Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2007 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Partha Mukherjee' _publ_contact_author_address ; Inorganic and Physical Chemistry Indian Institute of Science Bangalore-560012 Bangalore 560012 INDIA ; _publ_contact_author_email PSM@IPC.IISC.ERNET.IN _publ_section_title ; Self-assembly of metal-organic hybrid nanoscopic rectangles ; loop_ _publ_author_name P.Mukherjee S.Ghosh data_psm-sg _database_code_depnum_ccdc_archive 'CCDC 623169' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common Pt4-rectangle _chemical_melting_point ? _chemical_formula_moiety 'C98 H154 N6 O2 P8 Pt4 4+, 4(N O3 1-)' _chemical_formula_sum 'C98 H154 N10 O14 P8 Pt4' _chemical_formula_weight 2724.43 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 'C 2/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 40.6123(13) _cell_length_b 14.7952(4) _cell_length_c 20.0041(7) _cell_angle_alpha 90.00 _cell_angle_beta 98.1700(10) _cell_angle_gamma 90.00 _cell_volume 11897.8(6) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 12732 _cell_measurement_theta_min 1.018 _cell_measurement_theta_max 27.485 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_size_max 0.38 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.521 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5424 _exptl_absorpt_coefficient_mu 4.853 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.2600 _exptl_absorpt_correction_T_max 0.5711 _exptl_absorpt_process_details 'DENZO-SMN (Otwinowski & Minor)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(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 'Nonius KappaCCD Diffractometer' _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 25167 _diffrn_reflns_av_R_equivalents 0.0693 _diffrn_reflns_av_sigmaI/netI 0.0862 _diffrn_reflns_limit_h_min -52 _diffrn_reflns_limit_h_max 52 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.75 _diffrn_reflns_theta_max 27.43 _reflns_number_total 13441 _reflns_number_gt 7163 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Nonius COLLECT' _computing_cell_refinement DENZO-SMN _computing_data_reduction DENZO-SMN _computing_structure_solution SIR97 _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'WinGX, Ortep3' _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^)+(0.1003P)^2^+136.1806P] 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 13441 _refine_ls_number_parameters 513 _refine_ls_number_restraints 48 _refine_ls_R_factor_all 0.1479 _refine_ls_R_factor_gt 0.0823 _refine_ls_wR_factor_ref 0.2427 _refine_ls_wR_factor_gt 0.2179 _refine_ls_goodness_of_fit_ref 1.106 _refine_ls_restrained_S_all 1.106 _refine_ls_shift/su_max 0.001 _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 Pt1 Pt 0.629882(12) 0.30479(4) 0.73417(3) 0.0593(2) Uani 1 1 d . . . Pt2 Pt 0.633293(12) 0.68042(4) 0.75617(3) 0.0627(2) Uani 1 1 d . . . P1 P 0.60141(9) 0.2387(3) 0.81419(19) 0.0732(11) Uani 1 1 d . . . P2 P 0.66180(10) 0.3459(3) 0.6526(2) 0.0785(12) Uani 1 1 d . . . P3 P 0.67541(9) 0.7055(3) 0.69028(19) 0.0755(12) Uani 1 1 d . . . P4 P 0.59465(9) 0.6812(3) 0.83113(19) 0.0639(10) Uani 1 1 d . B . C1 C 0.6702(3) 0.3156(11) 0.8061(7) 0.068(4) Uani 1 1 d . . . C2 C 0.6883(4) 0.2359(12) 0.8236(8) 0.080(4) Uani 1 1 d . . . H2 H 0.6819 0.1819 0.7995 0.096 Uiso 1 1 calc R . . C3 C 0.7161(4) 0.2334(13) 0.8763(8) 0.085(5) Uani 1 1 d . . . H3 H 0.7280 0.1787 0.8868 0.102 Uiso 1 1 calc R . . C4 C 0.7248(3) 0.3075(12) 0.9100(8) 0.077(4) Uani 1 1 d . . . H4 H 0.7425 0.3053 0.9466 0.092 Uiso 1 1 calc R . . C5 C 0.7089(3) 0.3893(12) 0.8935(7) 0.073(4) Uani 1 1 d . . . C6 C 0.7205(4) 0.4735(12) 0.9292(8) 0.084(5) Uani 1 1 d . . . H6 H 0.7374 0.4695 0.9672 0.100 Uiso 1 1 calc R . . C7 C 0.7082(3) 0.5558(12) 0.9102(7) 0.074(4) Uani 1 1 d . . . C8 C 0.7211(4) 0.6379(15) 0.9442(8) 0.093(5) Uani 1 1 d . . . H8 H 0.7381 0.6327 0.9819 0.111 Uiso 1 1 calc R . . C9 C 0.7105(4) 0.7182(12) 0.9254(7) 0.071(4) Uani 1 1 d . . . H9 H 0.7207 0.7694 0.9484 0.086 Uiso 1 1 calc R . . C10 C 0.6836(3) 0.7317(11) 0.8701(7) 0.071(4) Uani 1 1 d . . . H10 H 0.6758 0.7908 0.8576 0.085 Uiso 1 1 calc R . . C11 C 0.6687(3) 0.6520(11) 0.8341(7) 0.066(4) Uani 1 1 d . . . C12 C 0.6809(3) 0.5645(11) 0.8534(7) 0.065(4) Uani 1 1 d . . . C13 C 0.6686(3) 0.4811(10) 0.8226(7) 0.062(4) Uani 1 1 d . . . H13 H 0.6502 0.4851 0.7876 0.075 Uiso 1 1 calc R . . C14 C 0.6812(3) 0.3939(11) 0.8394(6) 0.064(4) Uani 1 1 d . . . N1 N 0.5875(3) 0.2926(7) 0.6600(5) 0.061(3) Uani 1 1 d D . . C15 C 0.5628(3) 0.3539(10) 0.6550(6) 0.065(4) Uani 1 1 d D . . H15 H 0.5652 0.4045 0.6845 0.078 Uiso 1 1 calc R . . C16 C 0.5340(3) 0.3469(9) 0.6092(6) 0.059(3) Uani 1 1 d D . . H16 H 0.5172 0.3919 0.6070 0.070 Uiso 1 1 calc R . . C17 C 0.5303(3) 0.2736(10) 0.5671(6) 0.065(4) Uani 1 1 d D . . C18 C 0.5556(3) 0.2083(11) 0.5719(6) 0.071(4) Uani 1 1 d D . . H18 H 0.5539 0.1566 0.5435 0.085 Uiso 1 1 calc R . . C19 C 0.5830(3) 0.2224(9) 0.6197(6) 0.061(3) Uani 1 1 d D . . H19 H 0.6000 0.1779 0.6237 0.073 Uiso 1 1 calc R A . N3 N 0.4052(3) 0.2992(8) 0.3267(6) 0.070(3) Uani 0.50 1 d PD . 1 C21 C 0.4117(7) 0.2135(13) 0.3482(17) 0.056(10) Uiso 0.50 1 d PD A 1 H21 H 0.3969 0.1683 0.3281 0.067 Uiso 0.50 1 calc PR A 1 C22 C 0.4376(6) 0.1838(16) 0.3965(15) 0.075(9) Uiso 0.50 1 d PD A 1 H22 H 0.4405 0.1221 0.4091 0.090 Uiso 0.50 1 calc PR A 1 C23 C 0.4586(6) 0.2511(18) 0.4245(13) 0.068(8) Uiso 0.50 1 d PD A 1 C24 C 0.4525(5) 0.3409(17) 0.4042(11) 0.052(6) Uiso 0.50 1 d PD A 1 H24 H 0.4657 0.3886 0.4256 0.062 Uiso 0.50 1 calc PR A 1 C25 C 0.4271(7) 0.3588(15) 0.3526(14) 0.062(10) Uiso 0.50 1 d PD A 1 H25 H 0.4254 0.4184 0.3348 0.075 Uiso 0.50 1 calc PR A 1 N2 N 0.5002(5) 0.2909(17) 0.5192(10) 0.062(6) Uiso 0.50 1 d PD A 1 H2A H 0.4900 0.3433 0.5195 0.075 Uiso 0.50 1 calc PR A 1 C20 C 0.4882(8) 0.2263(19) 0.4746(15) 0.077(8) Uiso 0.50 1 d PD A 1 O1 O 0.5009(5) 0.1501(13) 0.4813(10) 0.065(6) Uiso 0.50 1 d PD A 1 N3A N 0.4052(3) 0.2992(8) 0.3267(6) 0.070(3) Uani 0.50 1 d PD . 2 C21A C 0.4130(8) 0.2261(15) 0.3636(17) 0.075(14) Uiso 0.50 1 d PD A 2 H21A H 0.3997 0.1734 0.3552 0.090 Uiso 0.50 1 calc PR A 2 C22A C 0.4402(5) 0.2244(15) 0.4144(11) 0.048(6) Uiso 0.50 1 d PD A 2 H22A H 0.4471 0.1697 0.4372 0.057 Uiso 0.50 1 calc PR A 2 C23A C 0.4565(4) 0.3034(14) 0.4306(9) 0.034(5) Uiso 0.50 1 d PD A 2 C24A C 0.4452(5) 0.3856(14) 0.4017(10) 0.044(5) Uiso 0.50 1 d PD A 2 H24A H 0.4542 0.4423 0.4172 0.052 Uiso 0.50 1 calc PR A 2 C25A C 0.4195(7) 0.3774(13) 0.3483(12) 0.050(8) Uiso 0.50 1 d PD A 2 H25A H 0.4116 0.4310 0.3254 0.060 Uiso 0.50 1 calc PR A 2 N2A N 0.4838(4) 0.3103(12) 0.4852(8) 0.044(4) Uiso 0.50 1 d PD A 2 H2A1 H 0.4894 0.3645 0.5009 0.052 Uiso 0.50 1 calc PR A 2 C20A C 0.5013(6) 0.2393(17) 0.5137(12) 0.048(6) Uiso 0.50 1 d PD A 2 O1A O 0.4919(5) 0.1603(13) 0.5034(11) 0.067(6) Uiso 0.50 1 d PD A 2 C26 C 0.5957(8) 0.257(2) 0.9598(15) 0.237(16) Uiso 1 1 d . . . H26A H 0.6037 0.2906 1.0010 0.355 Uiso 1 1 calc R . . H26B H 0.6021 0.1932 0.9659 0.355 Uiso 1 1 calc R . . H26C H 0.5714 0.2613 0.9502 0.355 Uiso 1 1 calc R . . C27 C 0.6108(5) 0.296(2) 0.9017(9) 0.158(12) Uani 1 1 d . . . H27A H 0.6352 0.2960 0.9147 0.189 Uiso 1 1 calc R . . H27B H 0.6036 0.3596 0.8963 0.189 Uiso 1 1 calc R . . C28 C 0.5347(9) 0.187(2) 0.8417(18) 0.28(2) Uiso 1 1 d . . . H28A H 0.5112 0.1934 0.8228 0.427 Uiso 1 1 calc R . . H28B H 0.5385 0.2143 0.8868 0.427 Uiso 1 1 calc R . . H28C H 0.5406 0.1229 0.8449 0.427 Uiso 1 1 calc R . . C29 C 0.5565(3) 0.2356(10) 0.7953(8) 0.074(4) Uani 1 1 d . . . H29A H 0.5488 0.2991 0.7913 0.089 Uiso 1 1 calc R . . H29B H 0.5510 0.2083 0.7499 0.089 Uiso 1 1 calc R . . C30 C 0.6101(5) 0.0700(14) 0.7595(10) 0.128(7) Uiso 1 1 d . . . H30A H 0.6175 0.0073 0.7668 0.191 Uiso 1 1 calc R . . H30B H 0.6234 0.0995 0.7284 0.191 Uiso 1 1 calc R . . H30C H 0.5866 0.0709 0.7399 0.191 Uiso 1 1 calc R . . C31 C 0.6146(5) 0.1206(13) 0.8271(8) 0.120(8) Uani 1 1 d . . . H31A H 0.6383 0.1184 0.8475 0.144 Uiso 1 1 calc R . . H31B H 0.6013 0.0909 0.8585 0.144 Uiso 1 1 calc R . . C32 C 0.7297(5) 0.3898(14) 0.6349(10) 0.128(7) Uiso 1 1 d . . . H32A H 0.7516 0.4027 0.6604 0.192 Uiso 1 1 calc R . . H32B H 0.7221 0.4419 0.6066 0.192 Uiso 1 1 calc R . . H32C H 0.7311 0.3366 0.6063 0.192 Uiso 1 1 calc R . . C33 C 0.7047(3) 0.3712(13) 0.6845(8) 0.084(5) Uani 1 1 d . . . H33A H 0.7048 0.4247 0.7142 0.101 Uiso 1 1 calc R . . H33B H 0.7135 0.3200 0.7135 0.101 Uiso 1 1 calc R . . C34 C 0.6566(7) 0.4716(17) 0.5395(12) 0.170(11) Uiso 1 1 d . . . H34A H 0.6448 0.5248 0.5189 0.255 Uiso 1 1 calc R . . H34B H 0.6535 0.4208 0.5078 0.255 Uiso 1 1 calc R . . H34C H 0.6804 0.4853 0.5502 0.255 Uiso 1 1 calc R . . C35 C 0.6429(5) 0.4468(14) 0.6038(9) 0.109(6) Uani 1 1 d . . . H35A H 0.6187 0.4356 0.5920 0.130 Uiso 1 1 calc R . . H35B H 0.6455 0.4998 0.6343 0.130 Uiso 1 1 calc R . . C36 C 0.6826(6) 0.1693(13) 0.6241(12) 0.138(8) Uiso 1 1 d . . . H36A H 0.6842 0.1234 0.5894 0.207 Uiso 1 1 calc R . . H36B H 0.6696 0.1454 0.6578 0.207 Uiso 1 1 calc R . . H36C H 0.7050 0.1851 0.6461 0.207 Uiso 1 1 calc R . . C37 C 0.6655(4) 0.2537(14) 0.5913(8) 0.107(7) Uani 1 1 d . . . H37A H 0.6430 0.2371 0.5689 0.129 Uiso 1 1 calc R . . H37B H 0.6783 0.2760 0.5561 0.129 Uiso 1 1 calc R . . C38 C 0.6048(5) 0.8643(12) 0.8691(10) 0.111(6) Uiso 1 1 d . . . H38A H 0.6100 0.9071 0.9065 0.166 Uiso 1 1 calc R . . H38B H 0.5829 0.8787 0.8440 0.166 Uiso 1 1 calc R . . H38C H 0.6217 0.8686 0.8389 0.166 Uiso 1 1 calc R . . C39 C 0.6043(5) 0.7684(12) 0.8971(8) 0.101(6) Uani 1 1 d . . . H39A H 0.5876 0.7651 0.9284 0.121 Uiso 1 1 calc R . . H39B H 0.6263 0.7550 0.9233 0.121 Uiso 1 1 calc R . . C40 C 0.5263(4) 0.7296(11) 0.8390(8) 0.091(5) Uiso 1 1 d . . . H40A H 0.5052 0.7485 0.8126 0.136 Uiso 1 1 calc R . . H40B H 0.5339 0.7762 0.8724 0.136 Uiso 1 1 calc R . . H40C H 0.5230 0.6727 0.8622 0.136 Uiso 1 1 calc R . . C41 C 0.5525(3) 0.7160(11) 0.7916(7) 0.071(4) Uani 1 1 d . . . H41A H 0.5546 0.7733 0.7670 0.085 Uiso 1 1 calc R . . H41B H 0.5441 0.6698 0.7576 0.085 Uiso 1 1 calc R . . C42 C 0.5810(14) 0.514(3) 0.8076(19) 0.15(2) Uiso 0.50 1 d P B 1 H42A H 0.5774 0.4508 0.8205 0.232 Uiso 0.50 1 calc PR B 1 H42B H 0.5990 0.5159 0.7797 0.232 Uiso 0.50 1 calc PR B 1 H42C H 0.5606 0.5376 0.7820 0.232 Uiso 0.50 1 calc PR B 1 C42A C 0.5707(10) 0.564(3) 0.9312(17) 0.138(16) Uiso 0.50 1 d P B 2 H42D H 0.5704 0.5016 0.9468 0.208 Uiso 0.50 1 calc PR B 2 H42E H 0.5479 0.5848 0.9168 0.208 Uiso 0.50 1 calc PR B 2 H42F H 0.5812 0.6028 0.9681 0.208 Uiso 0.50 1 calc PR B 2 C43 C 0.5906(4) 0.5704(14) 0.8712(11) 0.113(7) Uani 1 1 d . . . H43A H 0.6118 0.5502 0.8974 0.136 Uiso 0.50 1 calc PR B 1 H43B H 0.5729 0.5704 0.9005 0.136 Uiso 0.50 1 calc PR B 1 H43C H 0.5802 0.5284 0.8358 0.136 Uiso 0.50 1 calc PR B 2 H43D H 0.6133 0.5476 0.8867 0.136 Uiso 0.50 1 calc PR B 2 C44 C 0.6853(4) 0.7298(12) 0.5537(9) 0.102(6) Uiso 1 1 d . . . H44A H 0.6736 0.7308 0.5073 0.154 Uiso 1 1 calc R . . H44B H 0.7020 0.6816 0.5582 0.154 Uiso 1 1 calc R . . H44C H 0.6963 0.7882 0.5641 0.154 Uiso 1 1 calc R . . C45 C 0.6604(4) 0.7126(12) 0.6025(7) 0.078(4) Uani 1 1 d . . . H45A H 0.6487 0.6554 0.5890 0.093 Uiso 1 1 calc R . . H45B H 0.6436 0.7615 0.5962 0.093 Uiso 1 1 calc R . . C46 C 0.6756(4) 0.8938(11) 0.7064(9) 0.101(6) Uiso 1 1 d . . . H46A H 0.6897 0.9468 0.7182 0.152 Uiso 1 1 calc R . . H46B H 0.6593 0.8884 0.7381 0.152 Uiso 1 1 calc R . . H46C H 0.6638 0.9006 0.6604 0.152 Uiso 1 1 calc R . . C47 C 0.6973(4) 0.8086(11) 0.7105(9) 0.104(6) Uani 1 1 d . . . H47A H 0.7094 0.8037 0.7569 0.124 Uiso 1 1 calc R . . H47B H 0.7140 0.8160 0.6795 0.124 Uiso 1 1 calc R . . C48 C 0.7388(4) 0.6287(12) 0.7470(9) 0.101(5) Uiso 1 1 d . . . H48A H 0.7543 0.5785 0.7443 0.151 Uiso 1 1 calc R . . H48B H 0.7320 0.6301 0.7920 0.151 Uiso 1 1 calc R . . H48C H 0.7498 0.6858 0.7387 0.151 Uiso 1 1 calc R . . C49 C 0.7082(4) 0.6160(15) 0.6939(9) 0.115(7) Uani 1 1 d . . . H49A H 0.6979 0.5572 0.7022 0.138 Uiso 1 1 calc R . . H49B H 0.7157 0.6124 0.6490 0.138 Uiso 1 1 calc R . . N4 N 0.6100(5) -0.0052(12) 0.5572(11) 0.094(6) Uiso 0.75 1 d PD . . O2 O 0.6179(5) 0.0668(12) 0.5319(10) 0.136(7) Uiso 0.75 1 d PD . . O3 O 0.6222(5) -0.0834(12) 0.5442(10) 0.127(6) Uiso 0.75 1 d PD . . O4 O 0.5970(6) -0.0060(12) 0.6060(12) 0.136(7) Uiso 0.75 1 d P . . N6 N 0.6937(5) 0.9895(13) 0.9266(10) 0.094(6) Uiso 0.75 1 d PD . . O8 O 0.6899(5) 0.9968(11) 0.8646(10) 0.119(6) Uiso 0.75 1 d PD . . O9 O 0.6963(7) 0.9132(17) 0.9601(13) 0.210(12) Uiso 0.75 1 d PD . . O10 O 0.6836(9) 1.041(2) 0.9774(19) 0.249(15) Uiso 0.75 1 d P . . N5 N 0.5305(5) 0.4986(15) 0.4810(14) 0.087(8) Uiso 0.50 1 d PD C 1 O5 O 0.5468(5) 0.5665(14) 0.4633(11) 0.094(7) Uiso 0.50 1 d PD C 1 O6 O 0.5000 0.5000 0.5000 0.095(5) Uiso 1 2 d SD . 1 O7 O 0.5523(7) 0.4269(18) 0.4860(14) 0.123(9) Uiso 0.50 1 d P C 1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0347(3) 0.0960(4) 0.0445(3) -0.0072(3) -0.00409(19) 0.0119(2) Pt2 0.0348(3) 0.1052(5) 0.0449(3) -0.0176(3) -0.0052(2) -0.0049(3) P1 0.045(2) 0.116(3) 0.057(2) 0.007(2) 0.0020(16) 0.011(2) P2 0.050(2) 0.134(4) 0.051(2) -0.007(2) 0.0062(17) 0.008(2) P3 0.0379(19) 0.132(4) 0.054(2) -0.020(2) -0.0027(15) -0.009(2) P4 0.049(2) 0.093(3) 0.050(2) -0.0151(18) 0.0052(15) -0.0052(18) C1 0.045(7) 0.113(11) 0.046(7) -0.007(7) 0.004(6) 0.014(7) C2 0.057(8) 0.106(11) 0.076(9) -0.002(8) 0.005(7) 0.038(8) C3 0.058(9) 0.114(12) 0.083(10) 0.002(9) 0.009(8) 0.037(8) C4 0.037(7) 0.130(12) 0.063(9) 0.011(9) 0.004(6) 0.009(8) C5 0.041(7) 0.113(11) 0.064(8) 0.003(8) -0.003(6) 0.013(7) C6 0.058(9) 0.108(11) 0.076(10) -0.003(9) -0.020(7) -0.009(8) C7 0.051(8) 0.111(11) 0.054(8) -0.008(8) -0.007(6) -0.025(8) C8 0.052(8) 0.154(14) 0.066(9) 0.005(10) -0.011(7) -0.035(9) C9 0.063(9) 0.092(10) 0.057(8) -0.022(7) 0.003(7) -0.022(8) C10 0.047(7) 0.102(10) 0.061(8) -0.014(7) 0.001(6) -0.015(7) C11 0.042(7) 0.105(10) 0.050(7) -0.020(7) 0.007(5) -0.025(7) C12 0.030(6) 0.108(11) 0.056(7) 0.003(7) -0.003(5) -0.012(7) C13 0.037(6) 0.097(10) 0.050(7) -0.020(7) -0.003(5) 0.001(6) C14 0.041(7) 0.099(10) 0.050(7) 0.003(7) 0.004(5) 0.017(7) N1 0.054(7) 0.077(8) 0.045(6) -0.006(5) -0.011(5) 0.009(6) C15 0.056(8) 0.080(10) 0.054(8) 0.004(7) -0.007(6) 0.012(7) C16 0.054(8) 0.067(9) 0.053(8) 0.021(7) 0.002(6) 0.013(6) C17 0.047(8) 0.108(12) 0.038(7) 0.010(7) -0.005(6) -0.013(8) C18 0.053(8) 0.113(12) 0.045(8) -0.013(7) 0.005(6) 0.001(8) C19 0.036(7) 0.088(10) 0.059(8) 0.006(7) 0.006(6) -0.007(6) N3 0.045(6) 0.109(10) 0.057(7) -0.015(6) 0.009(5) -0.021(6) N3A 0.045(6) 0.109(10) 0.057(7) -0.015(6) 0.009(5) -0.021(6) C27 0.057(11) 0.35(4) 0.064(12) 0.031(16) -0.003(9) -0.032(16) C29 0.043(8) 0.079(10) 0.101(12) 0.023(9) 0.015(7) 0.000(7) C31 0.115(15) 0.163(19) 0.086(13) 0.076(13) 0.032(11) 0.045(14) C33 0.055(9) 0.115(13) 0.087(11) -0.002(10) 0.029(8) 0.005(9) C35 0.101(14) 0.138(16) 0.098(14) 0.016(12) 0.049(11) -0.001(12) C37 0.066(11) 0.20(2) 0.056(10) -0.008(12) 0.010(8) -0.013(12) C39 0.090(13) 0.158(18) 0.059(10) -0.034(11) 0.025(9) -0.037(12) C41 0.041(7) 0.114(12) 0.058(9) -0.005(8) 0.012(6) -0.002(7) C43 0.073(12) 0.146(18) 0.130(17) 0.039(14) 0.048(11) 0.026(12) C45 0.064(10) 0.113(13) 0.058(9) -0.009(8) 0.014(7) -0.011(9) C47 0.075(12) 0.156(18) 0.075(12) -0.013(11) -0.005(9) -0.043(11) C49 0.058(11) 0.17(2) 0.117(16) -0.020(14) 0.009(10) 0.009(11) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C1 2.026(14) . ? Pt1 N1 2.114(10) . ? Pt1 P2 2.306(4) . ? Pt1 P1 2.320(4) . ? Pt2 C11 2.009(14) . ? Pt2 N3 2.132(11) 5_666 ? Pt2 N3A 2.132(11) 5_666 ? Pt2 P4 2.320(4) . ? Pt2 P3 2.333(4) . ? P1 C29 1.812(13) . ? P1 C31 1.836(18) . ? P1 C27 1.93(2) . ? P2 C33 1.808(15) . ? P2 C37 1.854(18) . ? P2 C35 1.885(19) . ? P3 C45 1.778(15) . ? P3 C47 1.783(16) . ? P3 C49 1.873(19) . ? P4 C43 1.843(19) . ? P4 C39 1.846(15) . ? P4 C41 1.853(13) . ? C1 C14 1.38(2) . ? C1 C2 1.408(19) . ? C2 C3 1.43(2) . ? C2 H2 0.9500 . ? C3 C4 1.31(2) . ? C3 H3 0.9500 . ? C4 C5 1.39(2) . ? C4 H4 0.9500 . ? C5 C14 1.450(17) . ? C5 C6 1.48(2) . ? C6 C7 1.35(2) . ? C6 H6 0.9500 . ? C7 C8 1.45(2) . ? C7 C12 1.476(17) . ? C8 C9 1.30(2) . ? C8 H8 0.9500 . ? C9 C10 1.455(19) . ? C9 H9 0.9500 . ? C10 C11 1.466(19) . ? C10 H10 0.9500 . ? C11 C12 1.42(2) . ? C12 C13 1.437(19) . ? C13 C14 1.411(19) . ? C13 H13 0.9500 . ? N1 C19 1.311(13) . ? N1 C15 1.348(13) . ? C15 C16 1.383(15) . ? C15 H15 0.9500 . ? C16 C17 1.369(16) . ? C16 H16 0.9500 . ? C17 C18 1.404(17) . ? C17 N2 1.464(19) . ? C17 C20A 1.56(3) . ? C18 C19 1.375(15) . ? C18 H18 0.9500 . ? C19 H19 0.9500 . ? N3 C25 1.308(16) . ? N3 C21 1.353(17) . ? N3 Pt2 2.132(11) 5_666 ? C21 C22 1.39(2) . ? C21 H21 0.9500 . ? C22 C23 1.38(2) . ? C22 H22 0.9500 . ? C23 C24 1.40(2) . ? C23 C20 1.50(3) . ? C24 C25 1.377(19) . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? N2 C20 1.35(2) . ? N2 H2A 0.8800 . ? C20 O1 1.24(3) . ? C21A C22A 1.39(2) . ? C21A H21A 0.9500 . ? C22A C23A 1.36(2) . ? C22A H22A 0.9500 . ? C23A C24A 1.40(2) . ? C23A N2A 1.446(19) . ? C24A C25A 1.386(19) . ? C24A H24A 0.9500 . ? C25A H25A 0.9500 . ? N2A C20A 1.35(2) . ? N2A H2A1 0.8800 . ? C20A O1A 1.24(3) . ? C26 C27 1.504(15) . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C28 C29 1.546(16) . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29A 0.9900 . ? C29 H29B 0.9900 . ? C30 C31 1.534(14) . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 H31A 0.9900 . ? C31 H31B 0.9900 . ? C32 C33 1.540(14) . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? C34 C35 1.518(15) . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 H35A 0.9900 . ? C35 H35B 0.9900 . ? C36 C37 1.530(14) . ? C36 H36A 0.9800 . ? C36 H36B 0.9800 . ? C36 H36C 0.9800 . ? C37 H37A 0.9900 . ? C37 H37B 0.9900 . ? C38 C39 1.526(14) . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 H39A 0.9900 . ? C39 H39B 0.9900 . ? C40 C41 1.537(13) . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? C40 H40C 0.9800 . ? C41 H41A 0.9900 . ? C41 H41B 0.9900 . ? C42 C43 1.527(16) . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? C42A C43 1.542(16) . ? C42A H42D 0.9800 . ? C42A H42E 0.9800 . ? C42A H42F 0.9800 . ? C43 H43A 0.9900 . ? C43 H43B 0.9900 . ? C43 H43C 0.9900 . ? C43 H43D 0.9900 . ? C44 C45 1.524(13) . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? C45 H45A 0.9900 . ? C45 H45B 0.9900 . ? C46 C47 1.533(14) . ? C46 H46A 0.9800 . ? C46 H46B 0.9800 . ? C46 H46C 0.9800 . ? C47 H47A 0.9900 . ? C47 H47B 0.9900 . ? C48 C49 1.529(14) . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 H49A 0.9900 . ? C49 H49B 0.9900 . ? N4 O4 1.18(3) . ? N4 O2 1.241(17) . ? N4 O3 1.299(17) . ? N6 O8 1.231(18) . ? N6 O9 1.310(19) . ? N6 O10 1.38(4) . ? N5 O5 1.280(19) . ? N5 O6 1.347(19) . ? N5 O7 1.38(3) . ? O6 N5 1.347(19) 5_666 ? 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 C1 Pt1 N1 179.3(5) . . ? C1 Pt1 P2 90.2(4) . . ? N1 Pt1 P2 90.5(3) . . ? C1 Pt1 P1 88.5(4) . . ? N1 Pt1 P1 90.7(3) . . ? P2 Pt1 P1 170.15(17) . . ? C11 Pt2 N3 176.0(5) . 5_666 ? C11 Pt2 N3A 176.0(5) . 5_666 ? N3 Pt2 N3A 0.0(7) 5_666 5_666 ? C11 Pt2 P4 88.6(4) . . ? N3 Pt2 P4 90.7(3) 5_666 . ? N3A Pt2 P4 90.7(3) 5_666 . ? C11 Pt2 P3 88.3(4) . . ? N3 Pt2 P3 93.1(3) 5_666 . ? N3A Pt2 P3 93.1(3) 5_666 . ? P4 Pt2 P3 169.20(14) . . ? C29 P1 C31 105.7(8) . . ? C29 P1 C27 105.3(8) . . ? C31 P1 C27 105.8(10) . . ? C29 P1 Pt1 116.9(5) . . ? C31 P1 Pt1 109.5(6) . . ? C27 P1 Pt1 112.8(7) . . ? C33 P2 C37 102.7(8) . . ? C33 P2 C35 108.7(9) . . ? C37 P2 C35 107.8(8) . . ? C33 P2 Pt1 114.5(5) . . ? C37 P2 Pt1 112.4(6) . . ? C35 P2 Pt1 110.3(5) . . ? C45 P3 C47 105.3(8) . . ? C45 P3 C49 102.8(8) . . ? C47 P3 C49 105.5(8) . . ? C45 P3 Pt2 113.0(5) . . ? C47 P3 Pt2 112.9(6) . . ? C49 P3 Pt2 116.2(7) . . ? C43 P4 C39 109.5(9) . . ? C43 P4 C41 107.4(8) . . ? C39 P4 C41 101.6(8) . . ? C43 P4 Pt2 112.7(6) . . ? C39 P4 Pt2 111.8(5) . . ? C41 P4 Pt2 113.2(4) . . ? C14 C1 C2 117.5(13) . . ? C14 C1 Pt1 125.6(11) . . ? C2 C1 Pt1 116.9(12) . . ? C1 C2 C3 122.4(16) . . ? C1 C2 H2 118.8 . . ? C3 C2 H2 118.8 . . ? C4 C3 C2 119.0(15) . . ? C4 C3 H3 120.5 . . ? C2 C3 H3 120.5 . . ? C3 C4 C5 121.7(15) . . ? C3 C4 H4 119.2 . . ? C5 C4 H4 119.2 . . ? C4 C5 C14 120.3(15) . . ? C4 C5 C6 121.0(13) . . ? C14 C5 C6 118.7(14) . . ? C7 C6 C5 123.0(13) . . ? C7 C6 H6 118.5 . . ? C5 C6 H6 118.5 . . ? C6 C7 C8 121.8(14) . . ? C6 C7 C12 120.1(14) . . ? C8 C7 C12 118.0(15) . . ? C9 C8 C7 123.0(14) . . ? C9 C8 H8 118.5 . . ? C7 C8 H8 118.5 . . ? C8 C9 C10 121.9(14) . . ? C8 C9 H9 119.1 . . ? C10 C9 H9 119.1 . . ? C9 C10 C11 118.4(15) . . ? C9 C10 H10 120.8 . . ? C11 C10 H10 120.8 . . ? C12 C11 C10 119.7(13) . . ? C12 C11 Pt2 125.8(9) . . ? C10 C11 Pt2 114.4(12) . . ? C11 C12 C13 125.4(11) . . ? C11 C12 C7 118.9(13) . . ? C13 C12 C7 115.7(14) . . ? C14 C13 C12 126.1(12) . . ? C14 C13 H13 116.9 . . ? C12 C13 H13 116.9 . . ? C1 C14 C13 124.9(12) . . ? C1 C14 C5 119.0(13) . . ? C13 C14 C5 116.0(14) . . ? C19 N1 C15 116.7(11) . . ? C19 N1 Pt1 121.9(8) . . ? C15 N1 Pt1 121.2(8) . . ? N1 C15 C16 123.4(12) . . ? N1 C15 H15 118.3 . . ? C16 C15 H15 118.3 . . ? C17 C16 C15 118.3(11) . . ? C17 C16 H16 120.8 . . ? C15 C16 H16 120.8 . . ? C16 C17 C18 119.3(11) . . ? C16 C17 N2 105.8(14) . . ? C18 C17 N2 134.4(15) . . ? C16 C17 C20A 133.2(14) . . ? C18 C17 C20A 107.4(14) . . ? N2 C17 C20A 29.4(11) . . ? C19 C18 C17 117.1(12) . . ? C19 C18 H18 121.5 . . ? C17 C18 H18 121.5 . . ? N1 C19 C18 125.1(12) . . ? N1 C19 H19 117.4 . . ? C18 C19 H19 117.4 . . ? C25 N3 C21 114.5(17) . . ? C25 N3 Pt2 126.6(13) . 5_666 ? C21 N3 Pt2 118.0(12) . 5_666 ? N3 C21 C22 128(2) . . ? N3 C21 H21 116.2 . . ? C22 C21 H21 116.2 . . ? C23 C22 C21 114.6(19) . . ? C23 C22 H22 122.7 . . ? C21 C22 H22 122.7 . . ? C22 C23 C24 119.6(17) . . ? C22 C23 C20 119(2) . . ? C24 C23 C20 121(2) . . ? C25 C24 C23 118.9(18) . . ? C25 C24 H24 120.6 . . ? C23 C24 H24 120.6 . . ? N3 C25 C24 124.2(19) . . ? N3 C25 H25 117.9 . . ? C24 C25 H25 117.9 . . ? C20 N2 C17 120(2) . . ? C20 N2 H2A 120.0 . . ? C17 N2 H2A 120.0 . . ? O1 C20 N2 118(3) . . ? O1 C20 C23 125(3) . . ? N2 C20 C23 117(2) . . ? C22A C21A H21A 119.1 . . ? C23A C22A C21A 117.9(18) . . ? C23A C22A H22A 121.1 . . ? C21A C22A H22A 121.1 . . ? C22A C23A C24A 122.0(15) . . ? C22A C23A N2A 122.4(18) . . ? C24A C23A N2A 115.1(16) . . ? C25A C24A C23A 114.2(17) . . ? C25A C24A H24A 122.9 . . ? C23A C24A H24A 122.9 . . ? C24A C25A H25A 117.6 . . ? C20A N2A C23A 124.4(19) . . ? C20A N2A H2A1 117.8 . . ? C23A N2A H2A1 117.8 . . ? O1A C20A N2A 122(2) . . ? O1A C20A C17 127.3(18) . . ? N2A C20A C17 109.7(19) . . ? C27 C26 H26A 109.5 . . ? C27 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C27 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C26 C27 P1 119(2) . . ? C26 C27 H27A 107.6 . . ? P1 C27 H27A 107.6 . . ? C26 C27 H27B 107.6 . . ? P1 C27 H27B 107.6 . . ? H27A C27 H27B 107.0 . . ? C29 C28 H28A 109.5 . . ? C29 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C29 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C28 C29 P1 122.1(18) . . ? C28 C29 H29A 106.8 . . ? P1 C29 H29A 106.8 . . ? C28 C29 H29B 106.8 . . ? P1 C29 H29B 106.8 . . ? H29A C29 H29B 106.7 . . ? C31 C30 H30A 109.5 . . ? C31 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C31 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C30 C31 P1 110.2(12) . . ? C30 C31 H31A 109.6 . . ? P1 C31 H31A 109.6 . . ? C30 C31 H31B 109.6 . . ? P1 C31 H31B 109.6 . . ? H31A C31 H31B 108.1 . . ? C33 C32 H32A 109.5 . . ? C33 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C33 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C32 C33 P2 119.9(12) . . ? C32 C33 H33A 107.3 . . ? P2 C33 H33A 107.3 . . ? C32 C33 H33B 107.3 . . ? P2 C33 H33B 107.3 . . ? H33A C33 H33B 106.9 . . ? C35 C34 H34A 109.5 . . ? C35 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? C35 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C34 C35 P2 117.3(15) . . ? C34 C35 H35A 108.0 . . ? P2 C35 H35A 108.0 . . ? C34 C35 H35B 108.0 . . ? P2 C35 H35B 108.0 . . ? H35A C35 H35B 107.2 . . ? C37 C36 H36A 109.5 . . ? C37 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C37 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C36 C37 P2 113.1(13) . . ? C36 C37 H37A 109.0 . . ? P2 C37 H37A 109.0 . . ? C36 C37 H37B 109.0 . . ? P2 C37 H37B 109.0 . . ? H37A C37 H37B 107.8 . . ? C39 C38 H38A 109.5 . . ? C39 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C39 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C38 C39 P4 113.6(12) . . ? C38 C39 H39A 108.9 . . ? P4 C39 H39A 108.9 . . ? C38 C39 H39B 108.9 . . ? P4 C39 H39B 108.9 . . ? H39A C39 H39B 107.7 . . ? C41 C40 H40A 109.5 . . ? C41 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C41 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C40 C41 P4 116.9(10) . . ? C40 C41 H41A 108.1 . . ? P4 C41 H41A 108.1 . . ? C40 C41 H41B 108.1 . . ? P4 C41 H41B 108.1 . . ? H41A C41 H41B 107.3 . . ? C43 C42 H42A 109.5 . . ? C43 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C43 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C43 C42A H42D 109.5 . . ? C43 C42A H42E 109.5 . . ? H42D C42A H42E 109.5 . . ? C43 C42A H42F 109.5 . . ? H42D C42A H42F 109.5 . . ? H42E C42A H42F 109.5 . . ? C42 C43 C42A 121(3) . . ? C42 C43 P4 99(2) . . ? C42A C43 P4 119(2) . . ? C42 C43 H43A 112.0 . . ? C42A C43 H43A 94.8 . . ? P4 C43 H43A 112.0 . . ? C42 C43 H43B 112.0 . . ? C42A C43 H43B 14.9 . . ? P4 C43 H43B 112.0 . . ? H43A C43 H43B 109.7 . . ? C42 C43 H43C 13.5 . . ? C42A C43 H43C 107.7 . . ? P4 C43 H43C 107.7 . . ? H43A C43 H43C 116.1 . . ? H43B C43 H43C 98.9 . . ? C42 C43 H43D 100.9 . . ? C42A C43 H43D 107.7 . . ? P4 C43 H43D 107.7 . . ? H43A C43 H43D 13.5 . . ? H43B C43 H43D 122.4 . . ? H43C C43 H43D 107.1 . . ? C45 C44 H44A 109.5 . . ? C45 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? C45 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C44 C45 P3 118.5(12) . . ? C44 C45 H45A 107.7 . . ? P3 C45 H45A 107.7 . . ? C44 C45 H45B 107.7 . . ? P3 C45 H45B 107.7 . . ? H45A C45 H45B 107.1 . . ? C47 C46 H46A 109.5 . . ? C47 C46 H46B 109.5 . . ? H46A C46 H46B 109.5 . . ? C47 C46 H46C 109.5 . . ? H46A C46 H46C 109.5 . . ? H46B C46 H46C 109.5 . . ? C46 C47 P3 115.3(12) . . ? C46 C47 H47A 108.4 . . ? P3 C47 H47A 108.4 . . ? C46 C47 H47B 108.4 . . ? P3 C47 H47B 108.4 . . ? H47A C47 H47B 107.5 . . ? C49 C48 H48A 109.5 . . ? C49 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C49 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C48 C49 P3 116.3(14) . . ? C48 C49 H49A 108.2 . . ? P3 C49 H49A 108.2 . . ? C48 C49 H49B 108.2 . . ? P3 C49 H49B 108.2 . . ? H49A C49 H49B 107.4 . . ? O4 N4 O2 121(2) . . ? O4 N4 O3 113(2) . . ? O2 N4 O3 124(2) . . ? O8 N6 O9 125(2) . . ? O8 N6 O10 133(2) . . ? O9 N6 O10 96(2) . . ? O5 N5 O6 127(2) . . ? O5 N5 O7 106(2) . . ? O6 N5 O7 127(2) . . ? N5 O6 N5 180.0(5) . 5_666 ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C1 Pt1 P1 C29 162.5(8) . . . . ? N1 Pt1 P1 C29 -17.6(7) . . . . ? P2 Pt1 P1 C29 -114.7(10) . . . . ? C1 Pt1 P1 C31 -77.3(8) . . . . ? N1 Pt1 P1 C31 102.6(7) . . . . ? P2 Pt1 P1 C31 5.4(11) . . . . ? C1 Pt1 P1 C27 40.2(9) . . . . ? N1 Pt1 P1 C27 -139.9(9) . . . . ? P2 Pt1 P1 C27 123.0(11) . . . . ? C1 Pt1 P2 C33 -1.6(8) . . . . ? N1 Pt1 P2 C33 178.6(7) . . . . ? P1 Pt1 P2 C33 -84.2(11) . . . . ? C1 Pt1 P2 C37 115.1(7) . . . . ? N1 Pt1 P2 C37 -64.7(6) . . . . ? P1 Pt1 P2 C37 32.5(11) . . . . ? C1 Pt1 P2 C35 -124.6(9) . . . . ? N1 Pt1 P2 C35 55.6(8) . . . . ? P1 Pt1 P2 C35 152.8(10) . . . . ? C11 Pt2 P3 C45 167.3(8) . . . . ? N3 Pt2 P3 C45 -8.9(7) 5_666 . . . ? N3A Pt2 P3 C45 -8.9(7) 5_666 . . . ? P4 Pt2 P3 C45 -119.5(9) . . . . ? C11 Pt2 P3 C47 -73.3(8) . . . . ? N3 Pt2 P3 C47 110.4(7) 5_666 . . . ? N3A Pt2 P3 C47 110.4(7) 5_666 . . . ? P4 Pt2 P3 C47 -0.2(11) . . . . ? C11 Pt2 P3 C49 48.8(8) . . . . ? N3 Pt2 P3 C49 -127.5(7) 5_666 . . . ? N3A Pt2 P3 C49 -127.5(7) 5_666 . . . ? P4 Pt2 P3 C49 121.9(9) . . . . ? C11 Pt2 P4 C43 -63.2(9) . . . . ? N3 Pt2 P4 C43 112.8(9) 5_666 . . . ? N3A Pt2 P4 C43 112.8(9) 5_666 . . . ? P3 Pt2 P4 C43 -136.3(10) . . . . ? C11 Pt2 P4 C39 60.6(8) . . . . ? N3 Pt2 P4 C39 -123.3(7) 5_666 . . . ? N3A Pt2 P4 C39 -123.3(7) 5_666 . . . ? P3 Pt2 P4 C39 -12.5(11) . . . . ? C11 Pt2 P4 C41 174.6(7) . . . . ? N3 Pt2 P4 C41 -9.3(7) 5_666 . . . ? N3A Pt2 P4 C41 -9.3(7) 5_666 . . . ? P3 Pt2 P4 C41 101.5(9) . . . . ? N1 Pt1 C1 C14 -111(43) . . . . ? P2 Pt1 C1 C14 85.9(12) . . . . ? P1 Pt1 C1 C14 -103.8(12) . . . . ? N1 Pt1 C1 C2 69(43) . . . . ? P2 Pt1 C1 C2 -94.4(11) . . . . ? P1 Pt1 C1 C2 75.9(11) . . . . ? C14 C1 C2 C3 3(2) . . . . ? Pt1 C1 C2 C3 -176.2(12) . . . . ? C1 C2 C3 C4 0(3) . . . . ? C2 C3 C4 C5 -3(2) . . . . ? C3 C4 C5 C14 2(2) . . . . ? C3 C4 C5 C6 -176.1(15) . . . . ? C4 C5 C6 C7 172.7(15) . . . . ? C14 C5 C6 C7 -6(2) . . . . ? C5 C6 C7 C8 -177.0(15) . . . . ? C5 C6 C7 C12 3(2) . . . . ? C6 C7 C8 C9 177.5(16) . . . . ? C12 C7 C8 C9 -2(2) . . . . ? C7 C8 C9 C10 3(2) . . . . ? C8 C9 C10 C11 -1(2) . . . . ? C9 C10 C11 C12 -0.4(19) . . . . ? C9 C10 C11 Pt2 -177.3(10) . . . . ? N3 Pt2 C11 C12 16(7) 5_666 . . . ? N3A Pt2 C11 C12 16(7) 5_666 . . . ? P4 Pt2 C11 C12 96.0(11) . . . . ? P3 Pt2 C11 C12 -94.3(11) . . . . ? N3 Pt2 C11 C10 -168(6) 5_666 . . . ? N3A Pt2 C11 C10 -168(6) 5_666 . . . ? P4 Pt2 C11 C10 -87.3(9) . . . . ? P3 Pt2 C11 C10 82.3(9) . . . . ? C10 C11 C12 C13 179.8(12) . . . . ? Pt2 C11 C12 C13 -3.7(19) . . . . ? C10 C11 C12 C7 0.7(19) . . . . ? Pt2 C11 C12 C7 177.2(10) . . . . ? C6 C7 C12 C11 -179.3(14) . . . . ? C8 C7 C12 C11 1(2) . . . . ? C6 C7 C12 C13 2(2) . . . . ? C8 C7 C12 C13 -178.6(13) . . . . ? C11 C12 C13 C14 177.4(13) . . . . ? C7 C12 C13 C14 -3(2) . . . . ? C2 C1 C14 C13 171.8(13) . . . . ? Pt1 C1 C14 C13 -8(2) . . . . ? C2 C1 C14 C5 -5(2) . . . . ? Pt1 C1 C14 C5 175.2(10) . . . . ? C12 C13 C14 C1 -175.6(13) . . . . ? C12 C13 C14 C5 1(2) . . . . ? C4 C5 C14 C1 2(2) . . . . ? C6 C5 C14 C1 -179.8(14) . . . . ? C4 C5 C14 C13 -174.7(13) . . . . ? C6 C5 C14 C13 3.6(19) . . . . ? C1 Pt1 N1 C19 -86(43) . . . . ? P2 Pt1 N1 C19 77.2(11) . . . . ? P1 Pt1 N1 C19 -93.0(11) . . . . ? C1 Pt1 N1 C15 89(43) . . . . ? P2 Pt1 N1 C15 -107.3(11) . . . . ? P1 Pt1 N1 C15 82.4(11) . . . . ? C19 N1 C15 C16 -2(2) . . . . ? Pt1 N1 C15 C16 -177.3(10) . . . . ? N1 C15 C16 C17 1(2) . . . . ? C15 C16 C17 C18 0(2) . . . . ? C15 C16 C17 N2 -172.6(14) . . . . ? C15 C16 C17 C20A 175.0(16) . . . . ? C16 C17 C18 C19 0(2) . . . . ? N2 C17 C18 C19 170.3(18) . . . . ? C20A C17 C18 C19 -176.0(14) . . . . ? C15 N1 C19 C18 2(2) . . . . ? Pt1 N1 C19 C18 177.6(11) . . . . ? C17 C18 C19 N1 -1(2) . . . . ? C25 N3 C21 C22 4(5) . . . . ? Pt2 N3 C21 C22 173(3) 5_666 . . . ? N3 C21 C22 C23 0(5) . . . . ? C21 C22 C23 C24 1(4) . . . . ? C21 C22 C23 C20 -177(3) . . . . ? C22 C23 C24 C25 -5(4) . . . . ? C20 C23 C24 C25 173(3) . . . . ? C21 N3 C25 C24 -8(4) . . . . ? Pt2 N3 C25 C24 -177(2) 5_666 . . . ? C23 C24 C25 N3 9(5) . . . . ? C16 C17 N2 C20 -174(2) . . . . ? C18 C17 N2 C20 15(3) . . . . ? C20A C17 N2 C20 -12(3) . . . . ? C17 N2 C20 O1 9(4) . . . . ? C17 N2 C20 C23 -176(2) . . . . ? C22 C23 C20 O1 20(5) . . . . ? C24 C23 C20 O1 -158(3) . . . . ? C22 C23 C20 N2 -155(3) . . . . ? C24 C23 C20 N2 27(4) . . . . ? C21A C22A C23A C24A 5(4) . . . . ? C21A C22A C23A N2A 176(3) . . . . ? C22A C23A C24A C25A -10(3) . . . . ? N2A C23A C24A C25A 178(2) . . . . ? C22A C23A N2A C20A 18(3) . . . . ? C24A C23A N2A C20A -171(2) . . . . ? C23A N2A C20A O1A -13(4) . . . . ? C23A N2A C20A C17 175.8(17) . . . . ? C16 C17 C20A O1A -139(2) . . . . ? C18 C17 C20A O1A 36(3) . . . . ? N2 C17 C20A O1A -164(5) . . . . ? C16 C17 C20A N2A 32(3) . . . . ? C18 C17 C20A N2A -153.1(16) . . . . ? N2 C17 C20A N2A 7(2) . . . . ? C29 P1 C27 C26 55(2) . . . . ? C31 P1 C27 C26 -57(2) . . . . ? Pt1 P1 C27 C26 -176(2) . . . . ? C31 P1 C29 C28 53(2) . . . . ? C27 P1 C29 C28 -59(2) . . . . ? Pt1 P1 C29 C28 175(2) . . . . ? C29 P1 C31 C30 71.9(16) . . . . ? C27 P1 C31 C30 -176.8(14) . . . . ? Pt1 P1 C31 C30 -54.9(16) . . . . ? C37 P2 C33 C32 51.4(16) . . . . ? C35 P2 C33 C32 -62.7(17) . . . . ? Pt1 P2 C33 C32 173.5(13) . . . . ? C33 P2 C35 C34 66(2) . . . . ? C37 P2 C35 C34 -45(2) . . . . ? Pt1 P2 C35 C34 -168.2(16) . . . . ? C33 P2 C37 C36 61.7(16) . . . . ? C35 P2 C37 C36 176.5(14) . . . . ? Pt1 P2 C37 C36 -61.8(15) . . . . ? C43 P4 C39 C38 -174.3(12) . . . . ? C41 P4 C39 C38 -60.9(14) . . . . ? Pt2 P4 C39 C38 60.1(14) . . . . ? C43 P4 C41 C40 62.0(14) . . . . ? C39 P4 C41 C40 -52.9(13) . . . . ? Pt2 P4 C41 C40 -172.9(10) . . . . ? C39 P4 C43 C42 177(2) . . . . ? C41 P4 C43 C42 68(2) . . . . ? Pt2 P4 C43 C42 -58(3) . . . . ? C39 P4 C43 C42A 44(3) . . . . ? C41 P4 C43 C42A -65(3) . . . . ? Pt2 P4 C43 C42A 169(2) . . . . ? C47 P3 C45 C44 55.7(15) . . . . ? C49 P3 C45 C44 -54.6(15) . . . . ? Pt2 P3 C45 C44 179.4(11) . . . . ? C45 P3 C47 C46 67.9(15) . . . . ? C49 P3 C47 C46 176.3(14) . . . . ? Pt2 P3 C47 C46 -55.8(15) . . . . ? C45 P3 C49 C48 144.5(15) . . . . ? C47 P3 C49 C48 34.4(17) . . . . ? Pt2 P3 C49 C48 -91.5(15) . . . . ? O5 N5 O6 N5 22(100) . . . 5_666 ? O7 N5 O6 N5 -168(100) . . . 5_666 ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 27.43 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 3.194 _refine_diff_density_min -2.493 _refine_diff_density_rms 0.190