# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 186/2152 #--------------------Data of compound 5----------------------------------- data_wy0051wm _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H70 P4 Pt2 S' _chemical_formula_weight 1097.08 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' 'P' 'P' 0.1023 0.0942 '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' 'Pt' 'Pt' -1.7033 8.3905 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 21.205(4) _cell_length_b 9.0533(18) _cell_length_c 24.430(5) _cell_angle_alpha 90.00 _cell_angle_beta 95.67(3) _cell_angle_gamma 90.00 _cell_volume 4667.1(16) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description colorless _exptl_crystal_colour rod _exptl_crystal_size_max 0.31 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.17 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.561 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2168 _exptl_absorpt_coefficient_mu 6.195 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _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 'Bruker Smart CCD' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 26410 _diffrn_reflns_av_R_equivalents 0.0331 _diffrn_reflns_av_sigmaI/netI 0.0409 _diffrn_reflns_limit_h_min -27 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 1.34 _diffrn_reflns_theta_max 27.54 _reflns_number_total 10473 _reflns_number_gt 7424 _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^)+(0.1000P)^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 10473 _refine_ls_number_parameters 436 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0531 _refine_ls_R_factor_gt 0.0291 _refine_ls_wR_factor_ref 0.1085 _refine_ls_wR_factor_gt 0.0845 _refine_ls_goodness_of_fit_ref 0.704 _refine_ls_restrained_S_all 0.704 _refine_ls_shift/su_max 0.013 _refine_ls_shift/su_mean 0.001 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 0.677218(10) 0.97371(2) 0.040730(8) 0.04333(8) Uani 1 1 d . . . Pt2 Pt 0.565398(10) 1.01157(2) -0.293589(8) 0.04180(7) Uani 1 1 d . . . P3 P 0.48583(7) 0.84577(16) -0.31777(6) 0.0460(3) Uani 1 1 d . . . P4 P 0.64352(7) 1.18231(16) -0.27260(6) 0.0498(3) Uani 1 1 d . . . P1 P 0.61943(7) 0.81319(16) 0.08831(6) 0.0501(3) Uani 1 1 d . . . S1 S 0.60839(9) 0.70564(17) -0.12917(6) 0.0617(4) Uani 1 1 d . . . P2 P 0.73534(8) 1.13128(18) -0.00717(6) 0.0553(4) Uani 1 1 d . . . C35 C 0.5353(3) 1.1305(7) -0.3640(2) 0.0539(14) Uani 1 1 d . . . C22 C 0.5909(3) 0.8942(6) -0.2247(2) 0.0459(12) Uani 1 1 d . . . C21 C 0.6021(3) 0.8246(6) -0.1831(2) 0.0482(12) Uani 1 1 d . . . C13 C 0.6998(3) 1.0885(6) 0.1134(2) 0.0483(12) Uani 1 1 d . . . C20 C 0.6379(3) 0.8092(6) -0.0740(2) 0.0533(14) Uani 1 1 d . . . C19 C 0.6543(3) 0.8671(7) -0.0313(2) 0.0531(14) Uani 1 1 d . . . C14 C 0.6617(3) 1.2044(6) 0.1290(2) 0.0572(15) Uani 1 1 d . . . H14 H 0.6252 1.2281 0.1064 0.069 Uiso 1 1 calc R . . C33 C 0.7068(3) 1.1190(7) -0.2222(2) 0.0636(16) Uani 1 1 d . . . H33A H 0.6878 1.0931 -0.1889 0.076 Uiso 1 1 calc R . . H33B H 0.7239 1.0288 -0.2362 0.076 Uiso 1 1 calc R . . C15 C 0.6759(3) 1.2847(7) 0.1764(3) 0.0663(17) Uani 1 1 d . . . H15 H 0.6487 1.3591 0.1857 0.080 Uiso 1 1 calc R . . C5 C 0.5785(3) 0.6670(7) 0.0481(3) 0.0716(18) Uani 1 1 d . . . H5A H 0.5485 0.7126 0.0206 0.086 Uiso 1 1 calc R . . H5B H 0.6095 0.6150 0.0286 0.086 Uiso 1 1 calc R . . C18 C 0.7535(3) 1.0592(7) 0.1484(3) 0.0647(16) Uani 1 1 d . . . H18 H 0.7808 0.9843 0.1397 0.078 Uiso 1 1 calc R . . C27 C 0.4992(3) 0.7423(8) -0.3801(2) 0.0751(19) Uani 1 1 d . . . H27A H 0.4654 0.6708 -0.3876 0.090 Uiso 1 1 calc R . . H27B H 0.4977 0.8099 -0.4110 0.090 Uiso 1 1 calc R . . C40 C 0.5543(3) 1.0958(8) -0.4158(2) 0.0669(17) Uani 1 1 d . . . H40 H 0.5830 1.0190 -0.4186 0.080 Uiso 1 1 calc R . . C7 C 0.7835(3) 1.2682(8) 0.0315(3) 0.0736(18) Uani 1 1 d . . . H7A H 0.7562 1.3212 0.0544 0.088 Uiso 1 1 calc R . . H7B H 0.8145 1.2158 0.0561 0.088 Uiso 1 1 calc R . . C36 C 0.4925(3) 1.2455(7) -0.3631(3) 0.0662(16) Uani 1 1 d . . . H36 H 0.4787 1.2727 -0.3296 0.079 Uiso 1 1 calc R . . C29 C 0.6122(4) 1.3519(7) -0.2456(3) 0.077(2) Uani 1 1 d . . . H29A H 0.6475 1.4151 -0.2326 0.092 Uiso 1 1 calc R . . H29B H 0.5878 1.4032 -0.2755 0.092 Uiso 1 1 calc R . . C9 C 0.6861(4) 1.2334(9) -0.0591(3) 0.079(2) Uani 1 1 d . . . H9A H 0.7131 1.2904 -0.0810 0.094 Uiso 1 1 calc R . . H9B H 0.6623 1.1642 -0.0834 0.094 Uiso 1 1 calc R . . C28 C 0.5631(3) 0.6613(9) -0.3748(3) 0.087(2) Uani 1 1 d . . . H28A H 0.5967 0.7313 -0.3665 0.130 Uiso 1 1 calc R . . H28B H 0.5688 0.6123 -0.4088 0.130 Uiso 1 1 calc R . . H28C H 0.5638 0.5896 -0.3458 0.130 Uiso 1 1 calc R . . C37 C 0.4690(4) 1.3225(7) -0.4100(3) 0.089(3) Uani 1 1 d . . . H37 H 0.4396 1.3980 -0.4078 0.106 Uiso 1 1 calc R . . C39 C 0.5322(4) 1.1709(9) -0.4628(3) 0.086(2) Uani 1 1 d . . . H39 H 0.5459 1.1445 -0.4964 0.103 Uiso 1 1 calc R . . C17 C 0.7678(4) 1.1417(9) 0.1977(3) 0.083(2) Uani 1 1 d . . . H17 H 0.8031 1.1175 0.2216 0.099 Uiso 1 1 calc R . . C38 C 0.4900(4) 1.2851(9) -0.4599(3) 0.095(3) Uani 1 1 d . . . H38 H 0.4755 1.3371 -0.4915 0.114 Uiso 1 1 calc R . . C1 C 0.5583(4) 0.9011(9) 0.1241(3) 0.092(3) Uani 1 1 d . . . H1A H 0.5382 0.8267 0.1452 0.111 Uiso 1 1 calc R . . H1B H 0.5781 0.9726 0.1500 0.111 Uiso 1 1 calc R . . C31 C 0.6834(3) 1.2496(8) -0.3302(2) 0.0724(18) Uani 1 1 d . . . H31A H 0.6524 1.2965 -0.3564 0.087 Uiso 1 1 calc R . . H31B H 0.7140 1.3243 -0.3169 0.087 Uiso 1 1 calc R . . C25 C 0.4725(4) 0.7022(8) -0.2677(3) 0.081(2) Uani 1 1 d . . . H25A H 0.5126 0.6522 -0.2579 0.097 Uiso 1 1 calc R . . H25B H 0.4607 0.7501 -0.2347 0.097 Uiso 1 1 calc R . . C11 C 0.7899(4) 1.0334(8) -0.0470(3) 0.082(2) Uani 1 1 d . . . H11A H 0.7656 0.9792 -0.0761 0.098 Uiso 1 1 calc R . . H11B H 0.8157 1.1051 -0.0641 0.098 Uiso 1 1 calc R . . C16 C 0.7299(4) 1.2554(8) 0.2098(3) 0.077(2) Uani 1 1 d . . . H16 H 0.7407 1.3132 0.2408 0.093 Uiso 1 1 calc R . . C26 C 0.4230(4) 0.5854(9) -0.2845(4) 0.100(3) Uani 1 1 d . . . H26A H 0.3821 0.6312 -0.2910 0.150 Uiso 1 1 calc R . . H26B H 0.4222 0.5138 -0.2556 0.150 Uiso 1 1 calc R . . H26C H 0.4333 0.5373 -0.3175 0.150 Uiso 1 1 calc R . . C6 C 0.5428(4) 0.5530(8) 0.0792(3) 0.087(2) Uani 1 1 d . . . H6A H 0.5719 0.5042 0.1059 0.130 Uiso 1 1 calc R . . H6B H 0.5236 0.4814 0.0538 0.130 Uiso 1 1 calc R . . H6C H 0.5106 0.6015 0.0975 0.130 Uiso 1 1 calc R . . C34 C 0.7618(3) 1.2216(9) -0.2060(3) 0.092(2) Uani 1 1 d . . . H34A H 0.7877 1.2300 -0.2360 0.137 Uiso 1 1 calc R . . H34B H 0.7867 1.1826 -0.1743 0.137 Uiso 1 1 calc R . . H34C H 0.7460 1.3173 -0.1975 0.137 Uiso 1 1 calc R . . C32 C 0.7174(4) 1.1300(11) -0.3595(3) 0.101(3) Uani 1 1 d . . . H32A H 0.7555 1.1023 -0.3374 0.152 Uiso 1 1 calc R . . H32B H 0.7278 1.1667 -0.3944 0.152 Uiso 1 1 calc R . . H32C H 0.6902 1.0453 -0.3653 0.152 Uiso 1 1 calc R . . C3 C 0.6685(4) 0.7193(9) 0.1424(3) 0.094(3) Uani 1 1 d . . . H3A H 0.6850 0.7913 0.1696 0.113 Uiso 1 1 calc R . . H3B H 0.6425 0.6500 0.1606 0.113 Uiso 1 1 calc R . . C24 C 0.3844(4) 1.0094(9) -0.2860(5) 0.128(4) Uani 1 1 d . . . H24A H 0.3815 0.9407 -0.2564 0.191 Uiso 1 1 calc R . . H24B H 0.3433 1.0511 -0.2965 0.191 Uiso 1 1 calc R . . H24C H 0.4135 1.0868 -0.2742 0.191 Uiso 1 1 calc R . . C23 C 0.4084(3) 0.9272(9) -0.3363(4) 0.104(3) Uani 1 1 d . . . H23A H 0.4110 0.9964 -0.3663 0.125 Uiso 1 1 calc R . . H23B H 0.3785 0.8504 -0.3488 0.125 Uiso 1 1 calc R . . C12 C 0.8329(4) 0.9273(10) -0.0137(4) 0.107(3) Uani 1 1 d . . . H12A H 0.8539 0.9778 0.0174 0.161 Uiso 1 1 calc R . . H12B H 0.8638 0.8891 -0.0361 0.161 Uiso 1 1 calc R . . H12C H 0.8082 0.8473 -0.0012 0.161 Uiso 1 1 calc R . . C10 C 0.6408(4) 1.3357(10) -0.0344(4) 0.119(4) Uani 1 1 d . . . H10A H 0.6138 1.2796 -0.0129 0.178 Uiso 1 1 calc R . . H10B H 0.6155 1.3863 -0.0633 0.178 Uiso 1 1 calc R . . H10C H 0.6643 1.4065 -0.0113 0.178 Uiso 1 1 calc R . . C8 C 0.8194(5) 1.3839(11) 0.0003(4) 0.120(3) Uani 1 1 d . . . H8A H 0.8392 1.3363 -0.0287 0.180 Uiso 1 1 calc R . . H8B H 0.8512 1.4303 0.0253 0.180 Uiso 1 1 calc R . . H8C H 0.7902 1.4573 -0.0151 0.180 Uiso 1 1 calc R . . C30 C 0.5709(4) 1.3299(9) -0.1995(3) 0.100(3) Uani 1 1 d . . . H30A H 0.5346 1.2715 -0.2124 0.150 Uiso 1 1 calc R . . H30B H 0.5571 1.4242 -0.1872 0.150 Uiso 1 1 calc R . . H30C H 0.5946 1.2799 -0.1695 0.150 Uiso 1 1 calc R . . C4 C 0.7224(4) 0.6382(11) 0.1219(5) 0.140(4) Uani 1 1 d . . . H4A H 0.7074 0.5820 0.0899 0.209 Uiso 1 1 calc R . . H4B H 0.7407 0.5728 0.1500 0.209 Uiso 1 1 calc R . . H4C H 0.7538 0.7076 0.1125 0.209 Uiso 1 1 calc R . . C2 C 0.5073(5) 0.9790(12) 0.0863(6) 0.164(6) Uani 1 1 d . . . H2A H 0.5266 1.0526 0.0651 0.247 Uiso 1 1 calc R . . H2B H 0.4775 1.0255 0.1080 0.247 Uiso 1 1 calc R . . H2C H 0.4856 0.9082 0.0620 0.247 Uiso 1 1 calc R . . 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 0.04637(13) 0.04908(13) 0.03391(11) -0.00192(8) 0.00081(9) 0.00588(8) Pt2 0.04560(13) 0.04455(12) 0.03401(12) 0.00075(7) -0.00223(9) -0.00204(8) P3 0.0451(7) 0.0488(8) 0.0431(7) -0.0025(6) -0.0011(6) -0.0033(6) P4 0.0541(8) 0.0479(8) 0.0457(8) 0.0036(6) -0.0040(6) -0.0073(6) P1 0.0536(8) 0.0529(8) 0.0433(7) -0.0011(6) 0.0016(6) 0.0004(6) S1 0.0932(11) 0.0495(8) 0.0397(7) 0.0043(6) -0.0077(7) -0.0126(8) P2 0.0619(9) 0.0602(9) 0.0450(8) 0.0034(7) 0.0112(7) 0.0016(7) C35 0.062(4) 0.050(3) 0.046(3) 0.000(2) -0.010(3) -0.008(3) C22 0.051(3) 0.044(3) 0.042(3) 0.000(2) 0.001(2) -0.009(2) C21 0.052(3) 0.049(3) 0.043(3) 0.003(2) -0.001(2) -0.005(2) C13 0.056(3) 0.048(3) 0.042(3) 0.001(2) 0.009(2) -0.006(2) C20 0.066(4) 0.054(3) 0.039(3) 0.002(2) -0.001(3) 0.004(3) C19 0.065(4) 0.059(3) 0.034(3) 0.001(2) 0.001(3) 0.006(3) C14 0.076(4) 0.050(3) 0.047(3) 0.001(3) 0.008(3) 0.010(3) C33 0.063(4) 0.074(4) 0.051(3) 0.011(3) -0.011(3) -0.015(3) C15 0.093(5) 0.051(3) 0.057(4) -0.006(3) 0.016(4) -0.005(3) C5 0.078(5) 0.068(4) 0.068(4) -0.007(3) 0.004(3) -0.018(3) C18 0.073(4) 0.059(4) 0.060(4) -0.001(3) -0.007(3) 0.007(3) C27 0.098(5) 0.073(4) 0.055(4) -0.012(3) 0.013(4) -0.019(4) C40 0.078(4) 0.077(4) 0.044(3) 0.008(3) -0.001(3) -0.009(3) C7 0.084(5) 0.068(4) 0.070(4) 0.008(3) 0.011(4) -0.014(4) C36 0.075(4) 0.057(4) 0.061(4) 0.000(3) -0.019(3) 0.004(3) C29 0.092(5) 0.055(4) 0.079(5) -0.004(3) -0.007(4) -0.004(4) C9 0.101(6) 0.082(5) 0.052(4) 0.012(3) 0.003(4) 0.005(4) C28 0.075(5) 0.092(6) 0.094(6) -0.015(4) 0.013(4) 0.014(4) C37 0.113(6) 0.053(4) 0.087(5) 0.013(4) -0.049(5) 0.002(4) C39 0.121(7) 0.084(5) 0.046(4) 0.017(3) -0.020(4) -0.025(5) C17 0.101(6) 0.086(5) 0.054(4) -0.005(4) -0.027(4) -0.011(4) C38 0.135(8) 0.077(5) 0.064(5) 0.026(4) -0.042(5) -0.025(5) C1 0.103(6) 0.088(6) 0.093(6) -0.020(5) 0.044(5) -0.024(5) C31 0.073(4) 0.084(5) 0.059(4) 0.019(4) -0.004(3) -0.021(4) C25 0.087(5) 0.082(5) 0.072(4) -0.003(4) 0.003(4) -0.030(4) C11 0.078(5) 0.096(6) 0.077(5) -0.010(4) 0.030(4) 0.012(4) C16 0.122(6) 0.063(4) 0.047(4) -0.012(3) 0.005(4) -0.020(4) C26 0.110(7) 0.088(6) 0.102(6) -0.011(5) 0.019(5) -0.041(5) C6 0.088(5) 0.078(5) 0.092(6) 0.005(4) -0.002(4) -0.028(4) C34 0.070(5) 0.116(6) 0.083(5) 0.020(5) -0.024(4) -0.028(4) C32 0.086(6) 0.140(8) 0.081(5) 0.014(6) 0.028(5) -0.005(6) C3 0.102(6) 0.088(6) 0.084(5) 0.041(4) -0.032(4) -0.029(5) C24 0.071(6) 0.100(7) 0.218(13) -0.047(7) 0.047(7) 0.010(5) C23 0.055(4) 0.080(5) 0.170(9) -0.002(6) -0.020(5) 0.001(4) C12 0.085(6) 0.113(7) 0.128(8) -0.014(6) 0.028(6) 0.030(5) C10 0.134(8) 0.120(8) 0.100(6) 0.015(6) 0.006(6) 0.075(7) C8 0.135(8) 0.110(7) 0.121(8) 0.006(6) 0.039(6) -0.053(6) C30 0.126(7) 0.094(6) 0.083(5) -0.023(5) 0.029(5) 0.013(5) C4 0.093(7) 0.101(7) 0.220(12) 0.073(8) -0.014(7) 0.026(6) C2 0.068(6) 0.136(10) 0.292(19) 0.012(10) 0.033(9) 0.039(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 Pt1 C19 2.023(5) . ? Pt1 C13 2.071(5) . ? Pt1 P2 2.2823(16) . ? Pt1 P1 2.2904(15) . ? Pt2 C22 2.018(5) . ? Pt2 C35 2.076(6) . ? Pt2 P4 2.2867(15) . ? Pt2 P3 2.2917(14) . ? P3 C23 1.816(7) . ? P3 C25 1.826(7) . ? P3 C27 1.833(6) . ? P4 C31 1.816(6) . ? P4 C33 1.822(6) . ? P4 C29 1.822(7) . ? P1 C3 1.812(7) . ? P1 C1 1.819(7) . ? P1 C5 1.817(6) . ? S1 C21 1.696(5) . ? S1 C20 1.709(6) . ? P2 C11 1.813(7) . ? P2 C7 1.812(7) . ? P2 C9 1.814(7) . ? C35 C36 1.384(9) . ? C35 C40 1.401(8) . ? C22 C21 1.201(7) . ? C13 C18 1.382(8) . ? C13 C14 1.401(7) . ? C20 C19 1.189(7) . ? C14 C15 1.374(8) . ? C33 C34 1.513(8) . ? C15 C16 1.366(10) . ? C5 C6 1.527(9) . ? C18 C17 1.423(9) . ? C27 C28 1.535(10) . ? C40 C39 1.375(8) . ? C7 C8 1.541(9) . ? C36 C37 1.390(8) . ? C29 C30 1.507(10) . ? C9 C10 1.503(10) . ? C37 C38 1.380(11) . ? C39 C38 1.375(11) . ? C17 C16 1.356(10) . ? C1 C2 1.524(14) . ? C31 C32 1.519(10) . ? C25 C26 1.519(9) . ? C11 C12 1.506(11) . ? C3 C4 1.486(12) . ? C24 C23 1.565(13) . ? 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 C19 Pt1 C13 178.3(2) . . ? C19 Pt1 P2 87.00(18) . . ? C13 Pt1 P2 91.98(15) . . ? C19 Pt1 P1 92.53(17) . . ? C13 Pt1 P1 88.49(15) . . ? P2 Pt1 P1 179.31(6) . . ? C22 Pt2 C35 177.6(2) . . ? C22 Pt2 P4 92.32(15) . . ? C35 Pt2 P4 89.53(16) . . ? C22 Pt2 P3 89.99(15) . . ? C35 Pt2 P3 88.16(16) . . ? P4 Pt2 P3 177.69(5) . . ? C23 P3 C25 105.1(4) . . ? C23 P3 C27 102.2(4) . . ? C25 P3 C27 103.8(3) . . ? C23 P3 Pt2 115.0(3) . . ? C25 P3 Pt2 116.9(2) . . ? C27 P3 Pt2 112.3(2) . . ? C31 P4 C33 105.1(3) . . ? C31 P4 C29 102.2(3) . . ? C33 P4 C29 106.9(3) . . ? C31 P4 Pt2 115.8(2) . . ? C33 P4 Pt2 114.1(2) . . ? C29 P4 Pt2 111.6(2) . . ? C3 P1 C1 103.9(4) . . ? C3 P1 C5 105.2(4) . . ? C1 P1 C5 104.7(4) . . ? C3 P1 Pt1 111.8(3) . . ? C1 P1 Pt1 114.2(3) . . ? C5 P1 Pt1 116.0(2) . . ? C21 S1 C20 105.0(3) . . ? C11 P2 C7 104.9(4) . . ? C11 P2 C9 103.1(3) . . ? C7 P2 C9 105.8(4) . . ? C11 P2 Pt1 112.0(3) . . ? C7 P2 Pt1 117.7(2) . . ? C9 P2 Pt1 112.0(3) . . ? C36 C35 C40 115.5(6) . . ? C36 C35 Pt2 121.7(5) . . ? C40 C35 Pt2 122.7(5) . . ? C21 C22 Pt2 175.9(5) . . ? C22 C21 S1 170.1(5) . . ? C18 C13 C14 115.9(5) . . ? C18 C13 Pt1 122.8(4) . . ? C14 C13 Pt1 121.3(4) . . ? C19 C20 S1 170.8(6) . . ? C20 C19 Pt1 176.3(5) . . ? C15 C14 C13 122.8(6) . . ? C34 C33 P4 118.7(5) . . ? C16 C15 C14 120.2(6) . . ? C6 C5 P1 117.2(5) . . ? C13 C18 C17 121.1(6) . . ? C28 C27 P3 112.5(5) . . ? C39 C40 C35 122.5(7) . . ? C8 C7 P2 119.2(5) . . ? C35 C36 C37 123.1(7) . . ? C30 C29 P4 114.7(5) . . ? C10 C9 P2 112.3(5) . . ? C38 C37 C36 119.0(7) . . ? C38 C39 C40 120.0(7) . . ? C16 C17 C18 120.1(7) . . ? C39 C38 C37 119.8(7) . . ? C2 C1 P1 114.0(7) . . ? C32 C31 P4 113.9(5) . . ? C26 C25 P3 117.6(6) . . ? C12 C11 P2 114.0(5) . . ? C17 C16 C15 119.8(6) . . ? C4 C3 P1 113.0(6) . . ? C24 C23 P3 110.7(7) . . ? _diffrn_measured_fraction_theta_max 0.973 _diffrn_reflns_theta_full 27.54 _diffrn_measured_fraction_theta_full 0.973 _refine_diff_density_max 0.910 _refine_diff_density_min -0.910 _refine_diff_density_rms 0.107 #-------------------------End of compound 5-------------------------------- #------------------------Data of compound 7--------------------------------- data_wtwong774-wywong070 #------------------------------------------------------------------------------ _audit_creation_date 'Mon Jun 8 20:09:07 1998' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'MAR research Image plate scanner' _computing_cell_refinement 'MAR research Image plate scanner' _computing_data_reduction 'teXsan' _computing_structure_solution SHELXS86 _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' #------------------------------------------------------------------------------ _cell_length_a 7.906(1) _cell_length_b 14.018(1) _cell_length_c 19.069(1) _cell_angle_alpha 98.66(1) _cell_angle_beta 92.38(1) _cell_angle_gamma 97.83(1) _cell_volume 2065.6(3) _cell_formula_units_Z 2 _cell_measurement_temperature 298.2 _cell_measurement_reflns_used 0 _cell_measurement_theta_min 0.0 _cell_measurement_theta_max 0.0 #------------------------------------------------------------------------------ _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P-1' _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x, -y, -z' #------------------------------------------------------------------------------ _exptl_crystal_description 'block' _exptl_crystal_colour 'orange' _exptl_crystal_size_max 0.220 _exptl_crystal_size_mid 0.180 _exptl_crystal_size_min 0.120 _exptl_crystal_density_diffrn 1.373 _exptl_crystal_density_meas ? _chemical_formula_weight 854.24 _chemical_formula_analytical ? _chemical_formula_sum 'C38 H54 N2 Pt S2 Si2 ' _chemical_formula_moiety 'C38 H54 N2 Pt S2 Si2 ' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 868.00 _exptl_absorpt_coefficient_mu 3.568 _exptl_absorpt_correction_type none #------------------------------------------------------------------------------ _diffrn_special_details none _diffrn_ambient_temperature 298.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type MoKalpha _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector ? _diffrn_measurement_device 'MAR research Image plate scanner' _diffrn_measurement_method 'omega scans with profile analysis' _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% 0.00 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_reflns_number 22607 _reflns_number_total 3228 _reflns_number_observed 2139 _reflns_observed_criterion 1.50 _diffrn_reflns_av_R_equivalents 0.045 _diffrn_reflns_av_sigmaI/netI ? _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1 _diffrn_reflns_theta_max 22.70 _diffrn_reflns_reduction_process ? _diffrn_orient_matrix_UB_11 0.00000 _diffrn_orient_matrix_UB_12 0.00000 _diffrn_orient_matrix_UB_13 0.00000 _diffrn_orient_matrix_UB_21 0.00000 _diffrn_orient_matrix_UB_22 0.00000 _diffrn_orient_matrix_UB_23 0.00000 _diffrn_orient_matrix_UB_31 0.00000 _diffrn_orient_matrix_UB_32 0.00000 _diffrn_orient_matrix_UB_33 0.00000 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Pt 0 2 -1.703 8.390 'International Tables' N 0 4 0.006 0.003 'International Tables' Si 0 4 0.082 0.070 'International Tables' S 0 4 0.125 0.123 'International Tables' C 0 76 0.003 0.002 'International Tables' H 0 108 0.000 0.000 'International Tables' #------------------------------------------------------------------------------ loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_calc_attached_atom Pt(1) 0.1645(1) 0.04989(7) 0.95271(4) 0.0723(3) Uij ? ? S(1) -0.0840(10) 0.0493(6) 0.7171(3) 0.131(3) Uij ? ? S(2) 0.0925(8) 0.3892(4) 0.9940(3) 0.093(2) Uij ? ? Si(1) 0.058(1) -0.2068(6) 0.5527(3) 0.117(3) Uij ? ? Si(2) 0.2903(9) 0.5585(5) 1.2211(3) 0.098(3) Uij ? ? N(1) 0.284(2) 0.046(1) 1.0496(8) 0.067(6) Uij ? ? N(2) 0.208(2) -0.092(1) 0.940(1) 0.064(6) Uij ? ? C(1) 0.163(3) -0.160(2) 0.884(1) 0.079(9) Uij ? ? C(2) 0.198(3) -0.253(2) 0.877(1) 0.10(1) Uij ? ? C(3) 0.294(3) -0.279(2) 0.930(1) 0.080(9) Uij ? ? C(4) 0.343(2) -0.209(2) 0.989(1) 0.082(9) Uij ? ? C(5) 0.300(3) -0.118(2) 0.993(1) 0.078(9) Uij ? ? C(6) 0.352(4) -0.379(2) 0.928(1) 0.13(1) Uij ? ? C(7) 0.335(3) -0.040(2) 1.056(1) 0.067(8) Uij ? ? C(8) 0.427(3) -0.050(2) 1.118(2) 0.083(9) Uij ? ? C(9) 0.454(3) 0.025(2) 1.175(1) 0.086(9) Uij ? ? C(10) 0.395(3) 0.108(2) 1.167(1) 0.090(10) Uij ? ? C(11) 0.317(3) 0.116(2) 1.104(1) 0.093(10) Uij ? ? C(12) 0.553(3) 0.012(2) 1.243(1) 0.12(1) Uij ? ? C(13) 0.062(2) 0.047(1) 0.857(1) 0.064(7) Uij ? ? C(14) 0.006(2) 0.040(1) 0.800(1) 0.074(8) Uij ? ? C(15) -0.039(3) -0.049(2) 0.661(1) 0.105(10) Uij ? ? C(16) 0.000(3) -0.112(2) 0.621(1) 0.11(1) Uij ? ? C(17) 0.229(5) -0.138(4) 0.501(2) 0.25(2) Uij ? ? C(18) 0.385(8) -0.096(4) 0.554(3) 0.31(3) Uij ? ? C(19) 0.280(5) -0.182(4) 0.441(2) 0.24(2) Uij ? ? C(20) -0.121(6) -0.256(3) 0.492(2) 0.19(2) Uij ? ? C(21) -0.177(5) -0.176(5) 0.450(2) 0.28(3) Uij ? ? C(22) -0.265(6) -0.316(4) 0.521(3) 0.27(3) Uij ? ? C(23) 0.117(5) -0.302(3) 0.595(1) 0.21(2) Uij ? ? C(24) 0.190(5) -0.386(3) 0.552(2) 0.22(2) Uij ? ? C(25) 0.190(5) -0.282(2) 0.666(2) 0.19(2) Uij ? ? C(26) 0.135(2) 0.187(2) 0.9734(10) 0.063(7) Uij ? ? C(27) 0.129(3) 0.271(2) 0.9868(9) 0.067(7) Uij ? ? C(28) 0.159(2) 0.441(1) 1.079(1) 0.070(7) Uij ? ? C(29) 0.208(3) 0.484(2) 1.137(1) 0.095(9) Uij ? ? C(30) 0.475(4) 0.642(2) 1.204(2) 0.17(1) Uij ? ? C(31) 0.539(4) 0.646(2) 1.135(2) 0.18(2) Uij ? ? C(32) 0.532(3) 0.730(2) 1.262(1) 0.14(1) Uij ? ? C(33) 0.108(3) 0.625(2) 1.256(1) 0.109(10) Uij ? ? C(34) 0.048(4) 0.685(2) 1.205(2) 0.16(1) Uij ? ? C(35) -0.038(4) 0.551(3) 1.278(2) 0.20(2) Uij ? ? C(36) 0.347(4) 0.474(3) 1.279(1) 0.17(1) Uij ? ? C(37) 0.364(8) 0.381(3) 1.258(2) 0.27(3) Uij ? ? C(38) 0.408(5) 0.521(3) 1.351(2) 0.19(2) Uij ? ? H(1) 0.1014 -0.1417 0.8449 0.0944 Uij ? ? H(2) 0.1564 -0.2993 0.8363 0.1186 Uij ? ? H(3) 0.4083 -0.2245 1.0276 0.0985 Uij ? ? H(4) 0.4716 -0.1091 1.1211 0.0996 Uij ? ? H(5) 0.4086 0.1610 1.2050 0.1078 Uij ? ? H(6) 0.2838 0.1775 1.0993 0.1119 Uij ? ? H(7) 0.3075 -0.4081 0.9666 0.1560 Uij ? ? H(8) 0.3102 -0.4193 0.8845 0.1560 Uij ? ? H(9) 0.4730 -0.3714 0.9318 0.1560 Uij ? ? H(10) 0.5835 -0.0516 1.2384 0.1406 Uij ? ? H(11) 0.6538 0.0588 1.2511 0.1406 Uij ? ? H(12) 0.4836 0.0219 1.2824 0.1406 Uij ? ? H(13) 0.1799 -0.0850 0.4890 0.2916 Uij ? ? H(14) -0.0761 -0.3007 0.4573 0.2316 Uij ? ? H(15) 0.0088 -0.3337 0.6031 0.2436 Uij ? ? H(16) 0.5576 0.6043 1.2187 0.2060 Uij ? ? H(17) 0.1528 0.6681 1.2985 0.1304 Uij ? ? H(18) 0.2341 0.4576 1.2919 0.2080 Uij ? ? H(19) 0.4350 -0.1447 0.5673 0.3713 Uij ? ? H(20) 0.4581 -0.0531 0.5301 0.3713 Uij ? ? H(21) 0.3400 -0.0572 0.5929 0.3713 Uij ? ? H(22) 0.1848 -0.1997 0.4074 0.2935 Uij ? ? H(23) 0.3622 -0.1355 0.4233 0.2935 Uij ? ? H(24) 0.3302 -0.2361 0.4487 0.2935 Uij ? ? H(25) -0.0812 -0.1456 0.4305 0.3358 Uij ? ? H(26) -0.2608 -0.2072 0.4139 0.3358 Uij ? ? H(27) -0.2249 -0.1304 0.4823 0.3358 Uij ? ? H(28) -0.3149 -0.2774 0.5574 0.3281 Uij ? ? H(29) -0.3491 -0.3449 0.4844 0.3281 Uij ? ? H(30) -0.2221 -0.3682 0.5415 0.3281 Uij ? ? H(31) 0.1900 -0.4379 0.5788 0.2593 Uij ? ? H(32) 0.1176 -0.4085 0.5096 0.2593 Uij ? ? H(33) 0.3016 -0.3649 0.5401 0.2593 Uij ? ? H(34) 0.1903 -0.3417 0.6840 0.2242 Uij ? ? H(35) 0.3030 -0.2493 0.6673 0.2242 Uij ? ? H(36) 0.1222 -0.2422 0.6945 0.2242 Uij ? ? H(37) 0.5338 0.5817 1.1095 0.2117 Uij ? ? H(38) 0.4746 0.6827 1.1094 0.2117 Uij ? ? H(39) 0.6566 0.6761 1.1402 0.2117 Uij ? ? H(40) 0.6486 0.7538 1.2578 0.1648 Uij ? ? H(41) 0.4638 0.7794 1.2563 0.1648 Uij ? ? H(42) 0.5174 0.7104 1.3070 0.1648 Uij ? ? H(43) 0.1412 0.7305 1.1955 0.1971 Uij ? ? H(44) 0.0033 0.6440 1.1627 0.1971 Uij ? ? H(45) -0.0386 0.7192 1.2255 0.1971 Uij ? ? H(46) -0.1235 0.5849 1.2993 0.2388 Uij ? ? H(47) -0.0877 0.5076 1.2366 0.2388 Uij ? ? H(48) 0.0065 0.5143 1.3106 0.2388 Uij ? ? H(49) 0.3487 0.3460 1.2959 0.3248 Uij ? ? H(50) 0.2843 0.3550 1.2196 0.3248 Uij ? ? H(51) 0.4780 0.3787 1.2422 0.3248 Uij ? ? H(52) 0.3928 0.4750 1.3825 0.2288 Uij ? ? H(53) 0.5261 0.5462 1.3512 0.2288 Uij ? ? H(54) 0.3448 0.5728 1.3648 0.2288 Uij ? ? loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pt(1) 0.0891(7) 0.0631(7) 0.0626(6) 0.0109(4) 0.0129(4) 0.0010(4) S(1) 0.186(7) 0.140(7) 0.082(5) 0.084(6) 0.009(4) 0.015(4) S(2) 0.144(5) 0.070(4) 0.064(4) 0.030(4) -0.009(3) 0.000(3) Si(1) 0.155(7) 0.117(7) 0.072(5) 0.037(5) -0.015(5) -0.013(4) Si(2) 0.115(5) 0.101(6) 0.070(4) 0.021(4) -0.004(4) -0.009(4) N(1) 0.11(1) 0.03(1) 0.05(1) 0.00(1) -0.010(9) 0.000(10) N(2) 0.09(1) 0.04(1) 0.06(1) 0.014(10) 0.02(1) 0.00(1) C(1) 0.10(2) 0.06(2) 0.08(2) 0.02(1) 0.02(1) 0.02(2) C(2) 0.13(2) 0.09(2) 0.10(2) 0.05(2) 0.04(2) 0.03(2) C(3) 0.12(2) 0.04(2) 0.09(2) 0.02(1) 0.04(2) 0.01(2) C(4) 0.07(1) 0.09(2) 0.09(2) 0.01(1) 0.01(1) 0.01(2) C(5) 0.08(2) 0.08(2) 0.07(2) 0.02(1) 0.02(1) 0.00(2) C(6) 0.18(3) 0.11(2) 0.11(2) 0.04(2) 0.05(2) 0.00(2) C(7) 0.07(1) 0.07(2) 0.07(2) 0.01(1) 0.01(1) 0.03(2) C(8) 0.09(2) 0.07(2) 0.11(2) 0.01(1) 0.02(1) 0.04(2) C(9) 0.11(2) 0.08(2) 0.06(2) 0.02(2) -0.03(1) -0.02(2) C(10) 0.11(2) 0.07(2) 0.08(2) 0.02(2) 0.00(1) -0.01(1) C(11) 0.14(2) 0.08(2) 0.07(2) 0.02(2) -0.01(1) 0.00(2) C(12) 0.15(2) 0.13(2) 0.07(2) 0.02(2) -0.03(1) 0.00(1) C(13) 0.10(2) 0.07(2) 0.03(1) 0.02(1) 0.00(1) 0.01(1) C(14) 0.11(2) 0.08(2) 0.04(1) 0.03(1) -0.01(1) 0.00(1) C(15) 0.12(2) 0.14(2) 0.06(2) 0.05(2) -0.02(1) -0.01(2) C(16) 0.16(2) 0.07(2) 0.08(2) 0.02(2) 0.00(2) 0.01(1) C(17) 0.21(4) 0.38(7) 0.09(3) -0.03(4) 0.05(3) -0.06(3) C(18) 0.38(7) 0.30(6) 0.19(4) -0.10(5) 0.18(5) -0.06(4) C(19) 0.23(4) 0.40(7) 0.08(2) 0.00(4) 0.02(2) -0.02(3) C(20) 0.27(5) 0.18(4) 0.13(3) 0.08(4) -0.04(3) 0.00(3) C(21) 0.23(4) 0.44(8) 0.13(3) 0.09(5) -0.09(3) -0.08(4) C(22) 0.19(4) 0.27(6) 0.33(6) -0.09(4) 0.03(4) 0.07(5) C(23) 0.35(5) 0.24(4) 0.05(2) 0.17(4) -0.04(2) -0.06(2) C(24) 0.26(4) 0.16(4) 0.24(4) 0.07(3) -0.01(3) 0.05(3) C(25) 0.28(4) 0.12(3) 0.18(3) 0.05(3) 0.00(3) 0.05(2) C(26) 0.11(2) 0.02(1) 0.06(1) -0.01(1) 0.01(1) 0.02(1) C(27) 0.11(2) 0.05(2) 0.05(1) -0.01(1) 0.02(1) 0.04(1) C(28) 0.10(2) 0.06(2) 0.05(1) 0.03(1) 0.00(1) 0.00(1) C(29) 0.14(2) 0.08(2) 0.07(2) 0.02(1) 0.00(1) 0.00(1) C(30) 0.14(2) 0.20(4) 0.15(3) -0.03(2) 0.08(2) -0.06(3) C(31) 0.22(3) 0.16(3) 0.13(3) -0.03(3) 0.07(2) -0.02(2) C(32) 0.12(2) 0.14(3) 0.12(2) -0.05(2) 0.02(2) -0.02(2) C(33) 0.11(2) 0.13(2) 0.07(2) 0.05(2) -0.02(1) -0.04(2) C(34) 0.15(3) 0.15(3) 0.19(3) 0.08(2) -0.03(2) -0.02(2) C(35) 0.12(2) 0.27(5) 0.19(3) -0.01(3) 0.06(2) 0.01(3) C(36) 0.29(4) 0.17(3) 0.06(2) 0.10(3) -0.07(2) -0.05(2) C(37) 0.55(9) 0.19(4) 0.10(3) 0.18(5) 0.03(3) 0.03(3) C(38) 0.27(4) 0.19(4) 0.14(3) 0.08(3) -0.02(3) 0.05(3) #------------------------------------------------------------------------------ _refine_special_details ? _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 2139 _refine_ls_number_parameters 406 _refine_ls_number_restraints 0 _refine_ls_number_constraints ? _refine_ls_R_factor_all ? _refine_ls_R_factor_obs 0.0564 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_obs 0.0601 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_obs 0.881 _refine_ls_shift/esd_max 0.0570 _refine_ls_shift/esd_mean ? _refine_diff_density_min -0.85 _refine_diff_density_max 0.67 #------------------------------------------------------------------------------ _geom_special_details ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt(1) N(1) 2.05(2) ? ? yes Pt(1) N(2) 2.05(2) ? ? yes Pt(1) C(13) 1.96(2) ? ? yes Pt(1) C(26) 1.94(2) ? ? yes S(1) C(14) 1.74(2) ? ? yes S(1) C(15) 1.70(3) ? ? yes S(2) C(27) 1.71(3) ? ? yes S(2) C(28) 1.71(2) ? ? yes Si(1) C(16) 1.84(3) ? ? yes Si(1) C(17) 1.94(5) ? ? yes Si(1) C(20) 1.78(4) ? ? yes Si(1) C(23) 1.77(4) ? ? yes Si(2) C(29) 1.82(2) ? ? yes Si(2) C(30) 1.82(3) ? ? yes Si(2) C(33) 1.91(3) ? ? yes Si(2) C(36) 1.83(4) ? ? yes N(1) C(7) 1.34(3) ? ? yes N(1) C(11) 1.31(3) ? ? yes N(2) C(1) 1.33(3) ? ? yes N(2) C(5) 1.33(3) ? ? yes C(1) C(2) 1.37(4) ? ? yes C(2) C(3) 1.35(4) ? ? yes C(3) C(4) 1.38(3) ? ? yes C(3) C(6) 1.53(4) ? ? yes C(4) C(5) 1.36(4) ? ? yes C(5) C(7) 1.50(3) ? ? yes C(7) C(8) 1.40(4) ? ? yes C(8) C(9) 1.38(3) ? ? yes C(9) C(10) 1.34(4) ? ? yes C(9) C(12) 1.53(3) ? ? yes C(10) C(11) 1.35(4) ? ? yes C(13) C(14) 1.14(3) ? ? yes C(15) C(16) 1.16(4) ? ? yes C(17) C(18) 1.54(6) ? ? yes C(17) C(19) 1.33(6) ? ? yes C(20) C(21) 1.57(7) ? ? yes C(20) C(22) 1.50(7) ? ? yes C(23) C(24) 1.53(6) ? ? yes C(23) C(25) 1.42(5) ? ? yes C(26) C(27) 1.18(3) ? ? yes C(28) C(29) 1.20(3) ? ? yes C(30) C(31) 1.44(5) ? ? yes C(30) C(32) 1.53(4) ? ? yes C(33) C(34) 1.49(5) ? ? yes C(33) C(35) 1.56(4) ? ? yes C(36) C(37) 1.33(6) ? ? yes C(36) C(38) 1.46(4) ? ? yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N(1) Pt(1) N(2) 79.1(8) ? ? ? yes N(1) Pt(1) C(13) 175.4(8) ? ? ? yes N(1) Pt(1) C(26) 95.4(8) ? ? ? yes N(2) Pt(1) C(13) 97.1(8) ? ? ? yes N(2) Pt(1) C(26) 174.5(8) ? ? ? yes C(13) Pt(1) C(26) 88.3(8) ? ? ? yes C(14) S(1) C(15) 105(1) ? ? ? yes C(27) S(2) C(28) 105.4(10) ? ? ? yes C(16) Si(1) C(17) 104(1) ? ? ? yes C(16) Si(1) C(20) 110(1) ? ? ? yes C(16) Si(1) C(23) 108(1) ? ? ? yes C(17) Si(1) C(20) 107(1) ? ? ? yes C(17) Si(1) C(23) 118(2) ? ? ? yes C(20) Si(1) C(23) 107(1) ? ? ? yes C(29) Si(2) C(30) 107(1) ? ? ? yes C(29) Si(2) C(33) 106(1) ? ? ? yes C(29) Si(2) C(36) 106(1) ? ? ? yes C(30) Si(2) C(33) 112(1) ? ? ? yes C(30) Si(2) C(36) 112(1) ? ? ? yes C(33) Si(2) C(36) 111(1) ? ? ? yes Pt(1) N(1) C(7) 114(1) ? ? ? yes Pt(1) N(1) C(11) 128(1) ? ? ? yes C(7) N(1) C(11) 117(1) ? ? ? yes Pt(1) N(2) C(1) 126(1) ? ? ? yes Pt(1) N(2) C(5) 116(1) ? ? ? yes C(1) N(2) C(5) 116(2) ? ? ? yes N(2) C(1) C(2) 124(2) ? ? ? yes C(1) C(2) C(3) 118(2) ? ? ? yes C(2) C(3) C(4) 117(2) ? ? ? yes C(2) C(3) C(6) 124(2) ? ? ? yes C(4) C(3) C(6) 118(2) ? ? ? yes C(3) C(4) C(5) 120(2) ? ? ? yes N(2) C(5) C(4) 121(2) ? ? ? yes N(2) C(5) C(7) 113(2) ? ? ? yes C(4) C(5) C(7) 124(2) ? ? ? yes N(1) C(7) C(5) 115(2) ? ? ? yes N(1) C(7) C(8) 120(1) ? ? ? yes C(5) C(7) C(8) 123(2) ? ? ? yes C(7) C(8) C(9) 120(2) ? ? ? yes C(8) C(9) C(10) 116(2) ? ? ? yes C(8) C(9) C(12) 120(2) ? ? ? yes C(10) C(9) C(12) 122(2) ? ? ? yes C(9) C(10) C(11) 119(2) ? ? ? yes N(1) C(11) C(10) 124(2) ? ? ? yes Pt(1) C(13) C(14) 176(1) ? ? ? yes S(1) C(14) C(13) 170(1) ? ? ? yes S(1) C(15) C(16) 175(2) ? ? ? yes Si(1) C(16) C(15) 175(2) ? ? ? yes Si(1) C(17) C(18) 107(3) ? ? ? yes Si(1) C(17) C(19) 119(3) ? ? ? yes C(18) C(17) C(19) 110(3) ? ? ? yes Si(1) C(20) C(21) 110(2) ? ? ? yes Si(1) C(20) C(22) 116(3) ? ? ? yes C(21) C(20) C(22) 114(3) ? ? ? yes Si(1) C(23) C(24) 119(2) ? ? ? yes Si(1) C(23) C(25) 120(2) ? ? ? yes C(24) C(23) C(25) 111(3) ? ? ? yes Pt(1) C(26) C(27) 175(1) ? ? ? yes S(2) C(27) C(26) 169(1) ? ? ? yes S(2) C(28) C(29) 174(2) ? ? ? yes Si(2) C(29) C(28) 175(2) ? ? ? yes Si(2) C(30) C(31) 124(2) ? ? ? yes Si(2) C(30) C(32) 115(2) ? ? ? yes C(31) C(30) C(32) 117(2) ? ? ? yes Si(2) C(33) C(34) 111(1) ? ? ? yes Si(2) C(33) C(35) 110(2) ? ? ? yes C(34) C(33) C(35) 112(2) ? ? ? yes Si(2) C(36) C(37) 125(2) ? ? ? yes Si(2) C(36) C(38) 113(2) ? ? ? yes C(37) C(36) C(38) 120(3) ? ? ? yes #------------------------------------------------------------------------------ _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_contact_author ; ENTER NAME ENTER ADDRESS ; _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_coeditor_name ? _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_email ' ENTER EMAIL ADDRESS ' loop_ _publ_author_name _publ_author_address ' FIRST AUTHORS NAME ' ; FIRST AUTHORS ADDRESS ; _publ_section_title ; ENTER SECTION TITLE ; _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_experimental ; ENTER EXPERIMENTAL SECTION ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation (1985, 1992). teXsan. Crystal Structure Analysis Package, The Woodlands, TX, USA 77381 ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #--------------------End of compound 7-------------------------------------