12) 0.056(11) -0.023(9) -0.026(10) O2 0.137(9) 0.019(5) 0.131(9) 0.003(6) -0.089(8) -0.025(6) Os1 0.0522(4) 0.0355(3) 0.0403(3) -0.0141(2) -0.0149(3) -0.0114(3) Pt1 0.0498(4) 0.0535(4) 0.0614(4) -0.0153(3) -0.0138(4) -0.0051(4) Pt2 0.0674(4) 0.0380(3) 0.0554(4) -0.0117(3) -0.0308(3) -0.0159(3) S1 0.059(3) 0.076(3) 0.068(3) -0.013(3) -0.015(3) 0.008(3) S2 0.089(3) 0.046(2) 0.085(3) -0.013(2) -0.054(2) -0.016(2) _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 N1 1.35(2) . ? C1 C2 1.46(2) . ? C2 C3 1.36(2) . ? C3 C4 1.39(3) . ? C4 C5 1.40(3) . ? C5 N1 1.383(19) . ? C5 C6 1.40(2) . ? C6 N2 1.375(19) . ? C6 C7 1.41(2) . ? C7 C8 1.32(3) . ? C8 C9 1.39(3) . ? C9 C10 1.49(2) . ? C10 N2 1.32(2) . ? C11 N3 1.32(2) . ? C11 C12 1.35(2) . ? C12 C13 1.38(3) . ? C13 C14 1.38(3) . ? C14 C15 1.41(2) . ? C15 N3 1.388(19) . ? C15 C16 1.46(2) . ? C16 N4 1.285(18) . ? C16 C17 1.41(2) . ? C17 C18 1.34(2) . ? C18 C19 1.36(2) . ? C19 C20 1.35(2) . ? C20 N4 1.33(2) . ? C21 N5 1.239(19) . ? C21 Os1 1.938(16) . ? C22 N6 1.16(2) . ? C22 Os1 1.953(17) . ? C23 S1 1.77(2) . ? C24 S1 1.83(2) . ? C25 S2 1.732(17) . ? C26 S2 1.762(18) . ? C27 Cl6 1.726(13) . ? C27 Cl7 1.742(12) . ? C27 Cl5 1.746(11) . ? C28 Cl8 1.736(12) . ? C28 Cl10 1.744(12) . ? C28 Cl9 1.747(14) . ? C29 Cl12 1.778(17) . ? C29 Cl11 1.783(16) . ? Cl1 Pt1 2.277(5) . ? Cl2 Pt1 2.315(6) . ? Cl3 Pt2 2.283(4) . ? Cl4 Pt2 2.309(5) . ? N1 Os1 2.060(14) . ? N2 Os1 2.076(11) . ? N3 Os1 2.061(12) . ? N4 Os1 2.114(14) . ? N5 Pt1 1.935(14) . ? N6 Pt2 2.018(15) . ? O1 S1 1.489(15) . ? O2 S2 1.484(11) . ? Pt1 S1 2.210(5) . ? Pt2 S2 2.200(5) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 C1 C2 121.2(16) . . ? C3 C2 C1 116.6(17) . . ? C2 C3 C4 124(2) . . ? C3 C4 C5 117.3(18) . . ? N1 C5 C6 114.6(15) . . ? N1 C5 C4 121.7(16) . . ? C6 C5 C4 122.7(16) . . ? N2 C6 C5 116.3(13) . . ? N2 C6 C7 118.3(15) . . ? C5 C6 C7 125.3(16) . . ? C8 C7 C6 124.0(19) . . ? C7 C8 C9 119.1(18) . . ? C8 C9 C10 116.1(17) . . ? N2 C10 C9 122.5(15) . . ? N3 C11 C12 123.5(17) . . ? C11 C12 C13 120.7(19) . . ? C14 C13 C12 118.0(16) . . ? C13 C14 C15 118.7(17) . . ? N3 C15 C14 121.0(17) . . ? N3 C15 C16 114.7(13) . . ? C14 C15 C16 124.3(16) . . ? N4 C16 C17 120.3(16) . . ? N4 C16 C15 115.5(15) . . ? C17 C16 C15 124.0(14) . . ? C18 C17 C16 119.8(15) . . ? C17 C18 C19 119.4(17) . . ? C20 C19 C18 117.0(18) . . ? N4 C20 C19 124.7(15) . . ? N5 C21 Os1 175.5(15) . . ? N6 C22 Os1 178.5(13) . . ? Cl6 C27 Cl7 109.0(7) . . ? Cl6 C27 Cl5 112.1(8) . . ? Cl7 C27 Cl5 110.7(7) . . ? Cl8 C28 Cl10 110.2(8) . . ? Cl8 C28 Cl9 110.9(8) . . ? Cl10 C28 Cl9 104.9(9) . . ? Cl12 C29 Cl11 102.8(11) . . ? C1 N1 C5 119.2(15) . . ? C1 N1 Os1 124.7(11) . . ? C5 N1 Os1 116.0(11) . . ? C10 N2 C6 119.4(12) . . ? C10 N2 Os1 125.7(10) . . ? C6 N2 Os1 114.9(9) . . ? C11 N3 C15 117.8(13) . . ? C11 N3 Os1 126.7(10) . . ? C15 N3 Os1 115.0(11) . . ? C16 N4 C20 118.4(15) . . ? C16 N4 Os1 117.0(13) . . ? C20 N4 Os1 124.2(10) . . ? C21 N5 Pt1 173.5(15) . . ? C22 N6 Pt2 168.2(13) . . ? C21 Os1 C22 92.0(6) . . ? C21 Os1 N1 94.6(5) . . ? C22 Os1 N1 92.6(6) . . ? C21 Os1 N3 94.6(5) . . ? C22 Os1 N3 93.7(6) . . ? N1 Os1 N3 168.7(4) . . ? C21 Os1 N2 170.9(6) . . ? C22 Os1 N2 93.1(5) . . ? N1 Os1 N2 77.6(5) . . ? N3 Os1 N2 92.7(4) . . ? C21 Os1 N4 87.8(5) . . ? C22 Os1 N4 170.7(6) . . ? N1 Os1 N4 96.6(5) . . ? N3 Os1 N4 77.1(5) . . ? N2 Os1 N4 88.5(5) . . ? N5 Pt1 S1 176.2(4) . . ? N5 Pt1 Cl1 85.9(4) . . ? S1 Pt1 Cl1 93.16(18) . . ? N5 Pt1 Cl2 89.7(4) . . ? S1 Pt1 Cl2 91.26(19) . . ? Cl1 Pt1 Cl2 175.58(19) . . ? N6 Pt2 S2 176.9(3) . . ? N6 Pt2 Cl3 87.3(4) . . ? S2 Pt2 Cl3 92.70(18) . . ? N6 Pt2 Cl4 89.5(4) . . ? S2 Pt2 Cl4 90.7(2) . . ? Cl3 Pt2 Cl4 175.9(2) . . ? O1 S1 C23 104.1(11) . . ? O1 S1 C24 116.3(10) . . ? C23 S1 C24 99.4(11) . . ? O1 S1 Pt1 117.1(6) . . ? C23 S1 Pt1 109.3(6) . . ? C24 S1 Pt1 108.8(7) . . ? O2 S2 C25 107.5(9) . . ? O2 S2 C26 106.2(8) . . ? C25 S2 C26 100.6(11) . . ? O2 S2 Pt2 116.4(6) . . ? C25 S2 Pt2 114.0(8) . . ? C26 S2 Pt2 110.7(7) . . ? _diffrn_measured_fraction_theta_max 0.973 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.973 _refine_diff_density_max 2.386 _refine_diff_density_min -1.898 _refine_diff_density_rms 0.250 data_wy0818wm _database_code_depnum_ccdc_archive 'CCDC 244983' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C27 H36 Cl5 N6 O5 Pt2 Ru S2' _chemical_formula_weight 1257.24 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' S S 0.1246 0.1234 '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' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 14.5510(11) _cell_length_b 16.3438(12) _cell_length_c 20.4221(15) _cell_angle_alpha 90.900(2) _cell_angle_beta 92.6500(10) _cell_angle_gamma 113.5610(10) _cell_volume 4444.0(6) _cell_formula_units_Z 4 _cell_measurement_temperature 273(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max 0.31 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.16 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.879 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2388 _exptl_absorpt_coefficient_mu 7.048 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.5376 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 273(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 'Smart CCD' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22090 _diffrn_reflns_av_R_equivalents 0.0476 _diffrn_reflns_av_sigmaI/netI 0.1220 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.87 _diffrn_reflns_theta_max 25.00 _reflns_number_total 15349 _reflns_number_gt 7984 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction SAINT _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 full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0810P)^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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 15349 _refine_ls_number_parameters 830 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.1410 _refine_ls_R_factor_gt 0.0608 _refine_ls_wR_factor_ref 0.1801 _refine_ls_wR_factor_gt 0.1414 _refine_ls_goodness_of_fit_ref 0.965 _refine_ls_restrained_S_all 0.965 _refine_ls_shift/su_max 0.005 _refine_ls_shift/su_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_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 0.0328(12) 0.7436(13) 0.6208(7) 0.062(5) Uani 1 1 d . . . H1A H 0.0914 0.7956 0.6238 0.075 Uiso 1 1 calc R . . C2 C 0.0257(18) 0.6768(16) 0.5776(9) 0.084(6) Uani 1 1 d . . . H2A H 0.0775 0.6851 0.5500 0.100 Uiso 1 1 calc R . . C3 C -0.058(2) 0.5959(16) 0.5744(10) 0.092(7) Uani 1 1 d . . . H3A H -0.0621 0.5482 0.5474 0.110 Uiso 1 1 calc R . . C4 C -0.1323(14) 0.5907(12) 0.6117(9) 0.069(5) Uani 1 1 d . . . H4A H -0.1914 0.5392 0.6094 0.083 Uiso 1 1 calc R . . C5 C -0.1229(14) 0.6618(13) 0.6549(8) 0.070(5) Uani 1 1 d . . . C6 C -0.2032(12) 0.6575(12) 0.7025(8) 0.059(4) Uani 1 1 d . . . C7 C -0.2960(15) 0.5822(13) 0.7047(9) 0.087(6) Uani 1 1 d . . . H7A H -0.3079 0.5306 0.6796 0.104 Uiso 1 1 calc R . . C8 C -0.3673(17) 0.5864(18) 0.7440(13) 0.120(9) Uani 1 1 d . . . H8A H -0.4302 0.5396 0.7451 0.144 Uiso 1 1 calc R . . C9 C -0.3421(19) 0.661(2) 0.7811(12) 0.122(9) Uani 1 1 d . . . H9A H -0.3873 0.6670 0.8098 0.146 Uiso 1 1 calc R . . C10 C -0.2497(18) 0.7300(16) 0.7768(10) 0.095(6) Uani 1 1 d . . . H10A H -0.2349 0.7801 0.8043 0.114 Uiso 1 1 calc R . . C11 C -0.1498(10) 0.8519(11) 0.5886(8) 0.057(4) Uani 1 1 d . . . H11A H -0.1257 0.8113 0.5723 0.068 Uiso 1 1 calc R . . C12 C -0.2075(12) 0.8829(14) 0.5468(9) 0.076(6) Uani 1 1 d . . . H12A H -0.2189 0.8654 0.5026 0.091 Uiso 1 1 calc R . . C13 C -0.2466(13) 0.9393(14) 0.5723(11) 0.086(6) Uani 1 1 d . . . H13A H -0.2877 0.9579 0.5457 0.103 Uiso 1 1 calc R . . C14 C -0.2259(12) 0.9684(12) 0.6362(10) 0.073(5) Uani 1 1 d . . . H14A H -0.2508 1.0081 0.6533 0.087 Uiso 1 1 calc R . . C15 C -0.1656(11) 0.9367(11) 0.6761(8) 0.055(4) Uani 1 1 d . . . C16 C -0.1354(13) 0.9652(11) 0.7479(8) 0.061(4) Uani 1 1 d . . . C17 C -0.1694(15) 1.0237(13) 0.7782(9) 0.081(6) Uani 1 1 d . . . H17A H -0.2108 1.0471 0.7569 0.097 Uiso 1 1 calc R . . C18 C -0.1344(17) 1.0443(15) 0.8451(11) 0.097(7) Uani 1 1 d . . . H18A H -0.1546 1.0822 0.8693 0.117 Uiso 1 1 calc R . . C19 C -0.0750(16) 1.0118(13) 0.8739(9) 0.083(6) Uani 1 1 d . . . H19A H -0.0517 1.0278 0.9173 0.100 Uiso 1 1 calc R . . C20 C -0.0477(14) 0.9537(13) 0.8389(8) 0.076(5) Uani 1 1 d . . . H20A H -0.0071 0.9296 0.8603 0.091 Uiso 1 1 calc R . . C21 C 0.0247(12) 0.8055(11) 0.7933(8) 0.059(4) Uani 1 1 d . . . C22 C 0.0811(13) 0.9302(11) 0.6964(8) 0.058(4) Uani 1 1 d . . . C23 C 0.3276(15) 0.8972(15) 1.0253(9) 0.106(8) Uani 1 1 d . . . H23A H 0.3668 0.8984 1.0647 0.159 Uiso 1 1 calc R . . H23B H 0.2961 0.9383 1.0305 0.159 Uiso 1 1 calc R . . H23C H 0.3705 0.9142 0.9892 0.159 Uiso 1 1 calc R . . C24 C 0.311(2) 0.7326(18) 1.0028(13) 0.175(15) Uani 1 1 d . . . H24A H 0.3482 0.7362 1.0437 0.263 Uiso 1 1 calc R . . H24B H 0.3570 0.7567 0.9690 0.263 Uiso 1 1 calc R . . H24C H 0.2688 0.6712 0.9917 0.263 Uiso 1 1 calc R . . C25 C 0.5025(12) 1.2360(13) 0.6593(9) 0.087(6) Uani 1 1 d . . . H25A H 0.5620 1.2740 0.6388 0.131 Uiso 1 1 calc R . . H25B H 0.5209 1.2084 0.6959 0.131 Uiso 1 1 calc R . . H25C H 0.4676 1.2710 0.6743 0.131 Uiso 1 1 calc R . . C26 C 0.5101(14) 1.1040(15) 0.5856(10) 0.103(7) Uani 1 1 d . . . H26A H 0.5690 1.1473 0.5677 0.155 Uiso 1 1 calc R . . H26B H 0.4779 1.0551 0.5544 0.155 Uiso 1 1 calc R . . H26C H 0.5289 1.0822 0.6252 0.155 Uiso 1 1 calc R . . C27 C 0.2285(14) 0.6159(13) 0.2072(9) 0.076(5) Uani 1 1 d . . . H27A H 0.2819 0.6716 0.2106 0.091 Uiso 1 1 calc R . . C28 C 0.2317(18) 0.5517(17) 0.1641(10) 0.096(7) Uani 1 1 d . . . H28A H 0.2854 0.5651 0.1372 0.116 Uiso 1 1 calc R . . C29 C 0.1550(19) 0.4672(14) 0.1607(11) 0.094(7) Uani 1 1 d . . . H29A H 0.1570 0.4222 0.1332 0.113 Uiso 1 1 calc R . . C30 C 0.0782(16) 0.4529(14) 0.1985(10) 0.082(6) Uani 1 1 d . . . H30A H 0.0245 0.3973 0.1969 0.099 Uiso 1 1 calc R . . C31 C 0.0782(12) 0.5178(12) 0.2386(9) 0.061(5) Uani 1 1 d . . . C32 C -0.0046(12) 0.5038(12) 0.2835(8) 0.059(4) Uani 1 1 d . . . C33 C -0.0852(14) 0.4236(12) 0.2863(9) 0.079(6) Uani 1 1 d . . . H33A H -0.0913 0.3752 0.2593 0.095 Uiso 1 1 calc R . . C34 C -0.1586(13) 0.4163(13) 0.3310(10) 0.078(6) Uani 1 1 d . . . H34A H -0.2157 0.3637 0.3329 0.094 Uiso 1 1 calc R . . C35 C -0.1445(13) 0.4853(14) 0.3699(10) 0.080(6) Uani 1 1 d . . . H35A H -0.1901 0.4805 0.4016 0.096 Uiso 1 1 calc R . . C36 C -0.0616(13) 0.5661(12) 0.3642(9) 0.071(5) Uani 1 1 d . . . H36A H -0.0550 0.6144 0.3915 0.085 Uiso 1 1 calc R . . C37 C 0.0274(14) 0.7018(14) 0.1737(9) 0.082(6) Uani 1 1 d . . . H37A H 0.0610 0.6695 0.1560 0.098 Uiso 1 1 calc R . . C38 C -0.0365(19) 0.7258(19) 0.1327(9) 0.122(9) Uani 1 1 d . . . H38A H -0.0415 0.7132 0.0878 0.146 Uiso 1 1 calc R . . C39 C -0.0918(17) 0.7679(17) 0.1585(13) 0.108(8) Uani 1 1 d . . . H39A H -0.1375 0.7815 0.1324 0.130 Uiso 1 1 calc R . . C40 C -0.0777(16) 0.7880(16) 0.2212(10) 0.101(8) Uani 1 1 d . . . H40A H -0.1135 0.8175 0.2400 0.121 Uiso 1 1 calc R . . C41 C -0.0119(13) 0.7670(12) 0.2601(8) 0.058(4) Uani 1 1 d . . . C42 C 0.0162(12) 0.7989(11) 0.3285(9) 0.068(5) Uani 1 1 d . . . C43 C -0.0291(13) 0.8485(13) 0.3626(9) 0.074(5) Uani 1 1 d . . . H43A H -0.0786 0.8627 0.3416 0.088 Uiso 1 1 calc R . . C44 C 0.0009(16) 0.8744(13) 0.4257(10) 0.080(6) Uani 1 1 d . . . H44A H -0.0276 0.9068 0.4491 0.096 Uiso 1 1 calc R . . C45 C 0.0731(16) 0.8525(12) 0.4544(10) 0.083(6) Uani 1 1 d . . . H45A H 0.0952 0.8711 0.4977 0.100 Uiso 1 1 calc R . . C46 C 0.1134(13) 0.8043(12) 0.4216(8) 0.064(5) Uani 1 1 d . . . H46A H 0.1631 0.7905 0.4426 0.077 Uiso 1 1 calc R . . C47 C 0.2116(11) 0.6663(11) 0.3755(8) 0.056(4) Uani 1 1 d . . . C48 C 0.2550(14) 0.7951(12) 0.2785(8) 0.058(4) Uani 1 1 d . . . C49 C 0.5076(15) 0.7749(13) 0.6146(10) 0.103(7) Uani 1 1 d . . . H49A H 0.5501 0.7770 0.6526 0.155 Uiso 1 1 calc R . . H49B H 0.4588 0.7975 0.6265 0.155 Uiso 1 1 calc R . . H49C H 0.5476 0.8109 0.5814 0.155 Uiso 1 1 calc R . . C50 C 0.5502(13) 0.6420(14) 0.5663(9) 0.085(6) Uani 1 1 d . . . H50A H 0.5905 0.6468 0.6059 0.128 Uiso 1 1 calc R . . H50B H 0.5894 0.6845 0.5359 0.128 Uiso 1 1 calc R . . H50C H 0.5281 0.5828 0.5472 0.128 Uiso 1 1 calc R . . C51 C 0.6588(15) 1.1097(15) 0.2340(11) 0.124(9) Uani 1 1 d . . . H51A H 0.7175 1.1498 0.2138 0.186 Uiso 1 1 calc R . . H51B H 0.6787 1.0823 0.2700 0.186 Uiso 1 1 calc R . . H51C H 0.6217 1.1424 0.2498 0.186 Uiso 1 1 calc R . . C52 C 0.6699(16) 0.9819(17) 0.1629(12) 0.135(9) Uani 1 1 d . . . H52A H 0.7279 1.0251 0.1440 0.202 Uiso 1 1 calc R . . H52B H 0.6387 0.9312 0.1331 0.202 Uiso 1 1 calc R . . H52C H 0.6901 0.9631 0.2034 0.202 Uiso 1 1 calc R . . C53 C 0.6741(17) 0.628(3) 0.4100(9) 0.213(18) Uani 1 1 d D . . H53A H 0.6243 0.5722 0.4242 0.256 Uiso 1 1 calc R . . H53B H 0.6461 0.6727 0.4121 0.256 Uiso 1 1 calc R . . C54 C 0.346(4) 0.580(3) 0.795(3) 0.29(2) Uiso 1 1 d . . . Cl1 Cl 0.1084(6) 0.9003(5) 0.9658(3) 0.139(3) Uani 1 1 d . . . Cl2 Cl 0.1862(5) 0.6837(4) 0.8683(3) 0.1029(19) Uani 1 1 d . . . Cl3 Cl 0.2837(4) 1.1729(4) 0.7146(4) 0.130(3) Uani 1 1 d . . . Cl4 Cl 0.2819(5) 0.9490(4) 0.5799(3) 0.115(2) Uani 1 1 d . . . Cl5 Cl 0.2925(4) 0.7518(4) 0.5459(3) 0.1042(19) Uani 1 1 d . . . Cl6 Cl 0.3958(4) 0.5557(4) 0.4442(3) 0.0947(17) Uani 1 1 d . . . Cl7 Cl 0.4341(5) 1.0487(4) 0.2804(4) 0.125(2) Uani 1 1 d . . . Cl8 Cl 0.4572(4) 0.8168(4) 0.1654(2) 0.0816(14) Uani 1 1 d . . . Cl9 Cl 0.7003(13) 0.6144(9) 0.3309(6) 0.303(8) Uani 1 1 d D . . Cl10 Cl 0.7819(7) 0.6612(6) 0.4627(4) 0.159(3) Uani 1 1 d D . . N1 N -0.0415(9) 0.7369(8) 0.6589(6) 0.046(3) Uani 1 1 d . . . N2 N -0.1810(10) 0.7315(9) 0.7379(6) 0.057(3) Uani 1 1 d . . . N3 N -0.1295(8) 0.8794(9) 0.6503(6) 0.051(3) Uani 1 1 d . . . N4 N -0.0757(9) 0.9297(8) 0.7763(6) 0.056(3) Uani 1 1 d . . . N5 N 0.0668(10) 0.7937(9) 0.8389(6) 0.060(4) Uani 1 1 d . . . N6 N 0.1587(11) 0.9826(10) 0.6783(7) 0.076(4) Uani 1 1 d . . . N7 N 0.1514(9) 0.6002(9) 0.2437(6) 0.059(4) Uani 1 1 d . . . N8 N 0.0070(9) 0.5767(9) 0.3221(6) 0.053(3) Uani 1 1 d . . . N9 N 0.0409(9) 0.7232(9) 0.2356(6) 0.058(4) Uani 1 1 d . . . N10 N 0.0846(9) 0.7763(8) 0.3606(6) 0.053(3) Uani 1 1 d . . . N11 N 0.2550(9) 0.6510(9) 0.4185(7) 0.063(4) Uani 1 1 d . . . N12 N 0.3258(10) 0.8519(9) 0.2605(6) 0.058(4) Uani 1 1 d . . . O1 O 0.1811(12) 0.7637(13) 1.0674(6) 0.146(7) Uani 1 1 d . . . O2 O 0.4094(9) 1.1953(8) 0.5449(5) 0.077(4) Uani 1 1 d . . . O3 O 0.3966(11) 0.6074(11) 0.6371(6) 0.123(6) Uani 1 1 d . . . O4 O 0.5647(9) 1.0678(10) 0.1186(6) 0.103(5) Uani 1 1 d . . . O5 O 0.403(3) 0.582(2) 0.8617(17) 0.292(15) Uiso 1 1 d . . . O6 O 0.559(3) 0.644(3) 0.154(2) 0.42(2) Uiso 1 1 d . . . O7 O 0.815(2) 0.7069(17) 0.9648(12) 0.228(11) Uiso 1 1 d . . . O8 O 0.7769(14) 0.5344(13) 0.1885(8) 0.147(6) Uiso 1 1 d . . . O9 O 0.956(2) 0.529(2) 0.0198(14) 0.270(13) Uiso 1 1 d . . . O10 O 0.380(3) 0.151(2) 0.1079(17) 0.330(17) Uiso 1 1 d . . . Pt1 Pt 0.14829(5) 0.79036(5) 0.91943(3) 0.0621(2) Uani 1 1 d . . . Pt2 Pt 0.28617(5) 1.06331(5) 0.64507(3) 0.0621(2) Uani 1 1 d . . . Pt3 Pt 0.34667(5) 0.65497(4) 0.49680(3) 0.05350(19) Uani 1 1 d . . . Pt4 Pt 0.44920(5) 0.93526(5) 0.22229(3) 0.0588(2) Uani 1 1 d . . . Ru1 Ru -0.04736(9) 0.83638(9) 0.72030(6) 0.0472(3) Uani 1 1 d . . . Ru2 Ru 0.13187(9) 0.69291(9) 0.30490(6) 0.0495(3) Uani 1 1 d . . . S1 S 0.2381(4) 0.7925(4) 1.0103(2) 0.0825(16) Uani 1 1 d . . . S2 S 0.4257(3) 1.1547(3) 0.6034(2) 0.0641(12) Uani 1 1 d . . . S3 S 0.4458(3) 0.6640(3) 0.5844(2) 0.0645(12) Uani 1 1 d . . . S4 S 0.5855(4) 1.0295(4) 0.1780(2) 0.0795(15) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.038(10) 0.098(15) 0.044(9) -0.001(10) -0.003(8) 0.021(10) C2 0.114(19) 0.103(18) 0.061(12) 0.015(13) 0.033(12) 0.069(16) C3 0.12(2) 0.081(17) 0.105(16) -0.002(14) 0.006(15) 0.076(17) C4 0.066(13) 0.056(12) 0.088(13) -0.018(10) -0.009(11) 0.029(10) C5 0.080(14) 0.073(14) 0.065(11) 0.025(11) -0.006(10) 0.040(12) C6 0.053(11) 0.069(13) 0.052(10) 0.007(9) 0.009(8) 0.022(10) C7 0.069(14) 0.065(14) 0.093(14) 0.009(11) 0.024(12) -0.011(11) C8 0.057(15) 0.12(2) 0.14(2) 0.007(18) 0.024(15) -0.016(14) C9 0.09(2) 0.15(3) 0.106(19) -0.006(18) 0.028(15) 0.018(18) C10 0.087(17) 0.095(18) 0.090(15) 0.000(13) 0.003(13) 0.023(14) C11 0.028(9) 0.071(12) 0.064(11) 0.018(9) 0.002(7) 0.011(8) C12 0.039(11) 0.106(17) 0.073(12) 0.009(12) -0.010(9) 0.020(11) C13 0.050(12) 0.090(16) 0.117(17) 0.039(14) -0.007(12) 0.028(11) C14 0.050(11) 0.069(13) 0.095(14) 0.030(11) -0.008(10) 0.019(9) C15 0.036(9) 0.050(11) 0.062(10) 0.008(9) 0.002(8) 0.000(8) C16 0.072(12) 0.041(10) 0.075(12) 0.013(9) 0.002(9) 0.026(9) C17 0.091(15) 0.084(15) 0.074(13) -0.002(11) 0.025(11) 0.041(13) C18 0.110(19) 0.096(18) 0.100(17) -0.026(14) 0.015(14) 0.057(15) C19 0.103(17) 0.080(16) 0.067(12) -0.016(11) -0.006(12) 0.038(13) C20 0.090(15) 0.079(14) 0.057(11) -0.013(10) -0.014(10) 0.036(12) C21 0.051(10) 0.057(11) 0.051(9) -0.003(8) -0.007(8) 0.005(8) C22 0.062(12) 0.044(10) 0.060(10) 0.004(8) -0.015(9) 0.013(9) C23 0.091(17) 0.15(2) 0.068(13) -0.007(14) -0.019(11) 0.043(16) C24 0.22(3) 0.18(3) 0.17(3) -0.06(2) -0.13(2) 0.14(3) C25 0.034(10) 0.107(17) 0.094(14) 0.021(12) -0.005(9) 0.001(10) C26 0.064(14) 0.15(2) 0.104(15) 0.030(15) 0.009(12) 0.052(15) C27 0.055(12) 0.077(14) 0.095(14) -0.016(12) 0.003(11) 0.026(11) C28 0.105(19) 0.11(2) 0.093(15) -0.003(15) 0.031(14) 0.063(17) C29 0.103(19) 0.059(15) 0.121(18) -0.034(14) -0.020(16) 0.037(14) C30 0.077(15) 0.068(15) 0.100(16) 0.001(13) 0.013(13) 0.026(12) C31 0.045(10) 0.049(11) 0.078(12) 0.016(10) 0.000(9) 0.007(9) C32 0.044(10) 0.055(12) 0.065(11) 0.015(9) 0.001(8) 0.006(9) C33 0.070(14) 0.052(12) 0.084(13) -0.007(10) -0.001(11) -0.008(10) C34 0.040(11) 0.062(14) 0.105(16) 0.008(12) -0.001(11) -0.007(9) C35 0.040(11) 0.075(15) 0.100(15) 0.001(13) 0.003(10) -0.004(10) C36 0.050(12) 0.057(12) 0.098(14) 0.002(10) 0.004(10) 0.013(9) C37 0.072(14) 0.102(17) 0.073(13) 0.017(12) 0.009(10) 0.037(12) C38 0.12(2) 0.21(3) 0.051(12) 0.015(15) -0.020(12) 0.08(2) C39 0.076(16) 0.15(2) 0.113(19) 0.023(17) -0.023(14) 0.063(16) C40 0.103(18) 0.16(2) 0.078(14) 0.015(15) 0.005(13) 0.098(18) C41 0.062(11) 0.071(12) 0.057(10) -0.002(9) 0.003(9) 0.042(10) C42 0.046(10) 0.054(11) 0.108(15) 0.045(11) 0.034(10) 0.021(9) C43 0.065(13) 0.101(16) 0.072(12) 0.018(11) 0.020(10) 0.051(12) C44 0.087(16) 0.080(15) 0.088(15) 0.022(12) 0.040(12) 0.045(13) C45 0.095(17) 0.051(12) 0.075(13) -0.011(10) 0.009(12) 0.000(11) C46 0.072(13) 0.071(13) 0.050(10) -0.003(9) 0.004(9) 0.029(11) C47 0.038(9) 0.064(12) 0.065(10) 0.016(9) 0.003(8) 0.019(8) C48 0.069(13) 0.055(12) 0.066(11) -0.003(9) -0.013(9) 0.042(10) C49 0.101(17) 0.091(16) 0.099(15) -0.054(13) -0.005(13) 0.022(13) C50 0.066(13) 0.105(16) 0.085(13) -0.007(12) -0.014(10) 0.037(12) C51 0.066(15) 0.12(2) 0.15(2) 0.030(17) 0.013(14) -0.008(14) C52 0.074(17) 0.15(2) 0.18(2) 0.03(2) 0.048(16) 0.037(16) C53 0.25(5) 0.31(5) 0.12(3) 0.02(3) 0.05(3) 0.15(4) Cl1 0.171(7) 0.213(8) 0.086(4) -0.058(5) -0.048(4) 0.140(6) Cl2 0.130(5) 0.112(5) 0.087(4) -0.013(3) -0.025(3) 0.073(4) Cl3 0.074(4) 0.078(4) 0.237(8) -0.008(5) 0.053(5) 0.025(3) Cl4 0.117(5) 0.090(4) 0.085(4) -0.025(3) 0.006(3) -0.012(3) Cl5 0.107(5) 0.138(5) 0.100(4) -0.007(4) 0.016(3) 0.083(4) Cl6 0.108(4) 0.082(4) 0.108(4) -0.032(3) -0.037(3) 0.058(3) Cl7 0.099(5) 0.073(4) 0.178(6) -0.027(4) 0.049(4) 0.005(3) Cl8 0.070(3) 0.099(4) 0.076(3) -0.001(3) 0.003(2) 0.034(3) Cl9 0.53(2) 0.261(14) 0.206(11) -0.009(11) -0.055(13) 0.254(17) Cl10 0.150(7) 0.166(8) 0.161(7) -0.011(6) 0.007(6) 0.066(6) N1 0.033(7) 0.042(8) 0.054(7) 0.015(6) -0.010(6) 0.006(6) N2 0.061(9) 0.056(9) 0.055(8) 0.006(7) 0.027(7) 0.022(8) N3 0.033(7) 0.062(9) 0.048(8) 0.006(7) -0.007(6) 0.010(7) N4 0.057(9) 0.050(9) 0.062(9) -0.002(7) -0.006(7) 0.021(7) N5 0.067(9) 0.077(10) 0.036(7) -0.004(7) -0.019(6) 0.029(8) N6 0.059(10) 0.068(11) 0.081(10) 0.016(9) 0.001(8) 0.004(8) N7 0.029(7) 0.065(10) 0.078(9) 0.007(8) 0.006(7) 0.015(7) N8 0.032(7) 0.064(10) 0.063(8) 0.017(8) 0.004(6) 0.017(7) N9 0.044(8) 0.076(10) 0.050(8) 0.010(7) 0.002(6) 0.020(7) N10 0.038(8) 0.054(9) 0.063(9) 0.019(7) 0.019(6) 0.013(7) N11 0.042(8) 0.057(9) 0.078(10) 0.009(8) -0.005(7) 0.009(7) N12 0.049(9) 0.044(9) 0.073(9) 0.000(7) 0.000(7) 0.011(7) O1 0.115(13) 0.22(2) 0.057(8) 0.049(10) 0.012(8) 0.019(13) O2 0.072(8) 0.078(9) 0.061(7) 0.017(6) -0.018(6) 0.012(7) O3 0.090(11) 0.154(15) 0.077(9) 0.051(9) 0.003(8) -0.002(10) O4 0.055(8) 0.126(12) 0.100(10) 0.050(9) -0.003(7) 0.006(8) Pt1 0.0605(5) 0.0806(5) 0.0447(4) 0.0039(3) -0.0066(3) 0.0287(4) Pt2 0.0406(4) 0.0560(5) 0.0781(5) 0.0188(4) -0.0101(3) 0.0081(3) Pt3 0.0386(4) 0.0510(4) 0.0656(4) 0.0072(3) 0.0001(3) 0.0125(3) Pt4 0.0427(4) 0.0634(5) 0.0610(4) 0.0117(3) 0.0047(3) 0.0109(3) Ru1 0.0409(7) 0.0497(8) 0.0451(7) 0.0026(6) -0.0034(5) 0.0127(6) Ru2 0.0327(7) 0.0517(8) 0.0604(8) 0.0068(7) 0.0030(6) 0.0127(6) S1 0.077(4) 0.118(5) 0.048(3) 0.013(3) -0.008(2) 0.036(3) S2 0.046(3) 0.070(3) 0.062(3) 0.014(2) -0.007(2) 0.010(2) S3 0.053(3) 0.070(3) 0.060(3) 0.009(2) 0.001(2) 0.013(2) S4 0.056(3) 0.087(4) 0.075(3) 0.027(3) 0.006(2) 0.006(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 N1 1.331(18) . ? C1 C2 1.36(2) . ? C2 C3 1.39(3) . ? C3 C4 1.33(2) . ? C4 C5 1.41(2) . ? C5 N1 1.32(2) . ? C5 C6 1.53(2) . ? C6 N2 1.315(19) . ? C6 C7 1.42(2) . ? C7 C8 1.36(3) . ? C8 C9 1.34(3) . ? C9 C10 1.37(3) . ? C10 N2 1.30(2) . ? C11 N3 1.310(18) . ? C11 C12 1.41(2) . ? C12 C13 1.37(2) . ? C13 C14 1.36(2) . ? C14 C15 1.42(2) . ? C15 N3 1.355(19) . ? C15 C16 1.52(2) . ? C16 N4 1.340(18) . ? C16 C17 1.39(2) . ? C17 C18 1.42(3) . ? C18 C19 1.30(3) . ? C19 C20 1.37(2) . ? C20 N4 1.327(19) . ? C21 N5 1.151(17) . ? C21 Ru1 1.970(16) . ? C22 N6 1.191(19) . ? C22 Ru1 1.975(18) . ? C23 S1 1.70(2) . ? C24 S1 1.72(2) . ? C25 S2 1.722(17) . ? C26 S2 1.782(18) . ? C27 N7 1.315(19) . ? C27 C28 1.38(2) . ? C28 C29 1.38(3) . ? C29 C30 1.33(3) . ? C30 C31 1.33(2) . ? C31 N7 1.340(19) . ? C31 C32 1.49(2) . ? C32 N8 1.368(19) . ? C32 C33 1.37(2) . ? C33 C34 1.41(2) . ? C34 C35 1.31(2) . ? C35 C36 1.40(2) . ? C36 N8 1.307(19) . ? C37 N9 1.29(2) . ? C37 C38 1.40(2) . ? C38 C39 1.37(3) . ? C39 C40 1.30(3) . ? C40 C41 1.37(2) . ? C41 N9 1.347(18) . ? C41 C42 1.47(2) . ? C42 N10 1.339(18) . ? C42 C43 1.42(2) . ? C43 C44 1.35(2) . ? C44 C45 1.35(2) . ? C45 C46 1.34(2) . ? C46 N10 1.311(18) . ? C47 N11 1.147(17) . ? C47 Ru2 1.970(15) . ? C48 N12 1.157(19) . ? C48 Ru2 2.00(2) . ? C49 S3 1.757(18) . ? C50 S3 1.748(17) . ? C51 S4 1.70(2) . ? C52 S4 1.73(2) . ? C53 Cl9 1.707(16) . ? C53 Cl10 1.749(18) . ? C54 O5 1.55(5) . ? Cl1 Pt1 2.301(6) . ? Cl2 Pt1 2.280(5) . ? Cl3 Pt2 2.281(6) . ? Cl4 Pt2 2.255(6) . ? Cl5 Pt3 2.270(5) . ? Cl6 Pt3 2.290(5) . ? Cl7 Pt4 2.274(6) . ? Cl8 Pt4 2.288(5) . ? N1 Ru1 2.069(13) . ? N2 Ru1 2.067(13) . ? N3 Ru1 2.124(11) . ? N4 Ru1 2.073(12) . ? N5 Pt1 1.997(11) . ? N6 Pt2 1.957(15) . ? N7 Ru2 2.064(13) . ? N8 Ru2 2.087(13) . ? N9 Ru2 2.092(12) . ? N10 Ru2 2.097(13) . ? N11 Pt3 2.018(13) . ? N12 Pt4 1.975(14) . ? O1 S1 1.437(13) . ? O2 S2 1.433(10) . ? O3 S3 1.449(13) . ? O4 S4 1.448(12) . ? Pt1 S1 2.211(4) . ? Pt2 S2 2.202(4) . ? Pt3 S3 2.211(4) . ? Pt4 S4 2.212(5) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 C1 C2 121.9(17) . . ? C1 C2 C3 120.8(18) . . ? C4 C3 C2 116(2) . . ? C3 C4 C5 121(2) . . ? N1 C5 C4 121.7(17) . . ? N1 C5 C6 114.8(17) . . ? C4 C5 C6 123.4(18) . . ? N2 C6 C7 123.1(16) . . ? N2 C6 C5 114.1(16) . . ? C7 C6 C5 122.7(18) . . ? C8 C7 C6 119(2) . . ? C9 C8 C7 117(2) . . ? C8 C9 C10 120(2) . . ? N2 C10 C9 126(2) . . ? N3 C11 C12 121.0(17) . . ? C13 C12 C11 118.9(17) . . ? C12 C13 C14 120.6(17) . . ? C13 C14 C15 118.4(18) . . ? N3 C15 C14 120.0(15) . . ? N3 C15 C16 116.3(13) . . ? C14 C15 C16 123.7(16) . . ? N4 C16 C17 125.7(17) . . ? N4 C16 C15 114.4(14) . . ? C17 C16 C15 119.9(15) . . ? C16 C17 C18 113.3(18) . . ? C19 C18 C17 122.4(19) . . ? C18 C19 C20 118.8(19) . . ? N4 C20 C19 124.1(17) . . ? N5 C21 Ru1 174.2(15) . . ? N6 C22 Ru1 175.2(16) . . ? N7 C27 C28 121.4(19) . . ? C27 C28 C29 120(2) . . ? C30 C29 C28 117(2) . . ? C31 C30 C29 120(2) . . ? C30 C31 N7 124.3(17) . . ? C30 C31 C32 121.9(17) . . ? N7 C31 C32 113.8(17) . . ? N8 C32 C33 122.6(16) . . ? N8 C32 C31 114.9(15) . . ? C33 C32 C31 122.5(18) . . ? C32 C33 C34 118.5(18) . . ? C35 C34 C33 118.4(17) . . ? C34 C35 C36 120.6(19) . . ? N8 C36 C35 122.9(18) . . ? N9 C37 C38 121.6(19) . . ? C39 C38 C37 120.1(19) . . ? C40 C39 C38 117.1(19) . . ? C39 C40 C41 121.9(19) . . ? N9 C41 C40 121.6(16) . . ? N9 C41 C42 114.6(14) . . ? C40 C41 C42 123.5(16) . . ? N10 C42 C43 119.4(17) . . ? N10 C42 C41 117.5(15) . . ? C43 C42 C41 123.0(15) . . ? C44 C43 C42 118.8(17) . . ? C43 C44 C45 118.8(18) . . ? C46 C45 C44 121.2(19) . . ? N10 C46 C45 121.7(18) . . ? N11 C47 Ru2 176.9(14) . . ? N12 C48 Ru2 176.9(15) . . ? Cl9 C53 Cl10 111.4(14) . . ? C5 N1 C1 118.0(16) . . ? C5 N1 Ru1 115.5(12) . . ? C1 N1 Ru1 126.4(12) . . ? C10 N2 C6 114.9(17) . . ? C10 N2 Ru1 128.7(15) . . ? C6 N2 Ru1 116.3(10) . . ? C11 N3 C15 121.0(13) . . ? C11 N3 Ru1 125.6(11) . . ? C15 N3 Ru1 113.3(10) . . ? C20 N4 C16 115.7(14) . . ? C20 N4 Ru1 127.5(12) . . ? C16 N4 Ru1 116.6(11) . . ? C21 N5 Pt1 172.6(14) . . ? C22 N6 Pt2 176.6(15) . . ? C27 N7 C31 116.9(16) . . ? C27 N7 Ru2 125.4(12) . . ? C31 N7 Ru2 117.7(12) . . ? C36 N8 C32 116.8(14) . . ? C36 N8 Ru2 127.9(13) . . ? C32 N8 Ru2 115.2(10) . . ? C37 N9 C41 117.6(14) . . ? C37 N9 Ru2 127.4(12) . . ? C41 N9 Ru2 114.9(10) . . ? C46 N10 C42 119.9(15) . . ? C46 N10 Ru2 126.4(11) . . ? C42 N10 Ru2 113.7(12) . . ? C47 N11 Pt3 166.7(14) . . ? C48 N12 Pt4 171.7(14) . . ? N5 Pt1 S1 177.3(4) . . ? N5 Pt1 Cl2 89.1(4) . . ? S1 Pt1 Cl2 93.53(19) . . ? N5 Pt1 Cl1 88.2(4) . . ? S1 Pt1 Cl1 89.2(2) . . ? Cl2 Pt1 Cl1 177.1(2) . . ? N6 Pt2 S2 177.3(4) . . ? N6 Pt2 Cl4 88.2(5) . . ? S2 Pt2 Cl4 91.16(19) . . ? N6 Pt2 Cl3 88.6(5) . . ? S2 Pt2 Cl3 92.1(2) . . ? Cl4 Pt2 Cl3 176.6(2) . . ? N11 Pt3 S3 177.6(4) . . ? N11 Pt3 Cl5 87.3(4) . . ? S3 Pt3 Cl5 90.28(19) . . ? N11 Pt3 Cl6 90.4(4) . . ? S3 Pt3 Cl6 92.00(17) . . ? Cl5 Pt3 Cl6 177.63(19) . . ? N12 Pt4 S4 178.8(4) . . ? N12 Pt4 Cl7 88.5(4) . . ? S4 Pt4 Cl7 91.2(2) . . ? N12 Pt4 Cl8 88.8(4) . . ? S4 Pt4 Cl8 91.4(2) . . ? Cl7 Pt4 Cl8 177.3(2) . . ? C21 Ru1 C22 89.3(6) . . ? C21 Ru1 N1 92.5(6) . . ? C22 Ru1 N1 96.0(6) . . ? C21 Ru1 N2 92.1(6) . . ? C22 Ru1 N2 174.8(6) . . ? N1 Ru1 N2 78.9(5) . . ? C21 Ru1 N4 93.8(6) . . ? C22 Ru1 N4 90.0(6) . . ? N1 Ru1 N4 171.3(5) . . ? N2 Ru1 N4 94.9(5) . . ? C21 Ru1 N3 172.9(6) . . ? C22 Ru1 N3 91.6(5) . . ? N1 Ru1 N3 94.4(5) . . ? N2 Ru1 N3 87.6(5) . . ? N4 Ru1 N3 79.1(5) . . ? C47 Ru2 C48 90.3(6) . . ? C47 Ru2 N7 89.8(6) . . ? C48 Ru2 N7 94.4(6) . . ? C47 Ru2 N8 90.9(5) . . ? C48 Ru2 N8 172.3(6) . . ? N7 Ru2 N8 78.0(5) . . ? C47 Ru2 N9 175.6(6) . . ? C48 Ru2 N9 91.7(5) . . ? N7 Ru2 N9 94.0(5) . . ? N8 Ru2 N9 87.6(5) . . ? C47 Ru2 N10 97.6(6) . . ? C48 Ru2 N10 93.0(5) . . ? N7 Ru2 N10 169.5(5) . . ? N8 Ru2 N10 94.4(5) . . ? N9 Ru2 N10 78.4(5) . . ? O1 S1 C23 109.2(11) . . ? O1 S1 C24 108.1(13) . . ? C23 S1 C24 101.0(13) . . ? O1 S1 Pt1 114.8(7) . . ? C23 S1 Pt1 109.3(7) . . ? C24 S1 Pt1 113.5(8) . . ? O2 S2 C25 109.6(8) . . ? O2 S2 C26 107.3(8) . . ? C25 S2 C26 98.4(10) . . ? O2 S2 Pt2 113.7(5) . . ? C25 S2 Pt2 112.8(6) . . ? C26 S2 Pt2 113.8(7) . . ? O3 S3 C50 108.0(10) . . ? O3 S3 C49 109.5(10) . . ? C50 S3 C49 99.4(10) . . ? O3 S3 Pt3 114.8(6) . . ? C50 S3 Pt3 112.9(6) . . ? C49 S3 Pt3 111.2(8) . . ? O4 S4 C51 111.7(10) . . ? O4 S4 C52 109.4(11) . . ? C51 S4 C52 97.9(12) . . ? O4 S4 Pt4 113.7(6) . . ? C51 S4 Pt4 110.8(8) . . ? C52 S4 Pt4 112.3(8) . . ? _diffrn_measured_fraction_theta_max 0.979 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.979 _refine_diff_density_max 2.103 _refine_diff_density_min -0.996 _refine_diff_density_rms 0.186 data_wt0786wm _database_code_depnum_ccdc_archive 'CCDC 244984' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C29 H35 Cl13 Fe N6 O4 Pt2 S2' _chemical_formula_weight 1502.63 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' S S 0.1246 0.1234 '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' Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 13.123(8) _cell_length_b 13.681(8) _cell_length_c 15.542(9) _cell_angle_alpha 74.260(10) _cell_angle_beta 68.828(10) _cell_angle_gamma 76.081(11) _cell_volume 2473(2) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.24 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.018 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1436 _exptl_absorpt_coefficient_mu 6.760 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.6466 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details ? _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_type 'Smart CCD' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 23883 _diffrn_reflns_av_R_equivalents 0.0476 _diffrn_reflns_av_sigmaI/netI 0.0538 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.57 _diffrn_reflns_theta_max 25.00 _reflns_number_total 8607 _reflns_number_gt 5612 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction SAINT _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 full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1244P)^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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8607 _refine_ls_number_parameters 484 _refine_ls_number_restraints 4 _refine_ls_R_factor_all 0.0951 _refine_ls_R_factor_gt 0.0623 _refine_ls_wR_factor_ref 0.1820 _refine_ls_wR_factor_gt 0.1623 _refine_ls_goodness_of_fit_ref 0.950 _refine_ls_restrained_S_all 0.950 _refine_ls_shift/su_max 0.003 _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 1.1515(13) 0.7166(11) 0.1173(11) 0.084(4) Uani 1 1 d . . . H1A H 1.1686 0.6833 0.1722 0.100 Uiso 1 1 calc R . . C2 C 1.2320(17) 0.7070(16) 0.0325(14) 0.110(6) Uani 1 1 d . . . H2A H 1.3001 0.6658 0.0306 0.132 Uiso 1 1 calc R . . C3 C 1.211(2) 0.7570(16) -0.0458(16) 0.118(7) Uani 1 1 d . . . H3A H 1.2649 0.7519 -0.1037 0.142 Uiso 1 1 calc R . . C4 C 1.1134(18) 0.8148(15) -0.0425(10) 0.098(5) Uani 1 1 d . . . H4A H 1.1002 0.8520 -0.0982 0.118 Uiso 1 1 calc R . . C5 C 1.0278(16) 0.8209(12) 0.0458(11) 0.086(4) Uani 1 1 d . . . C6 C 0.9196(17) 0.8806(11) 0.0581(10) 0.084(5) Uani 1 1 d . . . C7 C 0.873(3) 0.9428(18) -0.0124(14) 0.137(9) Uani 1 1 d . . . H7A H 0.9146 0.9454 -0.0755 0.165 Uiso 1 1 calc R . . C8 C 0.770(3) 0.9983(17) 0.009(2) 0.135(10) Uani 1 1 d . . . H8A H 0.7419 1.0384 -0.0384 0.162 Uiso 1 1 calc R . . C9 C 0.7089(18) 0.9952(15) 0.0990(19) 0.118(6) Uani 1 1 d . . . H9A H 0.6389 1.0346 0.1155 0.142 Uiso 1 1 calc R . . C10 C 0.7546(17) 0.9290(11) 0.1698(12) 0.095(5) Uani 1 1 d . . . H10A H 0.7117 0.9244 0.2328 0.114 Uiso 1 1 calc R . . C11 C 0.8033(13) 0.6519(11) 0.1979(10) 0.084(4) Uani 1 1 d . . . H11A H 0.7690 0.7133 0.1695 0.100 Uiso 1 1 calc R . . C12 C 0.7732(15) 0.5600(15) 0.1997(12) 0.103(5) Uani 1 1 d . . . H12A H 0.7197 0.5607 0.1733 0.124 Uiso 1 1 calc R . . C13 C 0.8226(16) 0.4708(12) 0.2399(12) 0.100(5) Uani 1 1 d . . . H13A H 0.8071 0.4089 0.2375 0.119 Uiso 1 1 calc R . . C14 C 0.8936(15) 0.4702(11) 0.2833(12) 0.090(4) Uani 1 1 d . . . H14A H 0.9230 0.4084 0.3153 0.108 Uiso 1 1 calc R . . C15 C 0.9257(11) 0.5662(8) 0.2807(8) 0.062(3) Uani 1 1 d . . . C16 C 0.9979(10) 0.5793(8) 0.3248(8) 0.062(3) Uani 1 1 d . . . C17 C 1.0675(13) 0.4953(10) 0.3668(9) 0.080(4) Uani 1 1 d . . . H17A H 1.0680 0.4283 0.3636 0.096 Uiso 1 1 calc R . . C18 C 1.1314(12) 0.5125(12) 0.4103(11) 0.088(4) Uani 1 1 d . . . H18A H 1.1783 0.4602 0.4364 0.106 Uiso 1 1 calc R . . C19 C 1.1212(14) 0.6165(13) 0.4129(11) 0.095(5) Uani 1 1 d . . . H19A H 1.1544 0.6324 0.4500 0.114 Uiso 1 1 calc R . . C20 C 1.0670(13) 0.6926(11) 0.3654(10) 0.079(4) Uani 1 1 d . . . H20A H 1.0747 0.7597 0.3613 0.095 Uiso 1 1 calc R . . C21 C 0.9675(11) 0.8945(8) 0.2623(8) 0.061(3) Uani 1 1 d . . . C22 C 0.7914(12) 0.7960(9) 0.3469(10) 0.064(3) Uani 1 1 d . . . C23 C 1.2847(16) 1.1334(18) 0.2941(17) 0.138(8) Uani 1 1 d . . . H23A H 1.3185 1.1790 0.3089 0.207 Uiso 1 1 calc R . . H23B H 1.3021 1.1447 0.2270 0.207 Uiso 1 1 calc R . . H23C H 1.3124 1.0635 0.3178 0.207 Uiso 1 1 calc R . . C24 C 1.1297(18) 1.1213(15) 0.4697(12) 0.123(7) Uani 1 1 d . . . H24A H 1.1637 1.1672 0.4839 0.185 Uiso 1 1 calc R . . H24B H 1.1675 1.0523 0.4824 0.185 Uiso 1 1 calc R . . H24C H 1.0535 1.1250 0.5081 0.185 Uiso 1 1 calc R . . C25 C 0.3193(15) 0.9207(14) 0.6220(17) 0.131(7) Uani 1 1 d . . . H25A H 0.2468 0.9150 0.6667 0.196 Uiso 1 1 calc R . . H25B H 0.3127 0.9643 0.5638 0.196 Uiso 1 1 calc R . . H25C H 0.3602 0.9496 0.6465 0.196 Uiso 1 1 calc R . . C26 C 0.3051(15) 0.7674(16) 0.5516(16) 0.121(6) Uani 1 1 d . . . H26A H 0.2320 0.7650 0.5961 0.182 Uiso 1 1 calc R . . H26B H 0.3357 0.7014 0.5348 0.182 Uiso 1 1 calc R . . H26C H 0.3014 0.8186 0.4962 0.182 Uiso 1 1 calc R . . C27 C 0.5115(18) 0.588(2) 0.8278(14) 0.153(10) Uani 1 1 d . . . H27A H 0.4962 0.6187 0.7681 0.183 Uiso 1 1 calc R . . C28 C 0.413(2) 0.861(2) 0.199(2) 0.37(3) Uiso 1 1 d D . . H28A H 0.3905 0.8703 0.2643 0.444 Uiso 1 1 calc R . . C29 C 0.1216(19) 0.3567(16) 0.0893(17) 0.135(7) Uani 1 1 d . . . H29A H 0.0870 0.3302 0.1565 0.163 Uiso 1 1 calc R . . Cl1 Cl 1.1666(5) 0.9132(3) 0.3787(5) 0.144(2) Uani 1 1 d . . . Cl2 Cl 0.9513(3) 1.1859(2) 0.2502(3) 0.0790(9) Uani 1 1 d . . . Cl3 Cl 0.4847(4) 0.9183(4) 0.3890(3) 0.1171(16) Uani 1 1 d . . . Cl4 Cl 0.6384(3) 0.6936(3) 0.6034(3) 0.0969(12) Uani 1 1 d . . . Cl5 Cl 0.6484(8) 0.5148(10) 0.8071(6) 0.294(7) Uani 1 1 d . . . Cl6 Cl 0.5237(9) 0.6875(10) 0.8783(7) 0.246(5) Uani 1 1 d . . . Cl7 Cl 0.4187(7) 0.5183(7) 0.8987(5) 0.180(3) Uani 1 1 d . . . Cl8 Cl 0.544(2) 0.7887(17) 0.1602(19) 0.481(14) Uiso 1 1 d D . . Cl9 Cl 0.417(2) 0.9754(18) 0.1137(19) 0.456(12) Uiso 1 1 d D . . Cl10 Cl 0.3324(17) 0.7880(15) 0.1797(14) 0.361(9) Uiso 1 1 d D . . Cl11 Cl 0.1630(7) 0.4684(6) 0.0809(6) 0.193(3) Uani 1 1 d . . . Cl12 Cl 0.2350(8) 0.2618(7) 0.0480(6) 0.195(3) Uani 1 1 d . . . Cl13 Cl 0.0282(7) 0.3669(5) 0.0363(5) 0.160(2) Uani 1 1 d . . . Fe1 Fe 0.92130(15) 0.78230(12) 0.24348(11) 0.0567(4) Uani 1 1 d . . . N1 N 1.0489(11) 0.7716(8) 0.1258(7) 0.070(3) Uani 1 1 d . . . N2 N 0.8538(11) 0.8751(8) 0.1498(9) 0.074(3) Uani 1 1 d . . . N3 N 0.8783(9) 0.6555(7) 0.2349(7) 0.066(3) Uani 1 1 d . . . N4 N 1.0008(8) 0.6776(7) 0.3224(7) 0.059(2) Uani 1 1 d . . . N5 N 0.9995(8) 0.9555(7) 0.2792(7) 0.062(2) Uani 1 1 d . . . N6 N 0.7076(10) 0.8042(7) 0.4056(8) 0.070(3) Uani 1 1 d . . . O1 O 1.1038(10) 1.2640(7) 0.3198(8) 0.103(4) Uani 1 1 d . . . O2 O 0.3822(10) 0.7256(12) 0.6917(9) 0.148(6) Uani 1 1 d . . . O3 O 0.447(2) 0.589(2) 0.370(2) 0.266(12) Uiso 1 1 d . . . O4 O 0.6159(13) 0.5216(11) 0.4590(10) 0.143(5) Uiso 1 1 d . . . Pt1 Pt 1.06120(4) 1.05310(3) 0.31338(3) 0.06149(19) Uani 1 1 d . . . Pt2 Pt 0.55716(4) 0.80419(4) 0.49996(4) 0.06643(19) Uani 1 1 d . . . S1 S 1.1383(3) 1.1579(2) 0.3473(3) 0.0795(10) Uani 1 1 d . . . S2 S 0.3888(3) 0.7985(3) 0.6021(3) 0.0789(9) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.087(11) 0.079(9) 0.082(10) -0.017(7) -0.012(8) -0.029(8) C2 0.108(14) 0.126(15) 0.085(12) -0.041(11) -0.010(11) -0.009(11) C3 0.116(17) 0.114(15) 0.112(16) -0.044(13) 0.009(13) -0.044(13) C4 0.124(15) 0.125(14) 0.054(9) -0.024(9) -0.014(10) -0.050(12) C5 0.123(14) 0.075(9) 0.083(11) -0.016(8) -0.043(10) -0.041(9) C6 0.150(16) 0.072(9) 0.060(8) 0.005(7) -0.053(10) -0.061(10) C7 0.23(3) 0.124(17) 0.090(13) 0.036(12) -0.083(17) -0.101(19) C8 0.21(3) 0.099(14) 0.15(2) 0.013(15) -0.14(2) -0.038(17) C9 0.104(14) 0.106(14) 0.17(2) -0.007(14) -0.088(15) -0.021(11) C10 0.132(15) 0.075(9) 0.098(11) 0.002(8) -0.069(11) -0.025(10) C11 0.105(11) 0.076(9) 0.091(10) -0.019(7) -0.046(9) -0.025(8) C12 0.114(14) 0.114(13) 0.107(12) -0.032(11) -0.036(11) -0.053(11) C13 0.141(16) 0.064(9) 0.107(12) -0.018(8) -0.035(11) -0.048(10) C14 0.111(13) 0.059(8) 0.106(11) -0.011(8) -0.033(10) -0.030(8) C15 0.082(9) 0.044(6) 0.065(7) -0.026(5) -0.018(6) -0.007(6) C16 0.068(8) 0.044(6) 0.065(7) -0.024(5) -0.005(6) 0.000(5) C17 0.099(11) 0.058(7) 0.073(8) -0.016(6) -0.027(8) 0.007(7) C18 0.071(9) 0.082(10) 0.100(11) -0.009(8) -0.032(9) 0.004(7) C19 0.102(12) 0.099(12) 0.091(11) -0.019(9) -0.047(10) -0.006(10) C20 0.095(11) 0.070(8) 0.089(9) -0.028(7) -0.050(9) -0.001(7) C21 0.082(8) 0.046(6) 0.058(7) -0.014(5) -0.026(6) -0.007(6) C22 0.070(9) 0.048(6) 0.078(8) -0.020(6) -0.029(7) -0.001(6) C23 0.105(14) 0.169(19) 0.170(19) -0.041(15) -0.045(14) -0.069(14) C24 0.168(19) 0.143(16) 0.106(12) -0.024(11) -0.076(13) -0.062(14) C25 0.078(12) 0.113(14) 0.20(2) -0.071(14) -0.023(13) -0.005(10) C26 0.081(11) 0.131(15) 0.168(18) -0.039(13) -0.040(12) -0.037(11) C27 0.108(16) 0.27(3) 0.085(13) -0.027(16) -0.015(12) -0.066(18) C29 0.145(19) 0.131(16) 0.156(18) -0.048(14) -0.052(16) -0.040(15) Cl1 0.174(5) 0.057(2) 0.265(7) -0.003(3) -0.168(5) -0.012(2) Cl2 0.093(2) 0.0606(17) 0.095(2) -0.0055(16) -0.051(2) -0.0114(16) Cl3 0.080(3) 0.131(4) 0.110(3) 0.031(3) -0.037(2) -0.016(2) Cl4 0.079(2) 0.099(3) 0.107(3) -0.002(2) -0.043(2) -0.003(2) Cl5 0.181(8) 0.369(15) 0.169(7) 0.062(9) -0.021(6) 0.066(9) Cl6 0.224(10) 0.334(13) 0.203(8) -0.031(9) -0.029(7) -0.175(10) Cl7 0.186(7) 0.219(8) 0.148(5) -0.053(5) -0.033(5) -0.068(6) Cl11 0.226(8) 0.182(6) 0.191(7) -0.060(5) -0.020(6) -0.118(6) Cl12 0.238(9) 0.196(7) 0.161(6) -0.068(5) -0.073(6) -0.002(6) Cl13 0.207(7) 0.149(5) 0.134(5) -0.023(4) -0.048(5) -0.065(5) Fe1 0.0702(11) 0.0484(8) 0.0593(9) -0.0154(7) -0.0240(8) -0.0137(7) N1 0.106(9) 0.054(6) 0.057(6) -0.016(5) -0.018(6) -0.031(6) N2 0.090(8) 0.051(6) 0.100(9) -0.006(5) -0.052(7) -0.024(6) N3 0.087(7) 0.055(6) 0.061(6) -0.015(5) -0.022(6) -0.023(5) N4 0.059(6) 0.050(5) 0.063(6) -0.018(4) -0.014(5) -0.002(4) N5 0.068(6) 0.052(5) 0.071(6) -0.013(5) -0.024(5) -0.014(5) N6 0.069(7) 0.057(6) 0.087(8) -0.018(5) -0.034(6) 0.003(5) O1 0.153(11) 0.054(5) 0.127(9) -0.017(5) -0.074(8) -0.017(6) O2 0.076(8) 0.197(13) 0.104(9) 0.058(9) -0.021(7) -0.011(8) Pt1 0.0757(4) 0.0518(3) 0.0726(3) -0.0112(2) -0.0388(3) -0.0161(2) Pt2 0.0553(3) 0.0618(3) 0.0812(4) -0.0177(2) -0.0223(3) -0.0029(2) S1 0.106(3) 0.0586(18) 0.100(3) -0.0106(17) -0.061(2) -0.0231(18) S2 0.060(2) 0.076(2) 0.088(2) -0.0039(18) -0.0213(18) -0.0050(16) _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 N1 1.355(18) . ? C1 C2 1.38(2) . ? C2 C3 1.31(3) . ? C3 C4 1.33(3) . ? C4 C5 1.43(2) . ? C5 N1 1.335(18) . ? C5 C6 1.43(2) . ? C6 N2 1.366(19) . ? C6 C7 1.42(3) . ? C7 C8 1.35(3) . ? C8 C9 1.33(3) . ? C9 C10 1.44(2) . ? C10 N2 1.30(2) . ? C11 N3 1.323(16) . ? C11 C12 1.395(19) . ? C12 C13 1.34(2) . ? C13 C14 1.33(2) . ? C14 C15 1.459(17) . ? C15 N3 1.367(15) . ? C15 C16 1.419(18) . ? C16 N4 1.345(14) . ? C16 C17 1.449(18) . ? C17 C18 1.34(2) . ? C18 C19 1.41(2) . ? C19 C20 1.321(19) . ? C20 N4 1.350(15) . ? C21 N5 1.145(14) . ? C21 Fe1 1.905(12) . ? C22 N6 1.152(16) . ? C22 Fe1 1.886(15) . ? C23 S1 1.78(2) . ? C24 S1 1.799(17) . ? C25 S2 1.751(17) . ? C26 S2 1.741(17) . ? C27 Cl7 1.62(2) . ? C27 Cl5 1.80(3) . ? C27 Cl6 1.80(3) . ? C28 Cl8 1.75(2) . ? C28 Cl9 1.757(19) . ? C28 Cl10 1.763(19) . ? C29 Cl13 1.67(2) . ? C29 Cl11 1.70(2) . ? C29 Cl12 1.77(2) . ? Cl1 Pt1 2.301(4) . ? Cl2 Pt1 2.267(3) . ? Cl3 Pt2 2.308(4) . ? Cl4 Pt2 2.270(4) . ? Fe1 N4 1.974(10) . ? Fe1 N2 1.977(11) . ? Fe1 N1 1.996(11) . ? Fe1 N3 2.000(9) . ? N5 Pt1 1.984(10) . ? N6 Pt2 1.989(13) . ? O1 S1 1.408(10) . ? O2 S2 1.463(11) . ? Pt1 S1 2.203(3) . ? Pt2 S2 2.212(4) . ? 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 C1 C2 124.0(16) . . ? C3 C2 C1 119(2) . . ? C2 C3 C4 120.1(19) . . ? C3 C4 C5 120.9(18) . . ? N1 C5 C6 114.7(14) . . ? N1 C5 C4 119.3(18) . . ? C6 C5 C4 125.9(16) . . ? N2 C6 C7 117(2) . . ? N2 C6 C5 114.7(13) . . ? C7 C6 C5 128.3(19) . . ? C8 C7 C6 122(2) . . ? C9 C8 C7 120(2) . . ? C8 C9 C10 118(2) . . ? N2 C10 C9 123.0(18) . . ? N3 C11 C12 123.0(15) . . ? C13 C12 C11 119.1(16) . . ? C14 C13 C12 120.4(14) . . ? C13 C14 C15 120.3(14) . . ? N3 C15 C16 114.8(9) . . ? N3 C15 C14 117.8(12) . . ? C16 C15 C14 127.4(12) . . ? N4 C16 C15 114.9(11) . . ? N4 C16 C17 121.0(12) . . ? C15 C16 C17 124.1(11) . . ? C18 C17 C16 121.2(13) . . ? C17 C18 C19 114.1(14) . . ? C20 C19 C18 123.4(15) . . ? C19 C20 N4 123.1(13) . . ? N5 C21 Fe1 173.8(11) . . ? N6 C22 Fe1 174.7(11) . . ? Cl7 C27 Cl5 111.2(17) . . ? Cl7 C27 Cl6 113.1(13) . . ? Cl5 C27 Cl6 101.2(13) . . ? Cl8 C28 Cl9 104.1(15) . . ? Cl8 C28 Cl10 100(2) . . ? Cl9 C28 Cl10 107(2) . . ? Cl13 C29 Cl11 115.7(14) . . ? Cl13 C29 Cl12 108.5(12) . . ? Cl11 C29 Cl12 112.0(13) . . ? C22 Fe1 C21 90.4(5) . . ? C22 Fe1 N4 92.3(5) . . ? C21 Fe1 N4 93.9(4) . . ? C22 Fe1 N2 94.5(5) . . ? C21 Fe1 N2 91.1(4) . . ? N4 Fe1 N2 171.5(4) . . ? C22 Fe1 N1 174.2(5) . . ? C21 Fe1 N1 92.2(5) . . ? N4 Fe1 N1 92.7(4) . . ? N2 Fe1 N1 80.2(5) . . ? C22 Fe1 N3 88.5(5) . . ? C21 Fe1 N3 174.0(5) . . ? N4 Fe1 N3 80.3(4) . . ? N2 Fe1 N3 94.8(4) . . ? N1 Fe1 N3 89.5(4) . . ? C5 N1 C1 116.6(13) . . ? C5 N1 Fe1 115.4(12) . . ? C1 N1 Fe1 128.0(10) . . ? C10 N2 C6 120.1(14) . . ? C10 N2 Fe1 125.0(11) . . ? C6 N2 Fe1 114.8(11) . . ? C11 N3 C15 119.2(10) . . ? C11 N3 Fe1 126.5(9) . . ? C15 N3 Fe1 114.0(8) . . ? C16 N4 C20 116.4(11) . . ? C16 N4 Fe1 115.5(8) . . ? C20 N4 Fe1 127.7(8) . . ? C21 N5 Pt1 175.8(10) . . ? C22 N6 Pt2 171.8(10) . . ? N5 Pt1 S1 177.1(3) . . ? N5 Pt1 Cl2 89.6(3) . . ? S1 Pt1 Cl2 92.11(13) . . ? N5 Pt1 Cl1 87.9(3) . . ? S1 Pt1 Cl1 90.46(15) . . ? Cl2 Pt1 Cl1 177.21(14) . . ? N6 Pt2 S2 177.3(3) . . ? N6 Pt2 Cl4 87.3(3) . . ? S2 Pt2 Cl4 92.95(15) . . ? N6 Pt2 Cl3 89.4(3) . . ? S2 Pt2 Cl3 90.34(15) . . ? Cl4 Pt2 Cl3 176.67(15) . . ? O1 S1 C23 107.2(10) . . ? O1 S1 C24 112.3(8) . . ? C23 S1 C24 99.9(10) . . ? O1 S1 Pt1 116.7(5) . . ? C23 S1 Pt1 109.4(7) . . ? C24 S1 Pt1 110.0(6) . . ? O2 S2 C26 107.8(10) . . ? O2 S2 C25 110.4(11) . . ? C26 S2 C25 100.5(10) . . ? O2 S2 Pt2 115.5(5) . . ? C26 S2 Pt2 109.6(7) . . ? C25 S2 Pt2 112.0(7) . . ? _diffrn_measured_fraction_theta_max 0.987 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 6.212 _refine_diff_density_min -0.932 _refine_diff_density_rms 0.198