# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2011 data_global _journal_name_full Chem.Commun. _journal_coden_cambridge 0182 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_name 'Anthony Yiu-Yan Tam' _publ_contact_author_email tam1107@gmail.com loop_ _publ_author_name 'Vivian Wing-Wah Yam.' 'Anthony Yiu-Yan Tam.' 'Keith Man-Chung Wong.' ; Mei-Yee Chan ; 'Daniel Ping-Kuen Tsang.' 'Nianyong Zhu.' data_shelxl _database_code_depnum_ccdc_archive 'CCDC 767389' #TrackingRef '- complex 1.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C28.50 H30 Cl2 N4 Pt' _chemical_formula_sum 'C28.50 H30 Cl2 N4 Pt' _chemical_formula_weight 694.55 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' 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 'P 21/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.3920(13) _cell_length_b 16.6100(17) _cell_length_c 24.535(2) _cell_angle_alpha 90.00 _cell_angle_beta 98.780(10) _cell_angle_gamma 90.00 _cell_volume 5393.6(9) _cell_formula_units_Z 8 _cell_measurement_temperature 301(2) _cell_measurement_reflns_used 0 _cell_measurement_theta_min 0 _cell_measurement_theta_max 0 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max 0.43 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.711 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2728 _exptl_absorpt_coefficient_mu 5.426 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.469946 _exptl_absorpt_correction_T_max 1.000000 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 301(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 CCD 1000' _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 31836 _diffrn_reflns_av_R_equivalents 0.0273 _diffrn_reflns_av_sigmaI/netI 0.0293 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 1.97 _diffrn_reflns_theta_max 25.68 _reflns_number_total 10207 _reflns_number_gt 8324 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution SHELXS-97 _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' _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^)+(0.0418P)^2^+0.4442P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 10207 _refine_ls_number_parameters 658 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0390 _refine_ls_R_factor_gt 0.0264 _refine_ls_wR_factor_ref 0.0706 _refine_ls_wR_factor_gt 0.0641 _refine_ls_goodness_of_fit_ref 1.034 _refine_ls_restrained_S_all 1.034 _refine_ls_shift/su_max 0.006 _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 0.4469(3) 0.9868(2) 0.74489(18) 0.0418(9) Uani 1 1 d . . . C2 C 0.5017(3) 1.0344(2) 0.7855(2) 0.0482(10) Uani 1 1 d . . . H2 H 0.5046 1.0226 0.8227 0.058 Uiso 1 1 calc R . . C3 C 0.5518(3) 1.1001(3) 0.7681(2) 0.0582(12) Uani 1 1 d . . . H3 H 0.5890 1.1329 0.7944 0.070 Uiso 1 1 calc R . . C4 C 0.5483(4) 1.1187(3) 0.7123(2) 0.0640(14) Uani 1 1 d . . . H4 H 0.5835 1.1632 0.7023 0.077 Uiso 1 1 calc R . . C5 C 0.4939(3) 1.0725(3) 0.6723(2) 0.0578(12) Uani 1 1 d . . . H5 H 0.4906 1.0852 0.6351 0.069 Uiso 1 1 calc R . . C6 C 0.4437(3) 1.0059(2) 0.68910(18) 0.0452(10) Uani 1 1 d . . . C7 C 0.2249(3) 0.7442(2) 0.88909(17) 0.0420(9) Uani 1 1 d . . . C8 C 0.2433(3) 0.7821(3) 0.93995(18) 0.0519(11) Uani 1 1 d . . . H8 H 0.2864 0.8261 0.9461 0.062 Uiso 1 1 calc R . . C9 C 0.1946(4) 0.7514(3) 0.98120(19) 0.0612(13) Uani 1 1 d . . . H9 H 0.2045 0.7760 1.0156 0.073 Uiso 1 1 calc R . . C10 C 0.1308(4) 0.6842(3) 0.9726(2) 0.0672(14) Uani 1 1 d . . . H10 H 0.0998 0.6652 1.0015 0.081 Uiso 1 1 calc R . . C11 C 0.1130(4) 0.6461(3) 0.9228(2) 0.0589(12) Uani 1 1 d . . . H11 H 0.0709 0.6013 0.9172 0.071 Uiso 1 1 calc R . . C12 C 0.1606(3) 0.6772(2) 0.88054(17) 0.0460(10) Uani 1 1 d . . . C13 C 0.3537(3) 0.8958(2) 0.69583(16) 0.0418(9) Uani 1 1 d . . . C14 C 0.2917(3) 0.8236(2) 0.68794(16) 0.0407(9) Uani 1 1 d . . . C15 C 0.2764(3) 0.7936(2) 0.73949(15) 0.0362(8) Uani 1 1 d . . . C16 C 0.2184(3) 0.7243(2) 0.74408(16) 0.0397(9) Uani 1 1 d . . . C17 C 0.1754(3) 0.6832(3) 0.69576(18) 0.0475(10) Uani 1 1 d . . . H17 H 0.1369 0.6370 0.6976 0.057 Uiso 1 1 calc R . . C18 C 0.1927(4) 0.7143(3) 0.64524(18) 0.0554(11) Uani 1 1 d . . . H18 H 0.1658 0.6873 0.6132 0.066 Uiso 1 1 calc R . . C19 C 0.2480(3) 0.7835(3) 0.64079(18) 0.0539(11) Uani 1 1 d . . . H19 H 0.2558 0.8031 0.6062 0.065 Uiso 1 1 calc R . . C20 C 0.2086(3) 0.7112(2) 0.80160(17) 0.0409(9) Uani 1 1 d . . . C21 C 0.3547(4) 0.9497(3) 0.59931(18) 0.0540(11) Uani 1 1 d . . . H21A H 0.3525 1.0053 0.5870 0.065 Uiso 1 1 calc R . . H21B H 0.2869 0.9279 0.5905 0.065 Uiso 1 1 calc R . . C22 C 0.4240(4) 0.9029(3) 0.56766(19) 0.0630(13) Uani 1 1 d . . . H22A H 0.4239 0.8466 0.5782 0.076 Uiso 1 1 calc R . . H22B H 0.4925 0.9230 0.5771 0.076 Uiso 1 1 calc R . . C23 C 0.3906(5) 0.9105(4) 0.5057(2) 0.0854(18) Uani 1 1 d . . . H23A H 0.3210 0.8927 0.4967 0.102 Uiso 1 1 calc R . . H23B H 0.3932 0.9667 0.4952 0.102 Uiso 1 1 calc R . . C24 C 0.4549(6) 0.8621(5) 0.4726(3) 0.129(3) Uani 1 1 d . . . H24A H 0.4307 0.8691 0.4340 0.193 Uiso 1 1 calc R . . H24B H 0.4514 0.8062 0.4821 0.193 Uiso 1 1 calc R . . H24C H 0.5237 0.8802 0.4807 0.193 Uiso 1 1 calc R . . C25 C 0.1006(3) 0.5863(3) 0.7990(2) 0.0566(12) Uani 1 1 d . . . H25A H 0.0621 0.6026 0.7640 0.068 Uiso 1 1 calc R . . H25B H 0.0535 0.5658 0.8220 0.068 Uiso 1 1 calc R . . C26 C 0.1733(4) 0.5200(3) 0.7891(2) 0.0617(13) Uani 1 1 d . . . H26A H 0.1361 0.4785 0.7669 0.074 Uiso 1 1 calc R . . H26B H 0.2228 0.5420 0.7681 0.074 Uiso 1 1 calc R . . C27 C 0.2282(5) 0.4822(3) 0.8408(3) 0.0810(17) Uani 1 1 d . . . H27A H 0.1790 0.4633 0.8631 0.097 Uiso 1 1 calc R . . H27B H 0.2694 0.5229 0.8619 0.097 Uiso 1 1 calc R . . C28 C 0.2947(5) 0.4128(3) 0.8298(3) 0.103(2) Uani 1 1 d . . . H28A H 0.3275 0.3912 0.8642 0.155 Uiso 1 1 calc R . . H28B H 0.3447 0.4313 0.8085 0.155 Uiso 1 1 calc R . . H28C H 0.2542 0.3717 0.8097 0.155 Uiso 1 1 calc R . . C29 C 0.2077(4) 1.1322(3) 0.5751(2) 0.0542(11) Uani 1 1 d . . . C30 C 0.1587(4) 1.0994(3) 0.5268(2) 0.0708(14) Uani 1 1 d . . . H30 H 0.1151 1.0559 0.5271 0.085 Uiso 1 1 calc R . . C31 C 0.1766(5) 1.1338(4) 0.4779(3) 0.0874(18) Uani 1 1 d . . . H31 H 0.1445 1.1132 0.4446 0.105 Uiso 1 1 calc R . . C32 C 0.2422(6) 1.1989(4) 0.4780(3) 0.094(2) Uani 1 1 d . . . H32 H 0.2526 1.2205 0.4444 0.113 Uiso 1 1 calc R . . C33 C 0.2915(5) 1.2319(4) 0.5249(3) 0.0811(17) Uani 1 1 d . . . H33 H 0.3353 1.2753 0.5242 0.097 Uiso 1 1 calc R . . C34 C 0.2736(4) 1.1979(3) 0.5743(2) 0.0586(12) Uani 1 1 d . . . C35 C 0.0549(3) 0.8998(3) 0.7530(2) 0.0536(12) Uani 1 1 d . . . C36 C 0.0001(4) 0.8439(3) 0.7178(3) 0.0638(14) Uani 1 1 d . . . H36 H -0.0030 0.8462 0.6797 0.077 Uiso 1 1 calc R . . C37 C -0.0496(4) 0.7845(3) 0.7434(3) 0.0744(16) Uani 1 1 d . . . H37 H -0.0874 0.7462 0.7217 0.089 Uiso 1 1 calc R . . C38 C -0.0445(4) 0.7805(3) 0.8000(3) 0.0752(16) Uani 1 1 d . . . H38 H -0.0785 0.7392 0.8150 0.090 Uiso 1 1 calc R . . C39 C 0.0093(4) 0.8357(3) 0.8349(3) 0.0680(15) Uani 1 1 d . . . H39 H 0.0121 0.8329 0.8730 0.082 Uiso 1 1 calc R . . C40 C 0.0589(3) 0.8956(3) 0.8099(2) 0.0546(12) Uani 1 1 d . . . C41 C 0.1501(3) 0.9996(3) 0.7896(2) 0.0495(10) Uani 1 1 d . . . C42 C 0.2131(3) 1.0706(3) 0.78860(18) 0.0475(10) Uani 1 1 d . . . C43 C 0.2190(3) 1.0913(2) 0.73363(18) 0.0440(9) Uani 1 1 d . . . C44 C 0.2763(3) 1.1574(2) 0.72105(19) 0.0476(10) Uani 1 1 d . . . C45 C 0.3278(3) 1.2030(3) 0.7636(2) 0.0552(11) Uani 1 1 d . . . H45 H 0.3662 1.2470 0.7558 0.066 Uiso 1 1 calc R . . C46 C 0.3221(4) 1.1835(3) 0.8166(2) 0.0609(13) Uani 1 1 d . . . H46 H 0.3563 1.2152 0.8447 0.073 Uiso 1 1 calc R . . C47 C 0.2661(4) 1.1167(3) 0.8307(2) 0.0576(12) Uani 1 1 d . . . H47 H 0.2646 1.1038 0.8674 0.069 Uiso 1 1 calc R . . C48 C 0.2677(3) 1.1649(2) 0.6613(2) 0.0484(10) Uani 1 1 d . . . C49 C 0.3808(4) 1.2827(3) 0.6471(2) 0.0652(13) Uani 1 1 d . . . H49A H 0.4188 1.2958 0.6177 0.078 Uiso 1 1 calc R . . H49B H 0.4282 1.2646 0.6786 0.078 Uiso 1 1 calc R . . C50 C 0.3265(5) 1.3582(3) 0.6631(3) 0.0757(16) Uani 1 1 d . . . H50A H 0.2828 1.3432 0.6895 0.091 Uiso 1 1 calc R . . H50B H 0.3766 1.3955 0.6813 0.091 Uiso 1 1 calc R . . C51 C 0.2655(5) 1.4000(3) 0.6167(3) 0.0913(19) Uani 1 1 d . . . H51A H 0.2153 1.3630 0.5982 0.110 Uiso 1 1 calc R . . H51B H 0.3090 1.4159 0.5904 0.110 Uiso 1 1 calc R . . C52 C 0.2124(5) 1.4741(4) 0.6344(3) 0.098(2) Uani 1 1 d . . . H52A H 0.1737 1.4988 0.6026 0.147 Uiso 1 1 calc R . . H52B H 0.2616 1.5116 0.6518 0.147 Uiso 1 1 calc R . . H52C H 0.1681 1.4587 0.6599 0.147 Uiso 1 1 calc R . . C53 C 0.1418(4) 0.9793(3) 0.8910(2) 0.0607(13) Uani 1 1 d . . . H53A H 0.2125 0.9939 0.9002 0.073 Uiso 1 1 calc R . . H53B H 0.1304 0.9321 0.9126 0.073 Uiso 1 1 calc R . . C54 C 0.0775(4) 1.0478(3) 0.9068(2) 0.0683(14) Uani 1 1 d . . . H54A H 0.0843 1.0936 0.8831 0.082 Uiso 1 1 calc R . . H54B H 0.0072 1.0314 0.9008 0.082 Uiso 1 1 calc R . . C55 C 0.1071(5) 1.0727(4) 0.9661(2) 0.0915(19) Uani 1 1 d . . . H55A H 0.1762 1.0921 0.9714 0.110 Uiso 1 1 calc R . . H55B H 0.1044 1.0260 0.9896 0.110 Uiso 1 1 calc R . . C56 C 0.0386(6) 1.1384(5) 0.9834(3) 0.120(3) Uani 1 1 d . . . H56A H 0.0604 1.1521 1.0214 0.179 Uiso 1 1 calc R . . H56B H -0.0298 1.1191 0.9790 0.179 Uiso 1 1 calc R . . H56C H 0.0420 1.1852 0.9608 0.179 Uiso 1 1 calc R . . C57 C 0.4603(6) 0.5831(4) 0.5393(3) 0.104(2) Uani 1 1 d . . . H57A H 0.4631 0.5710 0.5008 0.124 Uiso 0.50 1 calc PR A 1 H57B H 0.5022 0.5440 0.5615 0.124 Uiso 0.50 1 calc PR A 1 H57C H 0.4645 0.5296 0.5554 0.124 Uiso 0.50 1 d PR A 2 H57D H 0.4203 0.5792 0.5029 0.124 Uiso 0.50 1 d PR A 2 N1 N 0.3897(2) 0.91754(18) 0.74795(13) 0.0400(7) Uani 1 1 d . . . N2 N 0.2554(2) 0.76338(18) 0.83886(13) 0.0380(7) Uani 1 1 d . . . N3 N 0.3847(3) 0.9480(2) 0.65909(14) 0.0442(8) Uani 1 1 d . . . N4 N 0.1536(3) 0.65677(19) 0.82585(15) 0.0445(8) Uani 1 1 d . . . N5 N 0.2075(3) 1.1119(2) 0.63025(15) 0.0490(9) Uani 1 1 d . . . N6 N 0.3099(3) 1.2175(2) 0.62895(17) 0.0547(9) Uani 1 1 d . . . N7 N 0.1120(3) 0.96593(19) 0.74100(17) 0.0493(9) Uani 1 1 d . . . N8 N 0.1198(3) 0.9591(2) 0.83230(17) 0.0550(10) Uani 1 1 d . . . Cl1 Cl 0.41190(9) 0.91652(7) 0.88850(4) 0.0563(3) Uani 1 1 d . . . Cl2 Cl 0.05868(10) 0.94793(8) 0.60116(6) 0.0692(3) Uani 1 1 d . . . Cl3 Cl 0.3459(6) 0.5736(7) 0.5503(5) 0.294(6) Uani 0.50 1 d P B 1 Cl4 Cl 0.5077(10) 0.6745(5) 0.5535(4) 0.304(7) Uani 0.50 1 d P B 1 Cl3' Cl 0.3999(5) 0.6455(3) 0.57914(18) 0.1272(19) Uani 0.50 1 d P B 2 Cl4' Cl 0.5789(3) 0.6145(3) 0.53255(16) 0.1083(13) Uani 0.50 1 d P B 2 Pt1 Pt 0.335536(11) 0.849360(8) 0.805706(6) 0.03490(5) Uani 1 1 d . . . Pt2 Pt 0.147372(12) 1.027109(10) 0.674718(7) 0.04561(6) 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 0.037(2) 0.038(2) 0.052(3) 0.0052(18) 0.0117(19) 0.0019(16) C2 0.045(3) 0.043(2) 0.057(3) 0.0013(19) 0.006(2) -0.0016(18) C3 0.049(3) 0.047(3) 0.078(4) 0.005(2) 0.006(2) -0.009(2) C4 0.052(3) 0.051(3) 0.091(4) 0.015(3) 0.016(3) -0.007(2) C5 0.053(3) 0.056(3) 0.068(3) 0.016(2) 0.021(2) 0.001(2) C6 0.042(2) 0.042(2) 0.054(3) 0.0058(19) 0.015(2) 0.0054(18) C7 0.043(2) 0.041(2) 0.044(2) 0.0061(17) 0.0096(18) 0.0021(17) C8 0.061(3) 0.050(3) 0.045(3) 0.002(2) 0.010(2) -0.003(2) C9 0.079(4) 0.065(3) 0.041(3) 0.003(2) 0.015(2) 0.005(3) C10 0.079(4) 0.077(3) 0.052(3) 0.019(3) 0.030(3) 0.000(3) C11 0.057(3) 0.064(3) 0.058(3) 0.011(2) 0.017(2) -0.006(2) C12 0.049(3) 0.044(2) 0.047(3) 0.0049(19) 0.013(2) 0.0021(19) C13 0.044(2) 0.042(2) 0.041(2) 0.0011(18) 0.0119(18) 0.0042(17) C14 0.045(2) 0.038(2) 0.040(2) 0.0003(17) 0.0101(18) 0.0034(17) C15 0.038(2) 0.034(2) 0.037(2) -0.0009(16) 0.0064(16) 0.0053(16) C16 0.038(2) 0.038(2) 0.042(2) -0.0039(17) 0.0032(17) 0.0004(16) C17 0.046(3) 0.044(2) 0.054(3) -0.0031(19) 0.013(2) -0.0034(18) C18 0.069(3) 0.057(3) 0.039(2) -0.008(2) 0.005(2) -0.009(2) C19 0.065(3) 0.061(3) 0.036(2) -0.005(2) 0.008(2) -0.001(2) C20 0.040(2) 0.038(2) 0.045(2) -0.0004(17) 0.0089(18) 0.0004(17) C21 0.062(3) 0.056(3) 0.045(3) 0.012(2) 0.013(2) 0.002(2) C22 0.063(3) 0.077(3) 0.052(3) -0.001(2) 0.020(2) 0.000(3) C23 0.097(5) 0.108(5) 0.054(3) -0.008(3) 0.021(3) -0.026(4) C24 0.151(7) 0.171(8) 0.079(5) -0.039(5) 0.067(5) -0.047(6) C25 0.051(3) 0.056(3) 0.063(3) -0.005(2) 0.011(2) -0.021(2) C26 0.072(3) 0.045(3) 0.070(3) -0.009(2) 0.016(3) -0.022(2) C27 0.094(5) 0.061(3) 0.089(4) 0.006(3) 0.016(4) -0.005(3) C28 0.095(5) 0.063(4) 0.145(7) -0.002(4) 0.000(4) 0.012(3) C29 0.059(3) 0.047(3) 0.057(3) -0.005(2) 0.012(2) 0.007(2) C30 0.077(4) 0.072(4) 0.064(3) -0.010(3) 0.014(3) 0.002(3) C31 0.103(5) 0.097(5) 0.063(4) -0.007(3) 0.017(3) 0.007(4) C32 0.120(6) 0.106(5) 0.061(4) 0.008(4) 0.028(4) -0.003(4) C33 0.096(5) 0.073(4) 0.079(4) 0.009(3) 0.027(4) 0.000(3) C34 0.063(3) 0.054(3) 0.061(3) 0.002(2) 0.014(2) 0.006(2) C35 0.035(2) 0.040(2) 0.087(4) 0.001(2) 0.011(2) 0.0060(18) C36 0.049(3) 0.050(3) 0.091(4) -0.005(3) 0.006(3) 0.002(2) C37 0.050(3) 0.047(3) 0.125(5) -0.003(3) 0.009(3) -0.008(2) C38 0.055(3) 0.061(3) 0.112(5) 0.017(3) 0.021(3) -0.005(3) C39 0.051(3) 0.059(3) 0.097(4) 0.013(3) 0.022(3) 0.004(2) C40 0.041(3) 0.047(3) 0.078(3) 0.005(2) 0.016(2) 0.010(2) C41 0.043(3) 0.043(2) 0.063(3) 0.000(2) 0.010(2) 0.0032(19) C42 0.042(3) 0.047(2) 0.053(3) -0.001(2) 0.006(2) 0.0051(18) C43 0.035(2) 0.035(2) 0.060(3) -0.0059(18) 0.0024(18) 0.0023(16) C44 0.042(3) 0.039(2) 0.061(3) 0.0024(19) 0.005(2) 0.0042(17) C45 0.048(3) 0.041(2) 0.073(3) -0.001(2) -0.003(2) -0.0026(19) C46 0.057(3) 0.056(3) 0.064(3) -0.015(2) -0.007(2) 0.002(2) C47 0.065(3) 0.054(3) 0.051(3) -0.003(2) 0.003(2) 0.001(2) C48 0.042(3) 0.041(2) 0.063(3) 0.002(2) 0.010(2) 0.0042(18) C49 0.056(3) 0.056(3) 0.081(4) 0.010(3) 0.005(3) -0.008(2) C50 0.081(4) 0.050(3) 0.089(4) 0.003(3) -0.008(3) -0.018(3) C51 0.109(5) 0.068(4) 0.092(5) -0.002(3) 0.001(4) 0.006(3) C52 0.098(5) 0.078(4) 0.112(6) -0.006(4) -0.003(4) 0.024(3) C53 0.056(3) 0.062(3) 0.066(3) 0.007(2) 0.014(2) 0.004(2) C54 0.054(3) 0.080(4) 0.072(4) -0.004(3) 0.012(3) 0.004(3) C55 0.083(4) 0.120(5) 0.071(4) -0.013(4) 0.010(3) 0.013(4) C56 0.108(6) 0.142(7) 0.111(6) -0.047(5) 0.022(5) 0.020(5) C57 0.130(6) 0.097(5) 0.082(5) 0.015(4) 0.009(4) 0.037(4) N1 0.043(2) 0.0371(18) 0.0410(19) 0.0009(14) 0.0083(15) -0.0012(14) N2 0.045(2) 0.0338(17) 0.0357(18) -0.0010(13) 0.0085(14) -0.0019(14) N3 0.048(2) 0.048(2) 0.0382(19) 0.0072(15) 0.0109(16) 0.0025(16) N4 0.042(2) 0.0420(19) 0.050(2) -0.0004(15) 0.0109(16) -0.0064(14) N5 0.046(2) 0.045(2) 0.055(2) -0.0033(17) 0.0072(17) 0.0016(16) N6 0.048(2) 0.048(2) 0.067(3) 0.0051(18) 0.0098(19) -0.0045(17) N7 0.041(2) 0.0377(19) 0.069(3) -0.0002(17) 0.0102(18) 0.0026(15) N8 0.050(2) 0.047(2) 0.069(3) 0.0040(19) 0.0141(19) 0.0061(17) Cl1 0.0658(8) 0.0582(7) 0.0437(6) -0.0102(5) 0.0048(5) -0.0151(5) Cl2 0.0701(9) 0.0624(7) 0.0724(9) -0.0183(6) 0.0023(6) -0.0113(6) Cl3 0.158(6) 0.371(12) 0.370(13) 0.286(11) 0.100(8) 0.050(7) Cl4 0.467(18) 0.180(7) 0.205(9) 0.021(7) -0.143(11) -0.096(9) Cl3' 0.171(5) 0.132(4) 0.084(3) 0.018(3) 0.038(3) 0.081(3) Cl4' 0.113(3) 0.128(3) 0.081(2) 0.032(2) 0.006(2) -0.041(2) Pt1 0.03699(9) 0.03286(9) 0.03491(9) -0.00086(6) 0.00568(6) 0.00043(6) Pt2 0.03870(10) 0.03920(10) 0.05906(12) -0.00665(7) 0.00783(8) 0.00170(6) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.390(6) . ? C1 N1 1.391(5) . ? C1 C6 1.399(6) . ? C2 C3 1.380(6) . ? C2 H2 0.9300 . ? C3 C4 1.396(7) . ? C3 H3 0.9300 . ? C4 C5 1.366(7) . ? C4 H4 0.9300 . ? C5 C6 1.390(6) . ? C5 H5 0.9300 . ? C6 N3 1.383(6) . ? C7 C8 1.385(6) . ? C7 N2 1.393(5) . ? C7 C12 1.403(6) . ? C8 C9 1.382(6) . ? C8 H8 0.9300 . ? C9 C10 1.402(7) . ? C9 H9 0.9300 . ? C10 C11 1.364(7) . ? C10 H10 0.9300 . ? C11 C12 1.397(6) . ? C11 H11 0.9300 . ? C12 N4 1.373(5) . ? C13 N1 1.345(5) . ? C13 N3 1.361(5) . ? C13 C14 1.454(6) . ? C14 C19 1.385(6) . ? C14 C15 1.403(5) . ? C15 C16 1.403(5) . ? C15 Pt1 1.932(4) . ? C16 C17 1.412(6) . ? C16 C20 1.454(5) . ? C17 C18 1.394(6) . ? C17 H17 0.9300 . ? C18 C19 1.379(6) . ? C18 H18 0.9300 . ? C19 H19 0.9300 . ? C20 N2 1.343(5) . ? C20 N4 1.359(5) . ? C21 N3 1.461(6) . ? C21 C22 1.514(6) . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C22 C23 1.524(7) . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 C24 1.502(8) . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 N4 1.472(5) . ? C25 C26 1.513(6) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 C27 1.503(8) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 C28 1.506(8) . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 C30 1.376(7) . ? C29 N5 1.394(6) . ? C29 C34 1.407(7) . ? C30 C31 1.382(8) . ? C30 H30 0.9300 . ? C31 C32 1.393(9) . ? C31 H31 0.9300 . ? C32 C33 1.353(9) . ? C32 H32 0.9300 . ? C33 C34 1.390(7) . ? C33 H33 0.9300 . ? C34 N6 1.392(6) . ? C35 C40 1.391(7) . ? C35 N7 1.396(5) . ? C35 C36 1.397(7) . ? C36 C37 1.391(7) . ? C36 H36 0.9300 . ? C37 C38 1.380(8) . ? C37 H37 0.9300 . ? C38 C39 1.380(8) . ? C38 H38 0.9300 . ? C39 C40 1.390(6) . ? C39 H39 0.9300 . ? C40 N8 1.393(6) . ? C41 N7 1.345(6) . ? C41 N8 1.358(6) . ? C41 C42 1.453(6) . ? C42 C47 1.391(6) . ? C42 C43 1.405(6) . ? C43 C44 1.402(6) . ? C43 Pt2 1.929(4) . ? C44 C45 1.386(6) . ? C44 C48 1.459(6) . ? C45 C46 1.353(7) . ? C45 H45 0.9300 . ? C46 C47 1.412(7) . ? C46 H46 0.9300 . ? C47 H47 0.9300 . ? C48 N5 1.348(6) . ? C48 N6 1.359(5) . ? C49 N6 1.464(6) . ? C49 C50 1.531(7) . ? C49 H49A 0.9700 . ? C49 H49B 0.9700 . ? C50 C51 1.470(8) . ? C50 H50A 0.9700 . ? C50 H50B 0.9700 . ? C51 C52 1.517(8) . ? C51 H51A 0.9700 . ? C51 H51B 0.9700 . ? C52 H52A 0.9600 . ? C52 H52B 0.9600 . ? C52 H52C 0.9600 . ? C53 N8 1.465(6) . ? C53 C54 1.512(6) . ? C53 H53A 0.9700 . ? C53 H53B 0.9700 . ? C54 C55 1.506(8) . ? C54 H54A 0.9700 . ? C54 H54B 0.9700 . ? C55 C56 1.528(8) . ? C55 H55A 0.9700 . ? C55 H55B 0.9700 . ? C56 H56A 0.9600 . ? C56 H56B 0.9600 . ? C56 H56C 0.9600 . ? C57 Cl3 1.604(9) . ? C57 Cl4 1.663(10) . ? C57 Cl4' 1.704(8) . ? C57 Cl3' 1.711(7) . ? C57 H57A 0.9700 . ? C57 H57B 0.9700 . ? C57 H57C 0.9700 . ? C57 H57D 0.9700 . ? N1 Pt1 2.032(3) . ? N2 Pt1 2.030(3) . ? N5 Pt2 2.023(4) . ? N7 Pt2 2.034(4) . ? Cl1 Pt1 2.4046(11) . ? Cl2 Pt2 2.3965(13) . ? Cl3 H57C 1.7348 . ? Cl3 H57D 1.6456 . ? 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 C2 C1 N1 131.8(4) . . ? C2 C1 C6 120.4(4) . . ? N1 C1 C6 107.7(4) . . ? C3 C2 C1 117.1(4) . . ? C3 C2 H2 121.4 . . ? C1 C2 H2 121.4 . . ? C2 C3 C4 122.2(5) . . ? C2 C3 H3 118.9 . . ? C4 C3 H3 118.9 . . ? C5 C4 C3 121.0(4) . . ? C5 C4 H4 119.5 . . ? C3 C4 H4 119.5 . . ? C4 C5 C6 117.5(5) . . ? C4 C5 H5 121.3 . . ? C6 C5 H5 121.3 . . ? N3 C6 C5 131.1(4) . . ? N3 C6 C1 107.1(3) . . ? C5 C6 C1 121.8(4) . . ? C8 C7 N2 131.1(4) . . ? C8 C7 C12 121.0(4) . . ? N2 C7 C12 107.8(4) . . ? C9 C8 C7 117.0(4) . . ? C9 C8 H8 121.5 . . ? C7 C8 H8 121.5 . . ? C8 C9 C10 121.9(5) . . ? C8 C9 H9 119.1 . . ? C10 C9 H9 119.1 . . ? C11 C10 C9 121.6(4) . . ? C11 C10 H10 119.2 . . ? C9 C10 H10 119.2 . . ? C10 C11 C12 117.1(4) . . ? C10 C11 H11 121.5 . . ? C12 C11 H11 121.5 . . ? N4 C12 C11 131.5(4) . . ? N4 C12 C7 106.9(3) . . ? C11 C12 C7 121.5(4) . . ? N1 C13 N3 110.9(3) . . ? N1 C13 C14 117.5(3) . . ? N3 C13 C14 131.5(4) . . ? C19 C14 C15 118.7(4) . . ? C19 C14 C13 131.9(4) . . ? C15 C14 C13 109.4(3) . . ? C14 C15 C16 121.5(4) . . ? C14 C15 Pt1 119.4(3) . . ? C16 C15 Pt1 119.1(3) . . ? C15 C16 C17 119.2(4) . . ? C15 C16 C20 109.5(3) . . ? C17 C16 C20 131.1(4) . . ? C18 C17 C16 117.8(4) . . ? C18 C17 H17 121.1 . . ? C16 C17 H17 121.1 . . ? C19 C18 C17 122.9(4) . . ? C19 C18 H18 118.6 . . ? C17 C18 H18 118.6 . . ? C18 C19 C14 119.9(4) . . ? C18 C19 H19 120.1 . . ? C14 C19 H19 120.1 . . ? N2 C20 N4 111.0(3) . . ? N2 C20 C16 117.5(3) . . ? N4 C20 C16 131.3(4) . . ? N3 C21 C22 114.1(4) . . ? N3 C21 H21A 108.7 . . ? C22 C21 H21A 108.7 . . ? N3 C21 H21B 108.7 . . ? C22 C21 H21B 108.7 . . ? H21A C21 H21B 107.6 . . ? C21 C22 C23 111.1(5) . . ? C21 C22 H22A 109.4 . . ? C23 C22 H22A 109.4 . . ? C21 C22 H22B 109.4 . . ? C23 C22 H22B 109.4 . . ? H22A C22 H22B 108.0 . . ? C24 C23 C22 112.9(6) . . ? C24 C23 H23A 109.0 . . ? C22 C23 H23A 109.0 . . ? C24 C23 H23B 109.0 . . ? C22 C23 H23B 109.0 . . ? H23A C23 H23B 107.8 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? N4 C25 C26 111.8(4) . . ? N4 C25 H25A 109.2 . . ? C26 C25 H25A 109.2 . . ? N4 C25 H25B 109.2 . . ? C26 C25 H25B 109.2 . . ? H25A C25 H25B 107.9 . . ? C27 C26 C25 114.4(4) . . ? C27 C26 H26A 108.7 . . ? C25 C26 H26A 108.7 . . ? C27 C26 H26B 108.7 . . ? C25 C26 H26B 108.7 . . ? H26A C26 H26B 107.6 . . ? C26 C27 C28 113.3(5) . . ? C26 C27 H27A 108.9 . . ? C28 C27 H27A 108.9 . . ? C26 C27 H27B 108.9 . . ? C28 C27 H27B 108.9 . . ? H27A C27 H27B 107.7 . . ? C27 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C27 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C30 C29 N5 132.0(5) . . ? C30 C29 C34 120.8(5) . . ? N5 C29 C34 107.2(4) . . ? C29 C30 C31 117.4(6) . . ? C29 C30 H30 121.3 . . ? C31 C30 H30 121.3 . . ? C30 C31 C32 120.8(6) . . ? C30 C31 H31 119.6 . . ? C32 C31 H31 119.6 . . ? C33 C32 C31 122.8(6) . . ? C33 C32 H32 118.6 . . ? C31 C32 H32 118.6 . . ? C32 C33 C34 116.8(6) . . ? C32 C33 H33 121.6 . . ? C34 C33 H33 121.6 . . ? C33 C34 N6 131.5(5) . . ? C33 C34 C29 121.3(5) . . ? N6 C34 C29 107.2(4) . . ? C40 C35 N7 108.2(4) . . ? C40 C35 C36 121.6(5) . . ? N7 C35 C36 130.2(5) . . ? C37 C36 C35 115.7(6) . . ? C37 C36 H36 122.1 . . ? C35 C36 H36 122.1 . . ? C38 C37 C36 122.3(5) . . ? C38 C37 H37 118.8 . . ? C36 C37 H37 118.8 . . ? C37 C38 C39 122.2(5) . . ? C37 C38 H38 118.9 . . ? C39 C38 H38 118.9 . . ? C38 C39 C40 116.2(6) . . ? C38 C39 H39 121.9 . . ? C40 C39 H39 121.9 . . ? C39 C40 C35 122.0(5) . . ? C39 C40 N8 131.2(5) . . ? C35 C40 N8 106.8(4) . . ? N7 C41 N8 111.2(4) . . ? N7 C41 C42 117.7(4) . . ? N8 C41 C42 131.1(4) . . ? C47 C42 C43 118.8(4) . . ? C47 C42 C41 131.8(4) . . ? C43 C42 C41 109.4(4) . . ? C44 C43 C42 121.1(4) . . ? C44 C43 Pt2 119.6(3) . . ? C42 C43 Pt2 119.3(3) . . ? C45 C44 C43 119.2(4) . . ? C45 C44 C48 131.7(4) . . ? C43 C44 C48 109.1(4) . . ? C46 C45 C44 120.0(4) . . ? C46 C45 H45 120.0 . . ? C44 C45 H45 120.0 . . ? C45 C46 C47 122.2(5) . . ? C45 C46 H46 118.9 . . ? C47 C46 H46 118.9 . . ? C42 C47 C46 118.8(4) . . ? C42 C47 H47 120.6 . . ? C46 C47 H47 120.6 . . ? N5 C48 N6 110.9(4) . . ? N5 C48 C44 117.4(4) . . ? N6 C48 C44 131.7(4) . . ? N6 C49 C50 111.8(4) . . ? N6 C49 H49A 109.2 . . ? C50 C49 H49A 109.2 . . ? N6 C49 H49B 109.2 . . ? C50 C49 H49B 109.2 . . ? H49A C49 H49B 107.9 . . ? C51 C50 C49 114.8(5) . . ? C51 C50 H50A 108.6 . . ? C49 C50 H50A 108.6 . . ? C51 C50 H50B 108.6 . . ? C49 C50 H50B 108.6 . . ? H50A C50 H50B 107.5 . . ? C50 C51 C52 113.0(6) . . ? C50 C51 H51A 109.0 . . ? C52 C51 H51A 109.0 . . ? C50 C51 H51B 109.0 . . ? C52 C51 H51B 109.0 . . ? H51A C51 H51B 107.8 . . ? C51 C52 H52A 109.5 . . ? C51 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? C51 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? N8 C53 C54 112.7(4) . . ? N8 C53 H53A 109.0 . . ? C54 C53 H53A 109.0 . . ? N8 C53 H53B 109.0 . . ? C54 C53 H53B 109.0 . . ? H53A C53 H53B 107.8 . . ? C55 C54 C53 112.2(5) . . ? C55 C54 H54A 109.2 . . ? C53 C54 H54A 109.2 . . ? C55 C54 H54B 109.2 . . ? C53 C54 H54B 109.2 . . ? H54A C54 H54B 107.9 . . ? C54 C55 C56 112.6(6) . . ? C54 C55 H55A 109.1 . . ? C56 C55 H55A 109.1 . . ? C54 C55 H55B 109.1 . . ? C56 C55 H55B 109.1 . . ? H55A C55 H55B 107.8 . . ? C55 C56 H56A 109.5 . . ? C55 C56 H56B 109.5 . . ? H56A C56 H56B 109.5 . . ? C55 C56 H56C 109.5 . . ? H56A C56 H56C 109.5 . . ? H56B C56 H56C 109.5 . . ? Cl3 C57 Cl4 113.4(8) . . ? Cl3 C57 Cl4' 167.2(7) . . ? Cl4 C57 Cl4' 53.8(6) . . ? Cl3 C57 Cl3' 54.2(5) . . ? Cl4 C57 Cl3' 61.6(6) . . ? Cl4' C57 Cl3' 113.5(5) . . ? Cl3 C57 H57A 108.9 . . ? Cl4 C57 H57A 108.9 . . ? Cl4' C57 H57A 78.1 . . ? Cl3' C57 H57A 140.6 . . ? Cl3 C57 H57B 108.9 . . ? Cl4 C57 H57B 108.9 . . ? Cl4' C57 H57B 78.0 . . ? Cl3' C57 H57B 111.5 . . ? H57A C57 H57B 107.7 . . ? Cl3 C57 H57C 80.7 . . ? Cl4 C57 H57C 138.9 . . ? Cl4' C57 H57C 108.9 . . ? Cl3' C57 H57C 108.9 . . ? H57A C57 H57C 101.5 . . ? H57B C57 H57C 33.4 . . ? Cl3 C57 H57D 75.0 . . ? Cl4 C57 H57D 113.2 . . ? Cl4' C57 H57D 108.9 . . ? Cl3' C57 H57D 108.9 . . ? H57A C57 H57D 35.9 . . ? H57B C57 H57D 131.6 . . ? H57C C57 H57D 107.7 . . ? C13 N1 C1 106.9(3) . . ? C13 N1 Pt1 113.5(3) . . ? C1 N1 Pt1 139.2(3) . . ? C20 N2 C7 106.6(3) . . ? C20 N2 Pt1 113.7(2) . . ? C7 N2 Pt1 139.4(3) . . ? C13 N3 C6 107.3(3) . . ? C13 N3 C21 127.7(4) . . ? C6 N3 C21 124.7(4) . . ? C20 N4 C12 107.6(3) . . ? C20 N4 C25 126.1(4) . . ? C12 N4 C25 126.2(3) . . ? C48 N5 C29 107.5(4) . . ? C48 N5 Pt2 113.8(3) . . ? C29 N5 Pt2 138.7(3) . . ? C48 N6 C34 107.2(4) . . ? C48 N6 C49 127.3(4) . . ? C34 N6 C49 125.5(4) . . ? C41 N7 C35 106.6(4) . . ? C41 N7 Pt2 113.5(3) . . ? C35 N7 Pt2 139.8(3) . . ? C41 N8 C40 107.3(4) . . ? C41 N8 C53 127.4(4) . . ? C40 N8 C53 125.3(4) . . ? C57 Cl3 H57C 33.5 . . ? C57 Cl3 H57D 34.7 . . ? H57C Cl3 H57D 55.1 . . ? C15 Pt1 N2 79.96(14) . . ? C15 Pt1 N1 79.91(14) . . ? N2 Pt1 N1 159.77(13) . . ? C15 Pt1 Cl1 178.78(11) . . ? N2 Pt1 Cl1 99.82(9) . . ? N1 Pt1 Cl1 100.34(10) . . ? C43 Pt2 N5 79.99(16) . . ? C43 Pt2 N7 80.01(16) . . ? N5 Pt2 N7 160.00(15) . . ? C43 Pt2 Cl2 179.68(14) . . ? N5 Pt2 Cl2 99.69(11) . . ? N7 Pt2 Cl2 100.30(11) . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.68 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 2.103 _refine_diff_density_min -0.749 _refine_diff_density_rms 0.092