# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 182/1618 data_bj9971 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C46 H84 O12 Pt Si8' _chemical_formula_weight 1248.94 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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pt' 'Pt' -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.0900(4) _cell_length_b 11.7050(4) _cell_length_c 23.3350(9) _cell_angle_alpha 75.9010(19) _cell_angle_beta 80.6610(19) _cell_angle_gamma 83.003(2) _cell_volume 2888.16(18) _cell_formula_units_Z 2 _cell_measurement_temperature 230(2) _cell_measurement_reflns_used 17791 _cell_measurement_theta_min 2.91 _cell_measurement_theta_max 25.03 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.436 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1292 _exptl_absorpt_coefficient_mu 2.649 _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 230(2) _diffrn_radiation_wavelength 0.71070 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method CCD _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15708 _diffrn_reflns_av_R_equivalents 0.0502 _diffrn_reflns_av_sigmaI/netI 0.0836 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 3.09 _diffrn_reflns_theta_max 25.01 _reflns_number_total 10099 _reflns_number_gt 7839 _reflns_threshold_expression >2sigma(I) _computing_data_collection ; "Collect" data collection software, Nonius B.V., 1998. ; _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_data_reduction ; "Collect" data collection software, Nonius B.V., 1998. ; _computing_structure_solution 'SIR-92' _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^)+(0.0662P)^2^+4.2289P] 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 10099 _refine_ls_number_parameters 588 _refine_ls_number_restraints 122 _refine_ls_R_factor_all 0.0768 _refine_ls_R_factor_gt 0.0530 _refine_ls_wR_factor_ref 0.1355 _refine_ls_wR_factor_gt 0.1228 _refine_ls_goodness_of_fit_ref 1.010 _refine_ls_restrained_S_all 1.052 _refine_ls_shift/su_max 1.655 _refine_ls_shift/su_mean 0.118 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 0.08308(2) 0.06131(2) -0.085922(12) 0.04129(12) Uani 1 1 d . . . Si1 Si 0.03347(18) -0.12588(17) -0.15834(9) 0.0424(5) Uani 1 1 d . . . Si2 Si 0.1560(2) 0.0059(2) -0.28458(10) 0.0514(5) Uani 1 1 d . . . Si3 Si -0.1008(2) 0.1103(2) -0.31901(9) 0.0513(5) Uani 1 1 d . . . Si4 Si -0.22301(18) -0.01195(19) -0.19496(10) 0.0463(5) Uani 1 1 d . . . Si5 Si -0.16936(18) 0.18624(18) -0.14018(9) 0.0441(5) Uani 1 1 d . . . Si6 Si -0.0516(2) 0.31712(19) -0.26728(10) 0.0492(5) Uani 1 1 d . . . Si7 Si 0.2159(2) 0.2663(2) -0.31979(10) 0.0573(6) Uani 1 1 d . . . O1 O 0.0503(5) -0.0940(4) -0.0977(2) 0.0520(13) Uani 1 1 d . A . O2 O 0.1180(5) -0.0452(4) -0.2146(2) 0.0522(13) Uani 1 1 d . A . O3 O 0.0348(5) 0.0414(5) -0.3181(2) 0.0605(14) Uani 1 1 d . A . O4 O -0.1947(5) 0.0397(5) -0.2663(2) 0.0588(14) Uani 1 1 d . A . O5 O -0.1081(4) -0.1001(5) -0.1723(2) 0.0543(13) Uani 1 1 d . A . O6 O -0.2451(4) 0.0963(4) -0.1618(2) 0.0510(13) Uani 1 1 d . A . O7 O -0.0761(5) 0.2495(5) -0.1984(2) 0.0541(13) Uani 1 1 d . A . O8 O -0.0956(5) 0.2422(5) -0.3089(2) 0.0562(14) Uani 1 1 d . A . O9 O 0.0948(5) 0.3258(5) -0.2850(3) 0.0628(15) Uani 1 1 d . A . O10 O 0.2246(5) 0.1246(5) -0.2931(2) 0.0586(14) Uani 1 1 d . A . O11 O -0.0931(4) 0.1184(5) -0.0876(2) 0.0491(12) Uani 1 1 d . A . O12 O 0.3322(5) 0.3151(5) -0.3053(3) 0.0711(17) Uani 1 1 d . A . C1 C 0.0754(13) -0.2895(16) -0.1535(9) 0.036(8) Uiso 0.50 1 d PD A 1 H1 H 0.0504 -0.3089 -0.1886 0.043 Uiso 0.50 1 calc PR A 1 C2 C 0.0091(12) -0.3650(15) -0.0982(8) 0.054(5) Uiso 0.50 1 d PD A 1 H2A H -0.0300 -0.3159 -0.0707 0.065 Uiso 0.50 1 calc PR A 1 H2B H -0.0545 -0.4040 -0.1089 0.065 Uiso 0.50 1 calc PR A 1 C3 C 0.1010(17) -0.4543(17) -0.0698(8) 0.105(8) Uiso 0.50 1 d PD A 1 H3A H 0.0742 -0.5338 -0.0632 0.126 Uiso 0.50 1 calc PR A 1 H3B H 0.1107 -0.4402 -0.0312 0.126 Uiso 0.50 1 calc PR A 1 C4 C 0.2200(16) -0.4444(18) -0.1105(11) 0.099(9) Uiso 0.50 1 d PD A 1 H4A H 0.2346 -0.5082 -0.1319 0.119 Uiso 0.50 1 calc PR A 1 H4B H 0.2880 -0.4495 -0.0876 0.119 Uiso 0.50 1 calc PR A 1 C5 C 0.2100(12) -0.3269(15) -0.1533(8) 0.067(6) Uiso 0.50 1 d PD A 1 H5A H 0.2490 -0.3332 -0.1934 0.080 Uiso 0.50 1 calc PR A 1 H5B H 0.2503 -0.2689 -0.1407 0.080 Uiso 0.50 1 calc PR A 1 C1' C 0.0795(18) -0.2808(19) -0.1493(15) 0.074(18) Uiso 0.50 1 d PD A 2 H1' H 0.0861 -0.2948 -0.1899 0.088 Uiso 0.50 1 calc PR A 2 C2' C -0.0123(12) -0.3629(16) -0.1122(10) 0.070(7) Uiso 0.50 1 d PD A 2 H2'1 H -0.0544 -0.3317 -0.0782 0.084 Uiso 0.50 1 calc PR A 2 H2'2 H -0.0737 -0.3726 -0.1361 0.084 Uiso 0.50 1 calc PR A 2 C3' C 0.0587(15) -0.4785(13) -0.0911(9) 0.080(6) Uiso 0.50 1 d PD A 2 H3'1 H 0.0277 -0.5135 -0.0495 0.096 Uiso 0.50 1 calc PR A 2 H3'2 H 0.0507 -0.5337 -0.1155 0.096 Uiso 0.50 1 calc PR A 2 C4' C 0.1891(15) -0.4548(16) -0.0964(16) 0.108(10) Uiso 0.50 1 d PD A 2 H4'1 H 0.2419 -0.5083 -0.1182 0.130 Uiso 0.50 1 calc PR A 2 H4'2 H 0.2138 -0.4678 -0.0567 0.130 Uiso 0.50 1 calc PR A 2 C5' C 0.2016(13) -0.3293(14) -0.1293(9) 0.060(5) Uiso 0.50 1 d PD A 2 H5'1 H 0.2656 -0.3254 -0.1639 0.072 Uiso 0.50 1 calc PR A 2 H5'2 H 0.2236 -0.2834 -0.1032 0.072 Uiso 0.50 1 calc PR A 2 C6 C 0.2670(17) -0.086(3) -0.3208(9) 0.090(11) Uiso 0.50 1 d PD A 1 H6 H 0.2414 -0.1662 -0.3034 0.108 Uiso 0.50 1 calc PR A 1 C7 C 0.2782(16) -0.075(2) -0.3864(9) 0.099(6) Uiso 0.50 1 d PD A 1 H7A H 0.2528 0.0064 -0.4065 0.119 Uiso 0.50 1 calc PR A 1 H7B H 0.2260 -0.1283 -0.3950 0.119 Uiso 0.50 1 calc PR A 1 C8 C 0.4099(19) -0.106(3) -0.4074(8) 0.107(8) Uiso 0.50 1 d PD A 1 H8A H 0.4202 -0.1852 -0.4156 0.129 Uiso 0.50 1 calc PR A 1 H8B H 0.4381 -0.0493 -0.4441 0.129 Uiso 0.50 1 calc PR A 1 C9 C 0.4814(15) -0.103(4) -0.3595(12) 0.170(15) Uiso 0.50 1 d PD A 1 H9A H 0.5359 -0.1759 -0.3510 0.204 Uiso 0.50 1 calc PR A 1 H9B H 0.5317 -0.0359 -0.3720 0.204 Uiso 0.50 1 calc PR A 1 C10 C 0.394(2) -0.092(3) -0.3058(8) 0.097(9) Uiso 0.50 1 d PD A 1 H10A H 0.4060 -0.0209 -0.2933 0.117 Uiso 0.50 1 calc PR A 1 H10B H 0.4077 -0.1609 -0.2731 0.117 Uiso 0.50 1 calc PR A 1 C6' C 0.2561(13) -0.117(2) -0.3126(8) 0.053(6) Uiso 0.50 1 d PD A 2 H6' H 0.2193 -0.1901 -0.2889 0.063 Uiso 0.50 1 calc PR A 2 C7' C 0.2585(15) -0.125(2) -0.3755(8) 0.099(6) Uiso 0.50 1 d PD A 2 H7'1 H 0.2423 -0.0458 -0.4007 0.119 Uiso 0.50 1 calc PR A 2 H7'2 H 0.1957 -0.1746 -0.3782 0.119 Uiso 0.50 1 calc PR A 2 C8' C 0.3833(18) -0.177(3) -0.3956(8) 0.122(9) Uiso 0.50 1 d PD A 2 H8'1 H 0.3796 -0.2594 -0.3976 0.146 Uiso 0.50 1 calc PR A 2 H8'2 H 0.4151 -0.1325 -0.4353 0.146 Uiso 0.50 1 calc PR A 2 C9' C 0.4643(13) -0.172(2) -0.3517(8) 0.089(7) Uiso 0.50 1 d PD A 2 H9'1 H 0.5249 -0.1149 -0.3698 0.107 Uiso 0.50 1 calc PR A 2 H9'2 H 0.5079 -0.2498 -0.3385 0.107 Uiso 0.50 1 calc PR A 2 C10' C 0.3853(15) -0.136(2) -0.2999(7) 0.079(7) Uiso 0.50 1 d PD A 2 H10C H 0.4109 -0.0623 -0.2943 0.095 Uiso 0.50 1 calc PR A 2 H10D H 0.3927 -0.1972 -0.2634 0.095 Uiso 0.50 1 calc PR A 2 C11 C -0.164(2) 0.137(2) -0.3891(9) 0.032(6) Uiso 0.33 1 d PD A 1 H11 H -0.2084 0.2121 -0.3822 0.038 Uiso 0.33 1 calc PR A 1 C12 C -0.104(3) 0.198(4) -0.4476(12) 0.108(3) Uiso 0.33 1 d PD A 1 H12A H -0.0181 0.1663 -0.4541 0.129 Uiso 0.33 1 calc PR A 1 H12B H -0.1055 0.2829 -0.4494 0.129 Uiso 0.33 1 calc PR A 1 C13 C -0.172(3) 0.179(4) -0.4944(8) 0.108(3) Uiso 0.33 1 d PD A 1 H13A H -0.2031 0.2555 -0.5176 0.129 Uiso 0.33 1 calc PR A 1 H13B H -0.1171 0.1379 -0.5216 0.129 Uiso 0.33 1 calc PR A 1 C14 C -0.275(3) 0.107(4) -0.4637(11) 0.108(3) Uiso 0.33 1 d PD A 1 H14A H -0.2623 0.0291 -0.4731 0.129 Uiso 0.33 1 calc PR A 1 H14B H -0.3528 0.1463 -0.4770 0.129 Uiso 0.33 1 calc PR A 1 C15 C -0.280(2) 0.095(3) -0.3981(10) 0.108(3) Uiso 0.33 1 d PD A 1 H15A H -0.3515 0.1437 -0.3832 0.129 Uiso 0.33 1 calc PR A 1 H15B H -0.2874 0.0128 -0.3767 0.129 Uiso 0.33 1 calc PR A 1 C11' C -0.140(3) 0.110(3) -0.3911(9) 0.031(8) Uiso 0.33 1 d PD A 2 H11' H -0.2195 0.1579 -0.3893 0.037 Uiso 0.33 1 calc PR A 2 C12' C -0.078(4) 0.177(3) -0.4486(13) 0.108(3) Uiso 0.33 1 d PD A 2 H12C H 0.0111 0.1674 -0.4492 0.129 Uiso 0.33 1 calc PR A 2 H12D H -0.1052 0.2616 -0.4543 0.129 Uiso 0.33 1 calc PR A 2 C13' C -0.113(4) 0.128(3) -0.4967(9) 0.108(3) Uiso 0.33 1 d PD A 2 H13C H -0.1709 0.1852 -0.5191 0.129 Uiso 0.33 1 calc PR A 2 H13D H -0.0402 0.1127 -0.5246 0.129 Uiso 0.33 1 calc PR A 2 C14' C -0.171(4) 0.017(3) -0.4677(12) 0.108(3) Uiso 0.33 1 d PD A 2 H14C H -0.1211 -0.0504 -0.4801 0.129 Uiso 0.33 1 calc PR A 2 H14D H -0.2527 0.0207 -0.4793 0.129 Uiso 0.33 1 calc PR A 2 C15' C -0.181(5) 0.001(3) -0.4017(12) 0.108(3) Uiso 0.33 1 d PD A 2 H15C H -0.2655 -0.0091 -0.3831 0.129 Uiso 0.33 1 calc PR A 2 H15D H -0.1284 -0.0684 -0.3848 0.129 Uiso 0.33 1 calc PR A 2 C11" C -0.173(4) 0.104(4) -0.3783(17) 0.14(2) Uiso 0.33 1 d PD A 3 H11" H -0.1030 0.1387 -0.4068 0.174 Uiso 0.33 1 calc PR A 3 C12" C -0.260(3) 0.199(3) -0.4072(15) 0.108(3) Uiso 0.33 1 d PD A 3 H12E H -0.2249 0.2757 -0.4165 0.129 Uiso 0.33 1 calc PR A 3 H12F H -0.3370 0.2040 -0.3803 0.129 Uiso 0.33 1 calc PR A 3 C13" C -0.282(3) 0.170(3) -0.4628(14) 0.108(3) Uiso 0.33 1 d PD A 3 H13E H -0.2420 0.2236 -0.4977 0.129 Uiso 0.33 1 calc PR A 3 H13F H -0.3702 0.1772 -0.4651 0.129 Uiso 0.33 1 calc PR A 3 C14" C -0.230(4) 0.045(3) -0.4613(15) 0.108(3) Uiso 0.33 1 d PD A 3 H14E H -0.2956 -0.0062 -0.4581 0.129 Uiso 0.33 1 calc PR A 3 H14F H -0.1733 0.0409 -0.4979 0.129 Uiso 0.33 1 calc PR A 3 C15" C -0.163(4) 0.004(3) -0.4083(17) 0.108(3) Uiso 0.33 1 d PD A 3 H15E H -0.1998 -0.0638 -0.3808 0.129 Uiso 0.33 1 calc PR A 3 H15F H -0.0769 -0.0189 -0.4208 0.129 Uiso 0.33 1 calc PR A 3 C16 C -0.3601(7) -0.0949(7) -0.1807(4) 0.055(2) Uani 1 1 d . A . H16 H -0.4289 -0.0403 -0.1963 0.066 Uiso 1 1 calc R . . C17 C -0.4027(9) -0.1569(9) -0.1172(4) 0.073(3) Uani 1 1 d . . . H17A H -0.3323 -0.1904 -0.0962 0.088 Uiso 1 1 calc R A . H17B H -0.4531 -0.1017 -0.0958 0.088 Uiso 1 1 calc R . . C18 C -0.4763(12) -0.2528(11) -0.1214(7) 0.113(4) Uani 1 1 d . A . H18A H -0.5621 -0.2229 -0.1241 0.135 Uiso 1 1 calc R . . H18B H -0.4731 -0.3189 -0.0864 0.135 Uiso 1 1 calc R . . C19 C -0.4179(13) -0.2911(11) -0.1771(6) 0.114(4) Uani 1 1 d . . . H19A H -0.3692 -0.3670 -0.1668 0.137 Uiso 1 1 calc R A . H19B H -0.4813 -0.3008 -0.1999 0.137 Uiso 1 1 calc R . . C20 C -0.3391(9) -0.2005(9) -0.2127(5) 0.078(3) Uani 1 1 d . A . H20A H -0.3607 -0.1740 -0.2532 0.093 Uiso 1 1 calc R . . H20B H -0.2529 -0.2320 -0.2151 0.093 Uiso 1 1 calc R . . C21 C -0.2845(7) 0.3024(7) -0.1178(4) 0.057(2) Uani 1 1 d . A . H21 H -0.3050 0.3576 -0.1551 0.069 Uiso 1 1 calc R . . C22 C -0.2406(8) 0.3769(10) -0.0805(6) 0.086(3) Uani 1 1 d . . . H22A H -0.1808 0.3298 -0.0557 0.103 Uiso 1 1 calc R A . H22B H -0.2022 0.4458 -0.1065 0.103 Uiso 1 1 calc R . . C23 C -0.3527(11) 0.4152(13) -0.0425(6) 0.108(4) Uani 1 1 d . A . H23A H -0.3438 0.3854 -0.0002 0.130 Uiso 1 1 calc R . . H23B H -0.3647 0.5017 -0.0508 0.130 Uiso 1 1 calc R . . C24 C -0.4588(10) 0.3669(12) -0.0563(6) 0.099(4) Uani 1 1 d . . . H24A H -0.5020 0.4260 -0.0852 0.119 Uiso 1 1 calc R A . H24B H -0.5165 0.3412 -0.0201 0.119 Uiso 1 1 calc R . . C25 C -0.4029(8) 0.2625(9) -0.0825(5) 0.073(3) Uani 1 1 d . A . H25A H -0.3886 0.1919 -0.0508 0.088 Uiso 1 1 calc R . . H25B H -0.4564 0.2447 -0.1082 0.088 Uiso 1 1 calc R . . C26 C -0.136(2) 0.4703(13) -0.2801(8) 0.040(8) Uiso 0.50 1 d PD A 1 H26 H -0.2227 0.4626 -0.2628 0.048 Uiso 0.50 1 calc PR A 1 C27 C -0.131(2) 0.5277(15) -0.3457(7) 0.059(7) Uiso 0.50 1 d PD A 1 H27A H -0.0708 0.4827 -0.3693 0.071 Uiso 0.50 1 calc PR A 1 H27B H -0.2112 0.5308 -0.3584 0.071 Uiso 0.50 1 calc PR A 1 C28 C -0.094(2) 0.6495(16) -0.3539(8) 0.108(9) Uiso 0.50 1 d PD A 1 H28A H -0.0361 0.6702 -0.3907 0.130 Uiso 0.50 1 calc PR A 1 H28B H -0.1655 0.7071 -0.3564 0.130 Uiso 0.50 1 calc PR A 1 C29 C -0.034(3) 0.649(2) -0.3012(9) 0.118(11) Uiso 0.50 1 d PD A 1 H29A H -0.0526 0.7259 -0.2900 0.141 Uiso 0.50 1 calc PR A 1 H29B H 0.0552 0.6347 -0.3100 0.141 Uiso 0.50 1 calc PR A 1 C30 C -0.085(2) 0.5524(19) -0.2516(7) 0.073(9) Uiso 0.50 1 d PD A 1 H30A H -0.0206 0.5102 -0.2283 0.088 Uiso 0.50 1 calc PR A 1 H30B H -0.1502 0.5852 -0.2248 0.088 Uiso 0.50 1 calc PR A 1 C26' C -0.118(3) 0.4677(16) -0.2813(13) 0.094(17) Uiso 0.50 1 d PD A 2 H26' H -0.1959 0.4620 -0.2538 0.113 Uiso 0.50 1 calc PR A 2 C27' C -0.160(3) 0.5280(18) -0.3401(12) 0.110(14) Uiso 0.50 1 d PD A 2 H27C H -0.1045 0.5025 -0.3728 0.132 Uiso 0.50 1 calc PR A 2 H27D H -0.2427 0.5089 -0.3411 0.132 Uiso 0.50 1 calc PR A 2 C28' C -0.1572(18) 0.6579(14) -0.3459(8) 0.069(5) Uiso 0.50 1 d PD A 2 H28C H -0.1302 0.6972 -0.3874 0.083 Uiso 0.50 1 calc PR A 2 H28D H -0.2392 0.6931 -0.3335 0.083 Uiso 0.50 1 calc PR A 2 C29' C -0.070(2) 0.6711(16) -0.3066(10) 0.092(9) Uiso 0.50 1 d PD A 2 H29C H -0.1006 0.7354 -0.2865 0.111 Uiso 0.50 1 calc PR A 2 H29D H 0.0102 0.6895 -0.3301 0.111 Uiso 0.50 1 calc PR A 2 C30' C -0.057(3) 0.5564(19) -0.2617(9) 0.076(9) Uiso 0.50 1 d PD A 2 H30C H -0.0962 0.5655 -0.2221 0.092 Uiso 0.50 1 calc PR A 2 H30D H 0.0300 0.5302 -0.2595 0.092 Uiso 0.50 1 calc PR A 2 C31 C 0.212(2) 0.288(2) -0.4012(7) 0.068(8) Uiso 0.50 1 d PD A 1 H31 H 0.1575 0.2291 -0.4039 0.081 Uiso 0.50 1 calc PR A 1 C32 C 0.3318(17) 0.2572(18) -0.4369(9) 0.097(5) Uiso 0.50 1 d PD A 1 H32A H 0.4002 0.2788 -0.4211 0.117 Uiso 0.50 1 calc PR A 1 H32B H 0.3428 0.1720 -0.4350 0.117 Uiso 0.50 1 calc PR A 1 C33 C 0.327(2) 0.324(3) -0.4994(8) 0.147(8) Uiso 0.50 1 d PD A 1 H33A H 0.3269 0.2701 -0.5253 0.176 Uiso 0.50 1 calc PR A 1 H33B H 0.3997 0.3694 -0.5138 0.176 Uiso 0.50 1 calc PR A 1 C34 C 0.213(2) 0.407(2) -0.5005(8) 0.125(7) Uiso 0.50 1 d PD A 1 H34A H 0.2319 0.4874 -0.5211 0.150 Uiso 0.50 1 calc PR A 1 H34B H 0.1545 0.3816 -0.5213 0.150 Uiso 0.50 1 calc PR A 1 C35 C 0.1600(19) 0.4025(18) -0.4369(9) 0.107(8) Uiso 0.50 1 d PD A 1 H35A H 0.0703 0.4054 -0.4320 0.129 Uiso 0.50 1 calc PR A 1 H35B H 0.1831 0.4694 -0.4239 0.129 Uiso 0.50 1 calc PR A 1 C31' C 0.207(3) 0.3127(16) -0.3988(7) 0.094(14) Uiso 0.50 1 d PD A 2 H31' H 0.1216 0.2957 -0.3993 0.112 Uiso 0.50 1 calc PR A 2 C32' C 0.275(2) 0.2449(13) -0.4424(10) 0.097(5) Uiso 0.50 1 d PD A 2 H32C H 0.3588 0.2203 -0.4335 0.117 Uiso 0.50 1 calc PR A 2 H32D H 0.2339 0.1740 -0.4402 0.117 Uiso 0.50 1 calc PR A 2 C33' C 0.276(3) 0.324(2) -0.5028(8) 0.147(8) Uiso 0.50 1 d PD A 2 H33C H 0.2172 0.3024 -0.5243 0.176 Uiso 0.50 1 calc PR A 2 H33D H 0.3582 0.3184 -0.5258 0.176 Uiso 0.50 1 calc PR A 2 C34' C 0.243(3) 0.4478(16) -0.4945(7) 0.125(7) Uiso 0.50 1 d PD A 2 H34C H 0.3144 0.4942 -0.5079 0.150 Uiso 0.50 1 calc PR A 2 H34D H 0.1774 0.4863 -0.5178 0.150 Uiso 0.50 1 calc PR A 2 C35' C 0.2016(18) 0.4402(13) -0.4300(7) 0.064(5) Uiso 0.50 1 d PD A 2 H35C H 0.1177 0.4769 -0.4240 0.077 Uiso 0.50 1 calc PR A 2 H35D H 0.2551 0.4818 -0.4139 0.077 Uiso 0.50 1 calc PR A 2 Si8 Si 0.4573(10) 0.3777(11) -0.3060(6) 0.080(3) Uani 0.55 1 d PD A 1 C36 C 0.5638(19) 0.2580(16) -0.2732(9) 0.119(4) Uiso 0.55 1 d PD A 1 H36A H 0.5814 0.2005 -0.2977 0.178 Uiso 0.55 1 calc PR A 1 H36B H 0.5274 0.2202 -0.2334 0.178 Uiso 0.55 1 calc PR A 1 H36C H 0.6392 0.2896 -0.2708 0.178 Uiso 0.55 1 calc PR A 1 C37 C 0.428(2) 0.4870(16) -0.2609(9) 0.119(4) Uiso 0.55 1 d PD A 1 H37A H 0.3717 0.5512 -0.2784 0.178 Uiso 0.55 1 calc PR A 1 H37B H 0.5044 0.5176 -0.2593 0.178 Uiso 0.55 1 calc PR A 1 H37C H 0.3920 0.4504 -0.2208 0.178 Uiso 0.55 1 calc PR A 1 C38 C 0.518(2) 0.4429(19) -0.3822(7) 0.119(4) Uiso 0.55 1 d PD A 1 H38A H 0.5373 0.3819 -0.4047 0.178 Uiso 0.55 1 calc PR A 1 H38B H 0.5921 0.4798 -0.3826 0.178 Uiso 0.55 1 calc PR A 1 H38C H 0.4577 0.5021 -0.4001 0.178 Uiso 0.55 1 calc PR A 1 Si8' Si 0.4194(11) 0.4151(12) -0.3076(7) 0.074(3) Uani 0.45 1 d PD A 2 C36' C 0.532(2) 0.353(2) -0.2579(10) 0.119(4) Uiso 0.45 1 d PD A 2 H36D H 0.4911 0.3170 -0.2188 0.178 Uiso 0.45 1 calc PR A 2 H36E H 0.5796 0.4146 -0.2546 0.178 Uiso 0.45 1 calc PR A 2 H36F H 0.5868 0.2929 -0.2737 0.178 Uiso 0.45 1 calc PR A 2 C37' C 0.317(2) 0.528(2) -0.2785(11) 0.119(4) Uiso 0.45 1 d PD A 2 H37D H 0.2575 0.5623 -0.3057 0.178 Uiso 0.45 1 calc PR A 2 H37E H 0.3639 0.5895 -0.2745 0.178 Uiso 0.45 1 calc PR A 2 H37F H 0.2738 0.4926 -0.2397 0.178 Uiso 0.45 1 calc PR A 2 C38' C 0.491(3) 0.485(3) -0.3809(9) 0.119(4) Uiso 0.45 1 d PD A 2 H38D H 0.4286 0.5201 -0.4060 0.178 Uiso 0.45 1 calc PR A 2 H38E H 0.5444 0.4269 -0.3984 0.178 Uiso 0.45 1 calc PR A 2 H38F H 0.5395 0.5467 -0.3776 0.178 Uiso 0.45 1 calc PR A 2 C39 C 0.2913(8) 0.0644(8) -0.0153(4) 0.059(2) Uani 1 1 d . . . H39A H 0.3144 0.0122 0.0217 0.071 Uiso 1 1 calc R . . H39B H 0.3644 0.1029 -0.0371 0.071 Uiso 1 1 calc R . . C40 C 0.2522(7) -0.0099(7) -0.0526(4) 0.053(2) Uani 1 1 d . . . H40 H 0.2129 -0.0784 -0.0332 0.064 Uiso 1 1 calc R . . C41 C 0.2723(7) 0.0196(7) -0.1145(4) 0.0510(19) Uani 1 1 d . . . H41 H 0.2494 -0.0336 -0.1343 0.061 Uiso 1 1 calc R . . C42 C 0.3268(7) 0.1276(8) -0.1522(4) 0.062(2) Uani 1 1 d . . . H42A H 0.3171 0.1330 -0.1939 0.074 Uiso 1 1 calc R . . H42B H 0.4150 0.1194 -0.1498 0.074 Uiso 1 1 calc R . . C43 C 0.2708(8) 0.2421(8) -0.1351(4) 0.063(2) Uani 1 1 d . . . H43A H 0.3205 0.2616 -0.1083 0.075 Uiso 1 1 calc R . . H43B H 0.2734 0.3062 -0.1712 0.075 Uiso 1 1 calc R . . C44 C 0.1392(7) 0.2349(6) -0.1047(3) 0.0504(19) Uani 1 1 d . . . H44 H 0.0762 0.2563 -0.1289 0.060 Uiso 1 1 calc R . . C45 C 0.1062(7) 0.1992(7) -0.0441(3) 0.0500(19) Uani 1 1 d . . . H45 H 0.0220 0.2011 -0.0294 0.060 Uiso 1 1 calc R . . C46 C 0.1950(8) 0.1574(8) 0.0003(4) 0.059(2) Uani 1 1 d . . . H46A H 0.2352 0.2252 0.0035 0.071 Uiso 1 1 calc R . . H46B H 0.1493 0.1257 0.0395 0.071 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 0.03813(17) 0.04691(18) 0.04072(18) -0.00908(12) -0.00843(12) -0.00893(12) Si1 0.0386(10) 0.0416(11) 0.0480(12) -0.0100(9) -0.0081(9) -0.0057(9) Si2 0.0475(12) 0.0617(13) 0.0463(12) -0.0164(10) -0.0023(10) -0.0065(10) Si3 0.0538(13) 0.0629(14) 0.0413(12) -0.0110(10) -0.0152(10) -0.0110(11) Si4 0.0393(11) 0.0526(12) 0.0524(12) -0.0151(10) -0.0135(9) -0.0090(9) Si5 0.0370(10) 0.0477(11) 0.0515(12) -0.0154(9) -0.0116(9) -0.0028(9) Si6 0.0469(12) 0.0515(12) 0.0508(12) -0.0088(10) -0.0126(10) -0.0084(10) Si7 0.0508(13) 0.0687(15) 0.0480(13) 0.0002(11) -0.0057(10) -0.0173(12) O1 0.057(3) 0.051(3) 0.052(3) -0.012(2) -0.014(3) -0.014(3) O2 0.054(3) 0.051(3) 0.050(3) -0.003(2) -0.009(2) -0.014(3) O3 0.059(3) 0.075(4) 0.052(3) -0.017(3) -0.012(3) -0.012(3) O4 0.055(3) 0.069(4) 0.057(3) -0.014(3) -0.013(3) -0.017(3) O5 0.041(3) 0.056(3) 0.070(4) -0.016(3) -0.016(3) -0.006(2) O6 0.042(3) 0.053(3) 0.066(3) -0.022(3) -0.017(3) -0.003(2) O7 0.050(3) 0.063(3) 0.050(3) -0.009(3) -0.011(2) -0.011(3) O8 0.064(3) 0.056(3) 0.051(3) -0.011(2) -0.011(3) -0.014(3) O9 0.054(3) 0.067(4) 0.069(4) -0.011(3) -0.009(3) -0.017(3) O10 0.049(3) 0.063(3) 0.062(3) -0.006(3) -0.005(3) -0.016(3) O11 0.038(3) 0.066(3) 0.047(3) -0.018(3) -0.006(2) -0.007(2) O12 0.051(3) 0.078(4) 0.083(4) -0.006(3) -0.013(3) -0.019(3) C16 0.044(4) 0.066(5) 0.065(5) -0.021(4) -0.018(4) -0.014(4) C17 0.061(5) 0.105(7) 0.059(5) -0.021(5) -0.009(4) -0.026(5) C18 0.097(9) 0.099(9) 0.135(11) -0.006(8) 0.004(8) -0.047(7) C19 0.143(12) 0.089(8) 0.118(11) -0.023(8) -0.013(9) -0.051(8) C20 0.068(6) 0.085(7) 0.093(7) -0.033(6) -0.011(5) -0.032(5) C21 0.048(4) 0.062(5) 0.064(5) -0.024(4) -0.006(4) 0.001(4) C22 0.049(5) 0.096(8) 0.132(10) -0.069(7) -0.008(6) -0.002(5) C23 0.102(9) 0.140(11) 0.099(9) -0.070(8) -0.004(7) 0.000(8) C24 0.067(7) 0.133(10) 0.107(9) -0.063(8) -0.002(6) 0.012(7) C25 0.045(5) 0.081(6) 0.089(7) -0.015(5) -0.007(5) -0.002(5) Si8 0.052(6) 0.102(8) 0.079(4) 0.000(5) -0.005(4) -0.031(5) Si8' 0.062(8) 0.083(8) 0.080(6) -0.016(5) -0.005(5) -0.034(6) C39 0.058(5) 0.071(5) 0.051(5) -0.007(4) -0.021(4) -0.010(4) C40 0.038(4) 0.052(5) 0.067(5) -0.001(4) -0.024(4) -0.002(4) C41 0.040(4) 0.053(5) 0.064(5) -0.021(4) -0.007(4) -0.005(4) C42 0.051(5) 0.086(6) 0.052(5) -0.022(4) -0.002(4) -0.014(5) C43 0.060(5) 0.068(6) 0.057(5) -0.005(4) -0.004(4) -0.021(4) C44 0.060(5) 0.045(4) 0.051(5) -0.011(3) -0.016(4) -0.015(4) C45 0.043(4) 0.057(5) 0.054(5) -0.017(4) -0.006(4) -0.012(4) C46 0.060(5) 0.074(6) 0.055(5) -0.025(4) -0.016(4) -0.017(5) _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 O1 1.987(5) . ? Pt1 O11 1.990(5) . ? Pt1 C44 2.120(7) . ? Pt1 C41 2.131(7) . ? Pt1 C40 2.143(7) . ? Pt1 C45 2.139(7) . ? Si1 O1 1.593(5) . ? Si1 O5 1.632(5) . ? Si1 O2 1.645(5) . ? Si1 C1' 1.79(2) . ? Si1 C1 1.90(2) . ? Si2 O2 1.601(5) . ? Si2 O10 1.619(5) . ? Si2 O3 1.624(6) . ? Si2 C6 1.78(2) . ? Si2 C6' 1.891(17) . ? Si3 O4 1.606(6) . ? Si3 O3 1.619(6) . ? Si3 O8 1.627(6) . ? Si3 C11" 1.72(2) . ? Si3 C11' 1.81(2) . ? Si3 C11 1.828(17) . ? Si4 O6 1.614(5) . ? Si4 O5 1.613(6) . ? Si4 O4 1.618(6) . ? Si4 C16 1.845(7) . ? Si5 O11 1.596(5) . ? Si5 O6 1.636(5) . ? Si5 O7 1.644(5) . ? Si5 C21 1.860(8) . ? Si6 O7 1.605(5) . ? Si6 O9 1.618(6) . ? Si6 O8 1.620(6) . ? Si6 C26' 1.80(2) . ? Si6 C26 1.90(2) . ? Si7 O12 1.587(6) . ? Si7 O10 1.620(6) . ? Si7 O9 1.625(6) . ? Si7 C31' 1.807(19) . ? Si7 C31 1.862(19) . ? O12 Si8' 1.594(16) . ? O12 Si8 1.642(14) . ? C1 C2 1.509(9) . ? C1 C5 1.503(9) . ? C1 H1 0.9900 . ? C2 C3 1.482(9) . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C3 C4 1.494(10) . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C4 C5 1.495(10) . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C1' C2' 1.503(9) . ? C1' C5' 1.504(10) . ? C1' H1' 0.9900 . ? C2' C3' 1.495(10) . ? C2' H2'1 0.9800 . ? C2' H2'2 0.9800 . ? C3' C4' 1.485(10) . ? C3' H3'1 0.9800 . ? C3' H3'2 0.9800 . ? C4' C5' 1.494(9) . ? C4' H4'1 0.9800 . ? C4' H4'2 0.9800 . ? C5' H5'1 0.9800 . ? C5' H5'2 0.9800 . ? C6 C7 1.490(10) . ? C6 C10 1.496(9) . ? C6 H6 0.9900 . ? C7 C8 1.495(10) . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C8 C9 1.480(10) . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C9 C10 1.474(9) . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C6' C10' 1.490(9) . ? C6' C7' 1.487(9) . ? C6' H6' 0.9900 . ? C7' C8' 1.495(10) . ? C7' H7'1 0.9800 . ? C7' H7'2 0.9800 . ? C8' C9' 1.484(9) . ? C8' H8'1 0.9800 . ? C8' H8'2 0.9800 . ? C9' C10' 1.491(9) . ? C9' H9'1 0.9800 . ? C9' H9'2 0.9800 . ? C10' H10C 0.9800 . ? C10' H10D 0.9800 . ? C11 C12 1.475(10) . ? C11 C15 1.492(10) . ? C11 H11 0.9900 . ? C12 C13 1.494(10) . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C13 C14 1.490(10) . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C14 C15 1.496(10) . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C11' C12' 1.487(11) . ? C11' C15' 1.485(10) . ? C11' H11' 0.9900 . ? C12' C13' 1.500(10) . ? C12' H12C 0.9800 . ? C12' H12D 0.9800 . ? C13' C14' 1.486(10) . ? C13' H13C 0.9800 . ? C13' H13D 0.9800 . ? C14' C15' 1.493(10) . ? C14' H14C 0.9800 . ? C14' H14D 0.9800 . ? C15' H15C 0.9800 . ? C15' H15D 0.9800 . ? C11" C15" 1.483(10) . ? C11" C12" 1.489(10) . ? C11" H11" 0.9900 . ? C12" C13" 1.485(10) . ? C12" H12E 0.9800 . ? C12" H12F 0.9800 . ? C13" C14" 1.501(10) . ? C13" H13E 0.9800 . ? C13" H13F 0.9800 . ? C14" C15" 1.491(10) . ? C14" H14E 0.9800 . ? C14" H14F 0.9800 . ? C15" H15E 0.9800 . ? C15" H15F 0.9800 . ? C16 C17 1.509(12) . ? C16 C20 1.569(12) . ? C16 H16 0.9900 . ? C17 C18 1.496(14) . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C18 C19 1.499(17) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C19 C20 1.463(14) . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C21 C25 1.495(11) . ? C21 C22 1.537(12) . ? C21 H21 0.9900 . ? C22 C23 1.495(14) . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C23 C24 1.477(15) . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C24 C25 1.519(14) . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C26 C30 1.498(9) . ? C26 C27 1.509(9) . ? C26 H26 0.9900 . ? C27 C28 1.491(9) . ? C27 H27A 0.9800 . ? C27 H27B 0.9800 . ? C28 C29 1.487(10) . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C29 C30 1.502(10) . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C26' C27' 1.501(10) . ? C26' C30' 1.498(9) . ? C26' H26' 0.9900 . ? C27' C28' 1.497(10) . ? C27' H27C 0.9800 . ? C27' H27D 0.9800 . ? C28' C29' 1.486(10) . ? C28' H28C 0.9800 . ? C28' H28D 0.9800 . ? C29' C30' 1.496(9) . ? C29' H29C 0.9800 . ? C29' H29D 0.9800 . ? C30' H30C 0.9800 . ? C30' H30D 0.9800 . ? C31 C35 1.497(10) . ? C31 C32 1.504(10) . ? C31 H31 0.9900 . ? C32 C33 1.484(10) . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C33 C34 1.498(10) . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C34 C35 1.496(10) . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C31' C35' 1.491(10) . ? C31' C32' 1.494(10) . ? C31' H31' 0.9900 . ? C32' C33' 1.487(10) . ? C32' H32C 0.9800 . ? C32' H32D 0.9800 . ? C33' C34' 1.498(10) . ? C33' H33C 0.9800 . ? C33' H33D 0.9800 . ? C34' C35' 1.486(9) . ? C34' H34C 0.9800 . ? C34' H34D 0.9800 . ? C35' H35C 0.9800 . ? C35' H35D 0.9800 . ? Si8 C38 1.809(12) . ? Si8 C37 1.816(13) . ? Si8 C36 1.819(13) . ? C36 H36A 0.9700 . ? C36 H36B 0.9700 . ? C36 H36C 0.9700 . ? C37 H37A 0.9700 . ? C37 H37B 0.9700 . ? C37 H37C 0.9700 . ? C38 H38A 0.9700 . ? C38 H38B 0.9700 . ? C38 H38C 0.9700 . ? Si8' C38' 1.808(13) . ? Si8' C36' 1.812(13) . ? Si8' C37' 1.825(13) . ? C36' H36D 0.9700 . ? C36' H36E 0.9700 . ? C36' H36F 0.9700 . ? C37' H37D 0.9700 . ? C37' H37E 0.9700 . ? C37' H37F 0.9700 . ? C38' H38D 0.9700 . ? C38' H38E 0.9700 . ? C38' H38F 0.9700 . ? C39 C46 1.497(12) . ? C39 C40 1.513(11) . ? C39 H39A 0.9800 . ? C39 H39B 0.9800 . ? C40 C41 1.387(11) . ? C40 H40 0.9400 . ? C41 C42 1.487(11) . ? C41 H41 0.9400 . ? C42 C43 1.523(12) . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C43 C44 1.519(11) . ? C43 H43A 0.9800 . ? C43 H43B 0.9800 . ? C44 C45 1.376(10) . ? C44 H44 0.9400 . ? C45 C46 1.499(11) . ? C45 H45 0.9400 . ? C46 H46A 0.9800 . ? C46 H46B 0.9800 . ? 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 O1 Pt1 O11 90.4(2) . . ? O1 Pt1 C44 160.5(3) . . ? O11 Pt1 C44 93.1(3) . . ? O1 Pt1 C41 88.1(3) . . ? O11 Pt1 C41 161.4(3) . . ? C44 Pt1 C41 82.5(3) . . ? O1 Pt1 C40 92.4(3) . . ? O11 Pt1 C40 160.7(3) . . ? C44 Pt1 C40 90.6(3) . . ? C41 Pt1 C40 37.9(3) . . ? O1 Pt1 C45 161.6(3) . . ? O11 Pt1 C45 89.9(3) . . ? C44 Pt1 C45 37.7(3) . . ? C41 Pt1 C45 97.3(3) . . ? C40 Pt1 C45 81.5(3) . . ? O1 Si1 O5 112.6(3) . . ? O1 Si1 O2 109.8(3) . . ? O5 Si1 O2 107.2(3) . . ? O1 Si1 C1' 105.9(12) . . ? O5 Si1 C1' 109.4(7) . . ? O2 Si1 C1' 112.0(9) . . ? O1 Si1 C1 109.9(7) . . ? O5 Si1 C1 106.0(6) . . ? O2 Si1 C1 111.2(5) . . ? C1' Si1 C1 4.3(16) . . ? O2 Si2 O10 108.1(3) . . ? O2 Si2 O3 110.4(3) . . ? O10 Si2 O3 108.1(3) . . ? O2 Si2 C6 115.2(8) . . ? O10 Si2 C6 103.1(9) . . ? O3 Si2 C6 111.4(7) . . ? O2 Si2 C6' 105.7(7) . . ? O10 Si2 C6' 114.0(7) . . ? O3 Si2 C6' 110.5(5) . . ? C6 Si2 C6' 12.0(11) . . ? O4 Si3 O3 109.6(3) . . ? O4 Si3 O8 109.2(3) . . ? O3 Si3 O8 109.0(3) . . ? O4 Si3 C11" 98.2(18) . . ? O3 Si3 C11" 114.8(15) . . ? O8 Si3 C11" 115.4(13) . . ? O4 Si3 C11' 111.0(8) . . ? O3 Si3 C11' 104.3(10) . . ? O8 Si3 C11' 113.6(9) . . ? C11" Si3 C11' 14(2) . . ? O4 Si3 C11 108.8(7) . . ? O3 Si3 C11 116.0(8) . . ? O8 Si3 C11 103.9(8) . . ? C11" Si3 C11 13.0(18) . . ? C11' Si3 C11 12.6(11) . . ? O6 Si4 O5 109.6(3) . . ? O6 Si4 O4 109.3(3) . . ? O5 Si4 O4 109.5(3) . . ? O6 Si4 C16 111.5(3) . . ? O5 Si4 C16 109.5(3) . . ? O4 Si4 C16 107.5(3) . . ? O11 Si5 O6 111.9(3) . . ? O11 Si5 O7 110.0(3) . . ? O6 Si5 O7 107.6(3) . . ? O11 Si5 C21 112.4(3) . . ? O6 Si5 C21 106.5(3) . . ? O7 Si5 C21 108.1(3) . . ? O7 Si6 O9 107.6(3) . . ? O7 Si6 O8 110.3(3) . . ? O9 Si6 O8 108.2(3) . . ? O7 Si6 C26' 113.1(11) . . ? O9 Si6 C26' 105.1(11) . . ? O8 Si6 C26' 112.2(8) . . ? O7 Si6 C26 110.9(6) . . ? O9 Si6 C26 110.4(7) . . ? O8 Si6 C26 109.4(6) . . ? C26' Si6 C26 5.3(15) . . ? O12 Si7 O10 107.6(3) . . ? O12 Si7 O9 107.6(3) . . ? O10 Si7 O9 108.7(3) . . ? O12 Si7 C31' 109.8(11) . . ? O10 Si7 C31' 115.2(7) . . ? O9 Si7 C31' 107.7(9) . . ? O12 Si7 C31 113.1(9) . . ? O10 Si7 C31 105.9(9) . . ? O9 Si7 C31 113.6(6) . . ? C31' Si7 C31 9.3(10) . . ? Si1 O1 Pt1 127.7(3) . . ? Si2 O2 Si1 151.6(4) . . ? Si3 O3 Si2 147.0(4) . . ? Si3 O4 Si4 144.8(4) . . ? Si4 O5 Si1 151.9(3) . . ? Si4 O6 Si5 141.1(3) . . ? Si6 O7 Si5 150.4(4) . . ? Si6 O8 Si3 144.7(4) . . ? Si6 O9 Si7 142.0(4) . . ? Si2 O10 Si7 144.2(4) . . ? Si5 O11 Pt1 132.9(3) . . ? Si7 O12 Si8' 154.4(6) . . ? Si7 O12 Si8 167.5(6) . . ? Si8' O12 Si8 20.2(6) . . ? C2 C1 C5 106.8(6) . . ? C2 C1 Si1 112.1(14) . . ? C5 C1 Si1 114.3(13) . . ? C2 C1 H1 107.8 . . ? C5 C1 H1 107.9 . . ? Si1 C1 H1 107.6 . . ? C3 C2 C1 107.6(5) . . ? C3 C2 H2A 110.3 . . ? C1 C2 H2A 111.0 . . ? C3 C2 H2B 110.1 . . ? C1 C2 H2B 109.4 . . ? H2A C2 H2B 108.5 . . ? C2 C3 C4 108.1(6) . . ? C2 C3 H3A 110.1 . . ? C4 C3 H3A 110.2 . . ? C2 C3 H3B 110.0 . . ? C4 C3 H3B 110.0 . . ? H3A C3 H3B 108.4 . . ? C3 C4 C5 106.6(6) . . ? C3 C4 H4A 110.3 . . ? C5 C4 H4A 110.5 . . ? C3 C4 H4B 110.4 . . ? C5 C4 H4B 110.4 . . ? H4A C4 H4B 108.6 . . ? C4 C5 C1 106.8(6) . . ? C4 C5 H5A 110.1 . . ? C1 C5 H5A 109.6 . . ? C4 C5 H5B 110.4 . . ? C1 C5 H5B 111.4 . . ? H5A C5 H5B 108.6 . . ? C2' C1' C5' 106.2(7) . . ? C2' C1' Si1 115.9(17) . . ? C5' C1' Si1 119.6(18) . . ? C2' C1' H1' 104.4 . . ? C5' C1' H1' 104.3 . . ? Si1 C1' H1' 104.6 . . ? C3' C2' C1' 106.3(7) . . ? C3' C2' H2'1 110.5 . . ? C1' C2' H2'1 109.7 . . ? C3' C2' H2'2 110.4 . . ? C1' C2' H2'2 111.2 . . ? H2'1 C2' H2'2 108.7 . . ? C4' C3' C2' 107.4(6) . . ? C4' C3' H3'1 110.1 . . ? C2' C3' H3'1 110.2 . . ? C4' C3' H3'2 110.2 . . ? C2' C3' H3'2 110.4 . . ? H3'1 C3' H3'2 108.5 . . ? C3' C4' C5' 108.0(5) . . ? C3' C4' H4'1 110.2 . . ? C5' C4' H4'1 109.9 . . ? C3' C4' H4'2 110.2 . . ? C5' C4' H4'2 110.1 . . ? H4'1 C4' H4'2 108.4 . . ? C4' C5' C1' 107.0(6) . . ? C4' C5' H5'1 110.6 . . ? C1' C5' H5'1 111.1 . . ? C4' C5' H5'2 110.3 . . ? C1' C5' H5'2 109.3 . . ? H5'1 C5' H5'2 108.6 . . ? C7 C6 C10 107.0(6) . . ? C7 C6 Si2 121.0(17) . . ? C10 C6 Si2 115.2(17) . . ? C7 C6 H6 103.9 . . ? C10 C6 H6 103.8 . . ? Si2 C6 H6 103.9 . . ? C6 C7 C8 107.0(6) . . ? C6 C7 H7A 110.2 . . ? C8 C7 H7A 110.4 . . ? C6 C7 H7B 110.4 . . ? C8 C7 H7B 110.3 . . ? H7A C7 H7B 108.6 . . ? C9 C8 C7 107.5(6) . . ? C9 C8 H8A 110.4 . . ? C7 C8 H8A 110.2 . . ? C9 C8 H8B 110.0 . . ? C7 C8 H8B 110.1 . . ? H8A C8 H8B 108.5 . . ? C10 C9 C8 108.1(6) . . ? C10 C9 H9A 109.9 . . ? C8 C9 H9A 109.9 . . ? C10 C9 H9B 110.3 . . ? C8 C9 H9B 110.3 . . ? H9A C9 H9B 108.4 . . ? C9 C10 C6 108.1(6) . . ? C9 C10 H10A 109.9 . . ? C6 C10 H10A 110.0 . . ? C9 C10 H10B 110.2 . . ? C6 C10 H10B 110.2 . . ? H10A C10 H10B 108.4 . . ? C10' C6' C7' 107.4(6) . . ? C10' C6' Si2 116.5(13) . . ? C7' C6' Si2 119.0(14) . . ? C10' C6' H6' 104.1 . . ? C7' C6' H6' 104.0 . . ? Si2 C6' H6' 104.0 . . ? C6' C7' C8' 107.2(6) . . ? C6' C7' H7'1 110.2 . . ? C8' C7' H7'1 110.4 . . ? C6' C7' H7'2 110.4 . . ? C8' C7' H7'2 110.2 . . ? H7'1 C7' H7'2 108.5 . . ? C9' C8' C7' 107.6(6) . . ? C9' C8' H8'1 110.4 . . ? C7' C8' H8'1 110.3 . . ? C9' C8' H8'2 110.0 . . ? C7' C8' H8'2 110.1 . . ? H8'1 C8' H8'2 108.5 . . ? C8' C9' C10' 107.7(6) . . ? C8' C9' H9'1 110.4 . . ? C10' C9' H9'1 110.2 . . ? C8' C9' H9'2 110.0 . . ? C10' C9' H9'2 110.2 . . ? H9'1 C9' H9'2 108.5 . . ? C9' C10' C6' 107.9(5) . . ? C9' C10' H10C 110.1 . . ? C6' C10' H10C 110.1 . . ? C9' C10' H10D 110.1 . . ? C6' C10' H10D 110.1 . . ? H10C C10' H10D 108.4 . . ? C12 C11 C15 108.3(6) . . ? C12 C11 Si3 124.7(14) . . ? C15 C11 Si3 126.9(14) . . ? C12 C11 H11 90.5 . . ? C15 C11 H11 87.5 . . ? Si3 C11 H11 89.2 . . ? C11 C12 C13 107.7(6) . . ? C11 C12 H12A 109.6 . . ? C13 C12 H12A 110.0 . . ? C11 C12 H12B 110.1 . . ? C13 C12 H12B 110.9 . . ? H12A C12 H12B 108.6 . . ? C14 C13 C12 107.9(6) . . ? C14 C13 H13A 111.8 . . ? C12 C13 H13A 109.5 . . ? C14 C13 H13B 108.8 . . ? C12 C13 H13B 110.5 . . ? H13A C13 H13B 108.4 . . ? C13 C14 C15 107.5(7) . . ? C13 C14 H14A 111.7 . . ? C15 C14 H14A 109.5 . . ? C13 C14 H14B 108.6 . . ? C15 C14 H14B 111.1 . . ? H14A C14 H14B 108.5 . . ? C11 C15 C14 106.9(6) . . ? C11 C15 H15A 107.8 . . ? C14 C15 H15A 109.5 . . ? C11 C15 H15B 113.0 . . ? C14 C15 H15B 110.9 . . ? H15A C15 H15B 108.6 . . ? C12' C11' C15' 108.2(8) . . ? C12' C11' Si3 124.0(18) . . ? C15' C11' Si3 120.2(18) . . ? C12' C11' H11' 100.9 . . ? C15' C11' H11' 98.0 . . ? Si3 C11' H11' 98.6 . . ? C11' C12' C13' 106.5(8) . . ? C11' C12' H12C 113.2 . . ? C13' C12' H12C 110.5 . . ? C11' C12' H12D 107.1 . . ? C13' C12' H12D 110.8 . . ? H12C C12' H12D 108.6 . . ? C14' C13' C12' 107.8(6) . . ? C14' C13' H13C 108.7 . . ? C12' C13' H13C 109.8 . . ? C14' C13' H13D 112.3 . . ? C12' C13' H13D 109.9 . . ? H13C C13' H13D 108.4 . . ? C13' C14' C15' 108.0(6) . . ? C13' C14' H14C 107.9 . . ? C15' C14' H14C 111.3 . . ? C13' C14' H14D 111.4 . . ? C15' C14' H14D 109.8 . . ? H14C C14' H14D 108.4 . . ? C11' C15' C14' 107.1(6) . . ? C11' C15' H15C 110.3 . . ? C14' C15' H15C 110.5 . . ? C11' C15' H15D 111.4 . . ? C14' C15' H15D 109.1 . . ? H15C C15' H15D 108.5 . . ? C15" C11" C12" 107.8(6) . . ? C15" C11" Si3 127(2) . . ? C12" C11" Si3 125(2) . . ? C15" C11" H11" 90.6 . . ? C12" C11" H11" 90.6 . . ? Si3 C11" H11" 90.5 . . ? C11" C12" C13" 107.6(7) . . ? C11" C12" H12E 110.8 . . ? C13" C12" H12E 108.9 . . ? C11" C12" H12F 110.0 . . ? C13" C12" H12F 111.0 . . ? H12E C12" H12F 108.5 . . ? C12" C13" C14" 107.6(6) . . ? C12" C13" H13E 111.6 . . ? C14" C13" H13E 109.5 . . ? C12" C13" H13F 109.7 . . ? C14" C13" H13F 110.0 . . ? H13E C13" H13F 108.5 . . ? C15" C14" C13" 107.4(6) . . ? C15" C14" H14E 108.4 . . ? C13" C14" H14E 110.3 . . ? C15" C14" H14F 111.2 . . ? C13" C14" H14F 111.0 . . ? H14E C14" H14F 108.5 . . ? C11" C15" C14" 108.1(6) . . ? C11" C15" H15E 109.4 . . ? C14" C15" H15E 111.9 . . ? C11" C15" H15F 110.0 . . ? C14" C15" H15F 109.1 . . ? H15E C15" H15F 108.4 . . ? C17 C16 C20 101.4(7) . . ? C17 C16 Si4 117.9(6) . . ? C20 C16 Si4 111.7(6) . . ? C17 C16 H16 108.4 . . ? C20 C16 H16 108.4 . . ? Si4 C16 H16 108.4 . . ? C18 C17 C16 105.8(8) . . ? C18 C17 H17A 110.5 . . ? C16 C17 H17A 110.5 . . ? C18 C17 H17B 110.6 . . ? C16 C17 H17B 110.6 . . ? H17A C17 H17B 108.7 . . ? C17 C18 C19 105.1(9) . . ? C17 C18 H18A 110.7 . . ? C19 C18 H18A 110.7 . . ? C17 C18 H18B 110.7 . . ? C19 C18 H18B 110.7 . . ? H18A C18 H18B 108.8 . . ? C20 C19 C18 108.3(9) . . ? C20 C19 H19A 110.0 . . ? C18 C19 H19A 110.0 . . ? C20 C19 H19B 110.0 . . ? C18 C19 H19B 110.0 . . ? H19A C19 H19B 108.4 . . ? C19 C20 C16 106.9(9) . . ? C19 C20 H20A 110.3 . . ? C16 C20 H20A 110.4 . . ? C19 C20 H20B 110.3 . . ? C16 C20 H20B 110.3 . . ? H20A C20 H20B 108.6 . . ? C25 C21 C22 103.6(7) . . ? C25 C21 Si5 116.9(6) . . ? C22 C21 Si5 115.4(6) . . ? C25 C21 H21 106.8 . . ? C22 C21 H21 106.8 . . ? Si5 C21 H21 106.8 . . ? C23 C22 C21 105.9(8) . . ? C23 C22 H22A 110.6 . . ? C21 C22 H22A 110.5 . . ? C23 C22 H22B 110.6 . . ? C21 C22 H22B 110.6 . . ? H22A C22 H22B 108.7 . . ? C24 C23 C22 108.0(9) . . ? C24 C23 H23A 110.0 . . ? C22 C23 H23A 110.1 . . ? C24 C23 H23B 110.2 . . ? C22 C23 H23B 110.1 . . ? H23A C23 H23B 108.4 . . ? C23 C24 C25 104.3(9) . . ? C23 C24 H24A 110.8 . . ? C25 C24 H24A 110.8 . . ? C23 C24 H24B 111.0 . . ? C25 C24 H24B 111.0 . . ? H24A C24 H24B 108.9 . . ? C21 C25 C24 104.0(8) . . ? C21 C25 H25A 110.9 . . ? C24 C25 H25A 110.9 . . ? C21 C25 H25B 111.0 . . ? C24 C25 H25B 111.0 . . ? H25A C25 H25B 109.0 . . ? C30 C26 C27 107.3(5) . . ? C30 C26 Si6 113.0(16) . . ? C27 C26 Si6 111.7(15) . . ? C30 C26 H26 108.2 . . ? C27 C26 H26 108.2 . . ? Si6 C26 H26 108.3 . . ? C28 C27 C26 106.8(6) . . ? C28 C27 H27A 110.1 . . ? C26 C27 H27A 110.5 . . ? C28 C27 H27B 110.5 . . ? C26 C27 H27B 110.4 . . ? H27A C27 H27B 108.6 . . ? C29 C28 C27 106.7(7) . . ? C29 C28 H28A 110.5 . . ? C27 C28 H28A 110.6 . . ? C29 C28 H28B 110.3 . . ? C27 C28 H28B 110.2 . . ? H28A C28 H28B 108.6 . . ? C28 C29 C30 106.3(7) . . ? C28 C29 H29A 110.5 . . ? C30 C29 H29A 110.2 . . ? C28 C29 H29B 110.4 . . ? C30 C29 H29B 110.7 . . ? H29A C29 H29B 108.7 . . ? C26 C30 C29 106.9(6) . . ? C26 C30 H30A 110.3 . . ? C29 C30 H30A 110.2 . . ? C26 C30 H30B 110.3 . . ? C29 C30 H30B 110.6 . . ? H30A C30 H30B 108.6 . . ? C27' C26' C30' 107.1(6) . . ? C27' C26' Si6 122(2) . . ? C30' C26' Si6 117.9(18) . . ? C27' C26' H26' 102.2 . . ? C30' C26' H26' 102.4 . . ? Si6 C26' H26' 102.3 . . ? C28' C27' C26' 106.5(7) . . ? C28' C27' H27C 110.5 . . ? C26' C27' H27C 110.4 . . ? C28' C27' H27D 110.5 . . ? C26' C27' H27D 110.4 . . ? H27C C27' H27D 108.6 . . ? C29' C28' C27' 106.5(7) . . ? C29' C28' H28C 110.5 . . ? C27' C28' H28C 110.3 . . ? C29' C28' H28D 110.6 . . ? C27' C28' H28D 110.4 . . ? H28C C28' H28D 108.6 . . ? C28' C29' C30' 107.3(6) . . ? C28' C29' H29C 110.1 . . ? C30' C29' H29C 110.5 . . ? C28' C29' H29D 110.3 . . ? C30' C29' H29D 110.1 . . ? H29C C29' H29D 108.5 . . ? C29' C30' C26' 107.5(5) . . ? C29' C30' H30C 110.0 . . ? C26' C30' H30C 110.1 . . ? C29' C30' H30D 110.3 . . ? C26' C30' H30D 110.5 . . ? H30C C30' H30D 108.5 . . ? C35 C31 C32 105.8(7) . . ? C35 C31 Si7 121.0(17) . . ? C32 C31 Si7 115.1(15) . . ? C35 C31 H31 104.2 . . ? C32 C31 H31 104.5 . . ? Si7 C31 H31 104.5 . . ? C33 C32 C31 107.1(6) . . ? C33 C32 H32A 110.6 . . ? C31 C32 H32A 110.2 . . ? C33 C32 H32B 110.1 . . ? C31 C32 H32B 110.3 . . ? H32A C32 H32B 108.5 . . ? C32 C33 C34 107.9(6) . . ? C32 C33 H33A 110.3 . . ? C34 C33 H33A 110.1 . . ? C32 C33 H33B 109.9 . . ? C34 C33 H33B 110.2 . . ? H33A C33 H33B 108.5 . . ? C35 C34 C33 106.7(6) . . ? C35 C34 H34A 110.4 . . ? C33 C34 H34A 110.3 . . ? C35 C34 H34B 110.4 . . ? C33 C34 H34B 110.5 . . ? H34A C34 H34B 108.6 . . ? C34 C35 C31 106.2(7) . . ? C34 C35 H35A 110.5 . . ? C31 C35 H35A 110.8 . . ? C34 C35 H35B 110.5 . . ? C31 C35 H35B 110.2 . . ? H35A C35 H35B 108.7 . . ? C35' C31' C32' 107.1(6) . . ? C35' C31' Si7 121.2(14) . . ? C32' C31' Si7 122.2(16) . . ? C35' C31' H31' 100.2 . . ? C32' C31' H31' 100.5 . . ? Si7 C31' H31' 100.3 . . ? C33' C32' C31' 107.2(7) . . ? C33' C32' H32C 110.2 . . ? C31' C32' H32C 110.6 . . ? C33' C32' H32D 110.2 . . ? C31' C32' H32D 110.0 . . ? H32C C32' H32D 108.5 . . ? C32' C33' C34' 107.2(6) . . ? C32' C33' H33C 110.3 . . ? C34' C33' H33C 110.2 . . ? C32' C33' H33D 110.4 . . ? C34' C33' H33D 110.3 . . ? H33C C33' H33D 108.5 . . ? C35' C34' C33' 107.7(6) . . ? C35' C34' H34C 110.4 . . ? C33' C34' H34C 110.1 . . ? C35' C34' H34D 109.9 . . ? C33' C34' H34D 110.2 . . ? H34C C34' H34D 108.5 . . ? C34' C35' C31' 107.9(6) . . ? C34' C35' H35C 110.4 . . ? C31' C35' H35C 110.0 . . ? C34' C35' H35D 109.9 . . ? C31' C35' H35D 110.2 . . ? H35C C35' H35D 108.4 . . ? O12 Si8 C38 109.5(12) . . ? O12 Si8 C37 111.1(10) . . ? C38 Si8 C37 111.2(7) . . ? O12 Si8 C36 105.1(10) . . ? C38 Si8 C36 110.4(7) . . ? C37 Si8 C36 109.2(7) . . ? Si8 C36 H36A 109.4 . . ? Si8 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? Si8 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? Si8 C37 H37A 109.5 . . ? Si8 C37 H37B 109.5 . . ? H37A C37 H37B 109.5 . . ? Si8 C37 H37C 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? Si8 C38 H38A 109.5 . . ? Si8 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? Si8 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? O12 Si8' C38' 116.0(14) . . ? O12 Si8' C36' 108.1(12) . . ? C38' Si8' C36' 111.3(8) . . ? O12 Si8' C37' 103.8(11) . . ? C38' Si8' C37' 107.3(10) . . ? C36' Si8' C37' 109.9(8) . . ? Si8' C36' H36D 109.5 . . ? Si8' C36' H36E 109.4 . . ? H36D C36' H36E 109.5 . . ? Si8' C36' H36F 109.5 . . ? H36D C36' H36F 109.5 . . ? H36E C36' H36F 109.5 . . ? Si8' C37' H37D 109.5 . . ? Si8' C37' H37E 109.5 . . ? H37D C37' H37E 109.5 . . ? Si8' C37' H37F 109.4 . . ? H37D C37' H37F 109.5 . . ? H37E C37' H37F 109.5 . . ? Si8' C38' H38D 109.5 . . ? Si8' C38' H38E 109.4 . . ? H38D C38' H38E 109.5 . . ? Si8' C38' H38F 109.5 . . ? H38D C38' H38F 109.5 . . ? H38E C38' H38F 109.5 . . ? C46 C39 C40 114.1(7) . . ? C46 C39 H39A 108.7 . . ? C40 C39 H39A 108.7 . . ? C46 C39 H39B 108.7 . . ? C40 C39 H39B 108.7 . . ? H39A C39 H39B 107.6 . . ? C41 C40 C39 122.3(7) . . ? C41 C40 Pt1 70.6(4) . . ? C39 C40 Pt1 112.3(5) . . ? C41 C40 H40 118.8 . . ? C39 C40 H40 118.8 . . ? Pt1 C40 H40 87.2 . . ? C40 C41 C42 125.9(7) . . ? C40 C41 Pt1 71.5(4) . . ? C42 C41 Pt1 109.5(5) . . ? C40 C41 H41 117.0 . . ? C42 C41 H41 117.0 . . ? Pt1 C41 H41 88.9 . . ? C41 C42 C43 114.3(7) . . ? C41 C42 H42A 108.7 . . ? C43 C42 H42A 108.7 . . ? C41 C42 H42B 108.7 . . ? C43 C42 H42B 108.7 . . ? H42A C42 H42B 107.6 . . ? C44 C43 C42 113.0(6) . . ? C44 C43 H43A 109.0 . . ? C42 C43 H43A 109.0 . . ? C44 C43 H43B 109.0 . . ? C42 C43 H43B 109.0 . . ? H43A C43 H43B 107.8 . . ? C45 C44 C43 124.1(7) . . ? C45 C44 Pt1 71.9(4) . . ? C43 C44 Pt1 112.3(5) . . ? C45 C44 H44 118.0 . . ? C43 C44 H44 117.9 . . ? Pt1 C44 H44 85.8 . . ? C44 C45 C46 124.6(7) . . ? C44 C45 Pt1 70.4(4) . . ? C46 C45 Pt1 110.8(5) . . ? C44 C45 H45 117.7 . . ? C46 C45 H45 117.7 . . ? Pt1 C45 H45 88.7 . . ? C39 C46 C45 113.8(7) . . ? C39 C46 H46A 108.8 . . ? C45 C46 H46A 108.8 . . ? C39 C46 H46B 108.8 . . ? C45 C46 H46B 108.8 . . ? H46A C46 H46B 107.7 . . ? 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 O5 Si1 O1 Pt1 -87.5(4) . . . . ? O2 Si1 O1 Pt1 31.8(5) . . . . ? C1' Si1 O1 Pt1 153.0(7) . . . . ? C1 Si1 O1 Pt1 154.5(5) . . . . ? O11 Pt1 O1 Si1 78.9(4) . . . . ? C44 Pt1 O1 Si1 -21.6(10) . . . . ? C41 Pt1 O1 Si1 -82.5(4) . . . . ? C40 Pt1 O1 Si1 -120.2(4) . . . . ? C45 Pt1 O1 Si1 169.8(7) . . . . ? O10 Si2 O2 Si1 158.2(7) . . . . ? O3 Si2 O2 Si1 40.2(9) . . . . ? C6 Si2 O2 Si1 -87.0(12) . . . . ? C6' Si2 O2 Si1 -79.3(10) . . . . ? O1 Si1 O2 Si2 -166.7(7) . . . . ? O5 Si1 O2 Si2 -44.1(9) . . . . ? C1' Si1 O2 Si2 75.9(13) . . . . ? C1 Si1 O2 Si2 71.4(11) . . . . ? O4 Si3 O3 Si2 -72.1(7) . . . . ? O8 Si3 O3 Si2 47.4(8) . . . . ? C11" Si3 O3 Si2 178.6(19) . . . . ? C11' Si3 O3 Si2 169.1(10) . . . . ? C11 Si3 O3 Si2 164.2(10) . . . . ? O2 Si2 O3 Si3 49.0(8) . . . . ? O10 Si2 O3 Si3 -69.1(7) . . . . ? C6 Si2 O3 Si3 178.3(11) . . . . ? C6' Si2 O3 Si3 165.5(9) . . . . ? O3 Si3 O4 Si4 57.6(8) . . . . ? O8 Si3 O4 Si4 -61.8(8) . . . . ? C11" Si3 O4 Si4 177.6(14) . . . . ? C11' Si3 O4 Si4 172.2(12) . . . . ? C11 Si3 O4 Si4 -174.6(10) . . . . ? O6 Si4 O4 Si3 63.5(7) . . . . ? O5 Si4 O4 Si3 -56.5(8) . . . . ? C16 Si4 O4 Si3 -175.3(7) . . . . ? O6 Si4 O5 Si1 -50.5(9) . . . . ? O4 Si4 O5 Si1 69.3(9) . . . . ? C16 Si4 O5 Si1 -173.1(8) . . . . ? O1 Si1 O5 Si4 77.9(9) . . . . ? O2 Si1 O5 Si4 -42.9(9) . . . . ? C1' Si1 O5 Si4 -164.5(14) . . . . ? C1 Si1 O5 Si4 -161.8(10) . . . . ? O5 Si4 O6 Si5 40.7(7) . . . . ? O4 Si4 O6 Si5 -79.3(6) . . . . ? C16 Si4 O6 Si5 162.0(6) . . . . ? O11 Si5 O6 Si4 -67.7(6) . . . . ? O7 Si5 O6 Si4 53.3(6) . . . . ? C21 Si5 O6 Si4 169.1(6) . . . . ? O9 Si6 O7 Si5 -171.4(7) . . . . ? O8 Si6 O7 Si5 -53.6(9) . . . . ? C26' Si6 O7 Si5 72.9(13) . . . . ? C26 Si6 O7 Si5 67.8(10) . . . . ? O11 Si5 O7 Si6 169.6(7) . . . . ? O6 Si5 O7 Si6 47.4(8) . . . . ? C21 Si5 O7 Si6 -67.3(8) . . . . ? O7 Si6 O8 Si3 -39.5(7) . . . . ? O9 Si6 O8 Si3 77.9(7) . . . . ? C26' Si6 O8 Si3 -166.5(13) . . . . ? C26 Si6 O8 Si3 -161.7(9) . . . . ? O4 Si3 O8 Si6 69.1(7) . . . . ? O3 Si3 O8 Si6 -50.6(7) . . . . ? C11" Si3 O8 Si6 179(2) . . . . ? C11' Si3 O8 Si6 -166.4(11) . . . . ? C11 Si3 O8 Si6 -174.9(9) . . . . ? O7 Si6 O9 Si7 102.6(6) . . . . ? O8 Si6 O9 Si7 -16.6(7) . . . . ? C26' Si6 O9 Si7 -136.6(11) . . . . ? C26 Si6 O9 Si7 -136.3(8) . . . . ? O12 Si7 O9 Si6 -169.4(6) . . . . ? O10 Si7 O9 Si6 -53.1(7) . . . . ? C31' Si7 O9 Si6 72.3(11) . . . . ? C31 Si7 O9 Si6 64.5(12) . . . . ? O2 Si2 O10 Si7 -115.7(6) . . . . ? O3 Si2 O10 Si7 3.8(8) . . . . ? C6 Si2 O10 Si7 121.9(10) . . . . ? C6' Si2 O10 Si7 127.1(8) . . . . ? O12 Si7 O10 Si2 178.5(6) . . . . ? O9 Si7 O10 Si2 62.3(7) . . . . ? C31' Si7 O10 Si2 -58.6(14) . . . . ? C31 Si7 O10 Si2 -60.2(10) . . . . ? O6 Si5 O11 Pt1 100.6(4) . . . . ? O7 Si5 O11 Pt1 -19.0(5) . . . . ? C21 Si5 O11 Pt1 -139.6(4) . . . . ? O1 Pt1 O11 Si5 -90.8(4) . . . . ? C44 Pt1 O11 Si5 70.0(4) . . . . ? C41 Pt1 O11 Si5 -5.5(10) . . . . ? C40 Pt1 O11 Si5 170.8(7) . . . . ? C45 Pt1 O11 Si5 107.6(4) . . . . ? O10 Si7 O12 Si8' 176.7(16) . . . . ? O9 Si7 O12 Si8' -66.3(16) . . . . ? C31' Si7 O12 Si8' 50.6(18) . . . . ? C31 Si7 O12 Si8' 60.0(18) . . . . ? O10 Si7 O12 Si8 125(3) . . . . ? O9 Si7 O12 Si8 -118(3) . . . . ? C31' Si7 O12 Si8 -1(3) . . . . ? C31 Si7 O12 Si8 9(3) . . . . ? O1 Si1 C1 C2 51.8(13) . . . . ? O5 Si1 C1 C2 -70.2(13) . . . . ? O2 Si1 C1 C2 173.6(11) . . . . ? C1' Si1 C1 C2 72(16) . . . . ? O1 Si1 C1 C5 -69.9(14) . . . . ? O5 Si1 C1 C5 168.1(12) . . . . ? O2 Si1 C1 C5 51.9(15) . . . . ? C1' Si1 C1 C5 -49(15) . . . . ? C5 C1 C2 C3 -6(3) . . . . ? Si1 C1 C2 C3 -132.2(16) . . . . ? C1 C2 C3 C4 -7(3) . . . . ? C2 C3 C4 C5 17(3) . . . . ? C3 C4 C5 C1 -21(3) . . . . ? C2 C1 C5 C4 17(3) . . . . ? Si1 C1 C5 C4 141.4(17) . . . . ? O1 Si1 C1' C2' 78(2) . . . . ? O5 Si1 C1' C2' -44(2) . . . . ? O2 Si1 C1' C2' -162.5(17) . . . . ? C1 Si1 C1' C2' -82(15) . . . . ? O1 Si1 C1' C5' -51(2) . . . . ? O5 Si1 C1' C5' -173.1(19) . . . . ? O2 Si1 C1' C5' 68(2) . . . . ? C1 Si1 C1' C5' 148(18) . . . . ? C5' C1' C2' C3' -23(3) . . . . ? Si1 C1' C2' C3' -158(2) . . . . ? C1' C2' C3' C4' 20(3) . . . . ? C2' C3' C4' C5' -9(3) . . . . ? C3' C4' C5' C1' -6(3) . . . . ? C2' C1' C5' C4' 18(3) . . . . ? Si1 C1' C5' C4' 151(2) . . . . ? O2 Si2 C6 C7 157.3(16) . . . . ? O10 Si2 C6 C7 -85.1(19) . . . . ? O3 Si2 C6 C7 31(2) . . . . ? C6' Si2 C6 C7 119(6) . . . . ? O2 Si2 C6 C10 -71(2) . . . . ? O10 Si2 C6 C10 46(2) . . . . ? O3 Si2 C6 C10 161.9(16) . . . . ? C6' Si2 C6 C10 -110(6) . . . . ? C10 C6 C7 C8 14(3) . . . . ? Si2 C6 C7 C8 149.0(19) . . . . ? C6 C7 C8 C9 -15(3) . . . . ? C7 C8 C9 C10 10(4) . . . . ? C8 C9 C10 C6 -1(4) . . . . ? C7 C6 C10 C9 -8(4) . . . . ? Si2 C6 C10 C9 -146(2) . . . . ? O2 Si2 C6' C10' -77.8(16) . . . . ? O10 Si2 C6' C10' 40.8(18) . . . . ? O3 Si2 C6' C10' 162.8(14) . . . . ? C6 Si2 C6' C10' 66(5) . . . . ? O2 Si2 C6' C7' 151.0(15) . . . . ? O10 Si2 C6' C7' -90.4(16) . . . . ? O3 Si2 C6' C7' 31.6(18) . . . . ? C6 Si2 C6' C7' -65(5) . . . . ? C10' C6' C7' C8' 14(3) . . . . ? Si2 C6' C7' C8' 149.1(18) . . . . ? C6' C7' C8' C9' -14(3) . . . . ? C7' C8' C9' C10' 9(3) . . . . ? C8' C9' C10' C6' -1(3) . . . . ? C7' C6' C10' C9' -8(3) . . . . ? Si2 C6' C10' C9' -144.8(17) . . . . ? O4 Si3 C11 C12 -179(3) . . . . ? O3 Si3 C11 C12 -55(3) . . . . ? O8 Si3 C11 C12 64(3) . . . . ? C11" Si3 C11 C12 -143(9) . . . . ? C11' Si3 C11 C12 -77(6) . . . . ? O4 Si3 C11 C15 -3(3) . . . . ? O3 Si3 C11 C15 121(3) . . . . ? O8 Si3 C11 C15 -119(3) . . . . ? C11" Si3 C11 C15 33(8) . . . . ? C11' Si3 C11 C15 99(6) . . . . ? C15 C11 C12 C13 -9(4) . . . . ? Si3 C11 C12 C13 168(3) . . . . ? C11 C12 C13 C14 1(5) . . . . ? C12 C13 C14 C15 7(5) . . . . ? C12 C11 C15 C14 13(4) . . . . ? Si3 C11 C15 C14 -164(3) . . . . ? C13 C14 C15 C11 -12(4) . . . . ? O4 Si3 C11' C12' 174(3) . . . . ? O3 Si3 C11' C12' -68(3) . . . . ? O8 Si3 C11' C12' 50(3) . . . . ? C11" Si3 C11' C12' 151(9) . . . . ? C11 Si3 C11' C12' 91(6) . . . . ? O4 Si3 C11' C15' -40(3) . . . . ? O3 Si3 C11' C15' 78(3) . . . . ? O8 Si3 C11' C15' -164(3) . . . . ? C11" Si3 C11' C15' -63(8) . . . . ? C11 Si3 C11' C15' -123(7) . . . . ? C15' C11' C12' C13' 16(4) . . . . ? Si3 C11' C12' C13' 165(3) . . . . ? C11' C12' C13' C14' -12(5) . . . . ? C12' C13' C14' C15' 4(5) . . . . ? C12' C11' C15' C14' -13(5) . . . . ? Si3 C11' C15' C14' -164(3) . . . . ? C13' C14' C15' C11' 6(5) . . . . ? O4 Si3 C11" C15" -82(5) . . . . ? O3 Si3 C11" C15" 34(5) . . . . ? O8 Si3 C11" C15" 162(4) . . . . ? C11' Si3 C11" C15" 77(8) . . . . ? C11 Si3 C11" C15" 133(11) . . . . ? O4 Si3 C11" C12" 96(4) . . . . ? O3 Si3 C11" C12" -148(4) . . . . ? O8 Si3 C11" C12" -20(5) . . . . ? C11' Si3 C11" C12" -106(9) . . . . ? C11 Si3 C11" C12" -49(6) . . . . ? C15" C11" C12" C13" -12(5) . . . . ? Si3 C11" C12" C13" 169(4) . . . . ? C11" C12" C13" C14" 12(4) . . . . ? C12" C13" C14" C15" -7(5) . . . . ? C12" C11" C15" C14" 8(5) . . . . ? Si3 C11" C15" C14" -174(4) . . . . ? C13" C14" C15" C11" -1(5) . . . . ? O6 Si4 C16 C17 -62.9(8) . . . . ? O5 Si4 C16 C17 58.5(8) . . . . ? O4 Si4 C16 C17 177.3(7) . . . . ? O6 Si4 C16 C20 -179.8(6) . . . . ? O5 Si4 C16 C20 -58.4(7) . . . . ? O4 Si4 C16 C20 60.5(7) . . . . ? C20 C16 C17 C18 -34.9(10) . . . . ? Si4 C16 C17 C18 -157.2(8) . . . . ? C16 C17 C18 C19 32.4(13) . . . . ? C17 C18 C19 C20 -15.9(15) . . . . ? C18 C19 C20 C16 -6.0(14) . . . . ? C17 C16 C20 C19 25.0(11) . . . . ? Si4 C16 C20 C19 151.6(8) . . . . ? O11 Si5 C21 C25 -80.8(7) . . . . ? O6 Si5 C21 C25 42.1(8) . . . . ? O7 Si5 C21 C25 157.5(7) . . . . ? O11 Si5 C21 C22 41.4(8) . . . . ? O6 Si5 C21 C22 164.3(7) . . . . ? O7 Si5 C21 C22 -80.3(8) . . . . ? C25 C21 C22 C23 -22.3(12) . . . . ? Si5 C21 C22 C23 -151.3(8) . . . . ? C21 C22 C23 C24 -0.3(15) . . . . ? C22 C23 C24 C25 22.5(15) . . . . ? C22 C21 C25 C24 35.9(10) . . . . ? Si5 C21 C25 C24 164.0(7) . . . . ? C23 C24 C25 C21 -36.6(12) . . . . ? O7 Si6 C26 C30 68.1(14) . . . . ? O9 Si6 C26 C30 -51.1(14) . . . . ? O8 Si6 C26 C30 -170.0(11) . . . . ? C26' Si6 C26 C30 -47(14) . . . . ? O7 Si6 C26 C27 -170.8(11) . . . . ? O9 Si6 C26 C27 70.0(13) . . . . ? O8 Si6 C26 C27 -48.9(14) . . . . ? C26' Si6 C26 C27 74(15) . . . . ? C30 C26 C27 C28 -8(3) . . . . ? Si6 C26 C27 C28 -131.8(18) . . . . ? C26 C27 C28 C29 20(3) . . . . ? C27 C28 C29 C30 -25(3) . . . . ? C27 C26 C30 C29 -8(3) . . . . ? Si6 C26 C30 C29 116(2) . . . . ? C28 C29 C30 C26 20(3) . . . . ? O7 Si6 C26' C27' -150(2) . . . . ? O9 Si6 C26' C27' 92(2) . . . . ? O8 Si6 C26' C27' -25(3) . . . . ? C26 Si6 C26' C27' -84(14) . . . . ? O7 Si6 C26' C30' 74(3) . . . . ? O9 Si6 C26' C30' -43(3) . . . . ? O8 Si6 C26' C30' -161(2) . . . . ? C26 Si6 C26' C30' 140(16) . . . . ? C30' C26' C27' C28' -16(3) . . . . ? Si6 C26' C27' C28' -156(2) . . . . ? C26' C27' C28' C29' 23(3) . . . . ? C27' C28' C29' C30' -21(3) . . . . ? C28' C29' C30' C26' 11(3) . . . . ? C27' C26' C30' C29' 4(4) . . . . ? Si6 C26' C30' C29' 145(2) . . . . ? O12 Si7 C31 C35 -84.5(18) . . . . ? O10 Si7 C31 C35 157.8(17) . . . . ? O9 Si7 C31 C35 39(2) . . . . ? C31' Si7 C31 C35 -14(9) . . . . ? O12 Si7 C31 C32 45(2) . . . . ? O10 Si7 C31 C32 -73(2) . . . . ? O9 Si7 C31 C32 167.8(15) . . . . ? C31' Si7 C31 C32 116(11) . . . . ? C35 C31 C32 C33 -20(3) . . . . ? Si7 C31 C32 C33 -156(2) . . . . ? C31 C32 C33 C34 7(3) . . . . ? C32 C33 C34 C35 9(3) . . . . ? C33 C34 C35 C31 -22(3) . . . . ? C32 C31 C35 C34 26(3) . . . . ? Si7 C31 C35 C34 159(2) . . . . ? O12 Si7 C31' C35' -57(2) . . . . ? O10 Si7 C31' C35' -178.3(19) . . . . ? O9 Si7 C31' C35' 60(3) . . . . ? C31 Si7 C31' C35' -169(12) . . . . ? O12 Si7 C31' C32' 85(2) . . . . ? O10 Si7 C31' C32' -36(3) . . . . ? O9 Si7 C31' C32' -158(2) . . . . ? C31 Si7 C31' C32' -27(9) . . . . ? C35' C31' C32' C33' -17(3) . . . . ? Si7 C31' C32' C33' -163(2) . . . . ? C31' C32' C33' C34' 16(3) . . . . ? C32' C33' C34' C35' -9(4) . . . . ? C33' C34' C35' C31' -1(3) . . . . ? C32' C31' C35' C34' 11(3) . . . . ? Si7 C31' C35' C34' 158(2) . . . . ? Si7 O12 Si8 C38 -4(3) . . . . ? Si8' O12 Si8 C38 -82(3) . . . . ? Si7 O12 Si8 C37 119(3) . . . . ? Si8' O12 Si8 C37 41(3) . . . . ? Si7 O12 Si8 C36 -123(3) . . . . ? Si8' O12 Si8 C36 159(3) . . . . ? Si7 O12 Si8' C38' -62.5(19) . . . . ? Si8 O12 Si8' C38' 88(3) . . . . ? Si7 O12 Si8' C36' 171.7(15) . . . . ? Si8 O12 Si8' C36' -38(3) . . . . ? Si7 O12 Si8' C37' 54.9(19) . . . . ? Si8 O12 Si8' C37' -154(3) . . . . ? C46 C39 C40 C41 91.4(9) . . . . ? C46 C39 C40 Pt1 10.9(9) . . . . ? O1 Pt1 C40 C41 83.9(5) . . . . ? O11 Pt1 C40 C41 -178.1(6) . . . . ? C44 Pt1 C40 C41 -76.9(5) . . . . ? C45 Pt1 C40 C41 -113.6(5) . . . . ? O1 Pt1 C40 C39 -158.2(6) . . . . ? O11 Pt1 C40 C39 -60.1(10) . . . . ? C44 Pt1 C40 C39 41.1(6) . . . . ? C41 Pt1 C40 C39 117.9(8) . . . . ? C45 Pt1 C40 C39 4.4(6) . . . . ? C39 C40 C41 C42 -3.5(12) . . . . ? Pt1 C40 C41 C42 101.2(8) . . . . ? C39 C40 C41 Pt1 -104.6(7) . . . . ? O1 Pt1 C41 C40 -96.3(5) . . . . ? O11 Pt1 C41 C40 178.0(6) . . . . ? C44 Pt1 C41 C40 100.8(5) . . . . ? C45 Pt1 C41 C40 66.0(5) . . . . ? O1 Pt1 C41 C42 141.2(6) . . . . ? O11 Pt1 C41 C42 55.5(10) . . . . ? C44 Pt1 C41 C42 -21.7(6) . . . . ? C40 Pt1 C41 C42 -122.5(8) . . . . ? C45 Pt1 C41 C42 -56.5(6) . . . . ? C40 C41 C42 C43 -48.6(11) . . . . ? Pt1 C41 C42 C43 32.3(9) . . . . ? C41 C42 C43 C44 -26.6(11) . . . . ? C42 C43 C44 C45 90.0(10) . . . . ? C42 C43 C44 Pt1 7.3(9) . . . . ? O1 Pt1 C44 C45 -174.1(6) . . . . ? O11 Pt1 C44 C45 85.8(5) . . . . ? C41 Pt1 C44 C45 -112.4(5) . . . . ? C40 Pt1 C44 C45 -75.3(5) . . . . ? O1 Pt1 C44 C43 -53.9(11) . . . . ? O11 Pt1 C44 C43 -154.0(6) . . . . ? C41 Pt1 C44 C43 7.9(6) . . . . ? C40 Pt1 C44 C43 45.0(6) . . . . ? C45 Pt1 C44 C43 120.3(8) . . . . ? C43 C44 C45 C46 -2.8(12) . . . . ? Pt1 C44 C45 C46 102.3(8) . . . . ? C43 C44 C45 Pt1 -105.1(7) . . . . ? O1 Pt1 C45 C44 173.8(7) . . . . ? O11 Pt1 C45 C44 -95.2(5) . . . . ? C41 Pt1 C45 C44 67.6(5) . . . . ? C40 Pt1 C45 C44 102.1(5) . . . . ? O1 Pt1 C45 C46 53.2(11) . . . . ? O11 Pt1 C45 C46 144.1(5) . . . . ? C44 Pt1 C45 C46 -120.7(8) . . . . ? C41 Pt1 C45 C46 -53.1(6) . . . . ? C40 Pt1 C45 C46 -18.5(5) . . . . ? C40 C39 C46 C45 -27.3(10) . . . . ? C44 C45 C46 C39 -49.9(11) . . . . ? Pt1 C45 C46 C39 30.1(8) . . . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 25.01 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 0.892 _refine_diff_density_min -1.057 _refine_diff_density_rms 0.116 data_bj9958 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C84 H156 O24 Pt Si16 Tl2' _chemical_formula_weight 2603.36 _chemical_melting_point ? _chemical_compound_source ? 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' 'O' 'O' 0.0106 0.0060 '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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Tl' 'Tl' -2.8358 9.6688 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 14.613(2) _cell_length_b 19.703(2) _cell_length_c 20.723(2) _cell_angle_alpha 98.04(4) _cell_angle_beta 101.92(4) _cell_angle_gamma 92.99(3) _cell_volume 5760.3(11) _cell_formula_units_Z 2 _cell_measurement_temperature 180(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.23 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.501 _exptl_crystal_density_method ? _exptl_crystal_F_000 2632 _exptl_absorpt_coefficient_mu 4.229 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 180(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24096 _diffrn_reflns_av_R_equivalents 0.0725 _diffrn_reflns_av_sigmaI/netI 0.1003 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.57 _diffrn_reflns_theta_max 22.49 _reflns_number_total 14691 _reflns_number_observed 9904 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 48 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 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 ? _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 14643 _refine_ls_number_parameters 675 _refine_ls_number_restraints 152 _refine_ls_R_factor_all 0.1248 _refine_ls_R_factor_obs 0.0817 _refine_ls_wR_factor_all 0.2465 _refine_ls_wR_factor_obs 0.2119 _refine_ls_goodness_of_fit_all 1.338 _refine_ls_goodness_of_fit_obs 1.465 _refine_ls_restrained_S_all 1.392 _refine_ls_restrained_S_obs 1.461 _refine_ls_shift/esd_max -0.154 _refine_ls_shift/esd_mean 0.004 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Pt1 Pt 0.62871(5) -0.31982(3) 0.48919(3) 0.0634(3) Uani 1 d . . Tl2 Tl 0.81584(5) -0.27903(3) 0.40170(3) 0.0677(3) Uani 1 d . . Tl1 Tl 0.57394(5) -0.21970(3) 0.37826(3) 0.0675(3) Uani 1 d . . Si1 Si 0.9439(4) -0.3236(3) 0.7204(3) 0.084(2) Uani 1 d . . C1 C 1.0444(13) -0.3297(9) 0.7831(9) 0.091(2) Uiso 1 d D . H1A H 1.0881(13) -0.3400(9) 0.7523(9) 0.109 Uiso 1 calc R . C2 C 1.0585(18) -0.3910(10) 0.8159(13) 0.138(2) Uiso 1 d D . H2A H 1.0573(18) -0.4328(10) 0.7830(13) 0.166 Uiso 1 calc R . H2B H 1.0101(18) -0.3980(10) 0.8420(13) 0.166 Uiso 1 calc R . C3 C 1.1568(20) -0.3732(14) 0.8621(14) 0.178(3) Uiso 1 d D . H3A H 1.1533(20) -0.3749(14) 0.9091(14) 0.214 Uiso 1 calc R . H3B H 1.2007(20) -0.4067(14) 0.8494(14) 0.214 Uiso 1 calc R . C4 C 1.1897(16) -0.3035(14) 0.8545(15) 0.178(3) Uiso 1 d D . H4A H 1.2337(16) -0.3056(14) 0.8239(15) 0.214 Uiso 1 calc R . H4B H 1.2224(16) -0.2773(14) 0.8983(15) 0.214 Uiso 1 calc R . C5 C 1.1023(18) -0.2690(10) 0.8257(12) 0.138(2) Uiso 1 d D . H5A H 1.0715(18) -0.2483(10) 0.8611(12) 0.166 Uiso 1 calc R . H5B H 1.1169(18) -0.2336(10) 0.7991(12) 0.166 Uiso 1 calc R . O20 O 0.8586(10) -0.2977(6) 0.7536(6) 0.092(4) Uani 1 d . . Si2 Si 0.8165(6) -0.2393(3) 0.7979(3) 0.094(2) Uani 1 d . . C6 C 0.8516(15) -0.2477(9) 0.8903(8) 0.091(2) Uiso 1 d D . H6A H 0.9197(15) -0.2559(9) 0.9003(8) 0.109 Uiso 1 calc R . C7 C 0.7997(20) -0.3053(10) 0.9079(11) 0.138(2) Uiso 1 d D . H7A H 0.8329(20) -0.3476(10) 0.9028(11) 0.166 Uiso 1 calc R . H7B H 0.7360(20) -0.3139(10) 0.8789(11) 0.166 Uiso 1 calc R . C8 C 0.7942(25) -0.2839(13) 0.9806(13) 0.178(3) Uiso 1 d D . H8A H 0.7295(25) -0.2945(13) 0.9861(13) 0.214 Uiso 1 calc R . H8B H 0.8372(25) -0.3098(13) 1.0097(13) 0.214 Uiso 1 calc R . C9 C 0.8202(25) -0.2116(14) 0.9992(11) 0.178(3) Uiso 1 d D . H9A H 0.8773(25) -0.2032(14) 1.0354(11) 0.214 Uiso 1 calc R . H9B H 0.7689(25) -0.1880(14) 1.0150(11) 0.214 Uiso 1 calc R . C10 C 0.8385(20) -0.1852(10) 0.9372(11) 0.138(2) Uiso 1 d D . H10A H 0.7846(20) -0.1612(10) 0.9167(11) 0.166 Uiso 1 calc R . H10B H 0.8955(20) -0.1527(10) 0.9486(11) 0.166 Uiso 1 calc R . O31 O 0.7077(12) -0.2428(6) 0.7678(7) 0.099(5) Uani 1 d . . O32 O 0.5483(10) -0.2662(6) 0.6747(6) 0.104(5) Uani 1 d D . Si3 Si 0.6118(5) -0.2108(3) 0.7339(3) 0.084(2) Uani 1 d . . C11 C 0.5397(13) -0.1874(10) 0.7933(9) 0.091(2) Uiso 1 d D . H11A H 0.5811(13) -0.1543(10) 0.8300(9) 0.109 Uiso 1 calc R . C12 C 0.5027(17) -0.2401(11) 0.8268(13) 0.138(2) Uiso 1 d D . H12A H 0.5469(17) -0.2439(11) 0.8690(13) 0.166 Uiso 1 calc R . H12B H 0.4927(17) -0.2854(11) 0.7978(13) 0.166 Uiso 1 calc R . C13 C 0.4085(19) -0.2164(15) 0.8407(16) 0.178(3) Uiso 1 d D . H13A H 0.3565(19) -0.2510(15) 0.8171(16) 0.214 Uiso 1 calc R . H13B H 0.4102(19) -0.2113(15) 0.8891(16) 0.214 Uiso 1 calc R . C14 C 0.3936(19) -0.1482(15) 0.8161(15) 0.178(3) Uiso 1 d D . H14A H 0.3273(19) -0.1458(15) 0.7938(15) 0.214 Uiso 1 calc R . H14B H 0.4126(19) -0.1092(15) 0.8531(15) 0.214 Uiso 1 calc R . C15 C 0.4553(17) -0.1487(12) 0.7686(12) 0.138(2) Uiso 1 d D . H15A H 0.4762(17) -0.1010(12) 0.7652(12) 0.166 Uiso 1 calc R . H15B H 0.4212(17) -0.1715(12) 0.7239(12) 0.166 Uiso 1 calc R . O40 O 0.6411(9) -0.1429(5) 0.7051(5) 0.076(3) Uani 1 d . . Si4 Si 0.7018(4) -0.0977(2) 0.6667(2) 0.0637(13) Uani 1 d . . C16 C 0.6374(13) -0.0237(10) 0.6478(9) 0.091(2) Uiso 1 d D . H16A H 0.6780(13) 0.0070(10) 0.6287(9) 0.109 Uiso 1 calc R . C17 C 0.6106(17) 0.0190(13) 0.7068(10) 0.138(2) Uiso 1 d D . H17A H 0.6131(17) -0.0079(13) 0.7440(10) 0.166 Uiso 1 calc R . H17B H 0.6542(17) 0.0610(13) 0.7227(10) 0.166 Uiso 1 calc R . C18 C 0.5128(19) 0.0376(16) 0.6827(14) 0.178(3) Uiso 1 d D . H18A H 0.4731(19) 0.0270(16) 0.7139(14) 0.214 Uiso 1 calc R . H18B H 0.5133(19) 0.0875(16) 0.6804(14) 0.214 Uiso 1 calc R . C19 C 0.4757(16) -0.0014(16) 0.6174(14) 0.178(3) Uiso 1 d D . H19A H 0.4570(16) 0.0306(16) 0.5851(14) 0.214 Uiso 1 calc R . H19B H 0.4191(16) -0.0306(16) 0.6186(14) 0.214 Uiso 1 calc R . C20 C 0.5462(17) -0.0458(13) 0.5946(11) 0.138(2) Uiso 1 d D . H20A H 0.5545(17) -0.0379(13) 0.5500(11) 0.166 Uiso 1 calc R . H20B H 0.5268(17) -0.0951(13) 0.5926(11) 0.166 Uiso 1 calc R . O51 O 0.8045(8) -0.0723(5) 0.7164(5) 0.069(3) Uani 1 d . . O52 O 0.8646(11) -0.1627(6) 0.7930(6) 0.097(4) Uani 1 d . . Si5 Si 0.8951(4) -0.1029(3) 0.7563(2) 0.079(2) Uani 1 d . . C21 C 0.9618(13) -0.0361(10) 0.8180(8) 0.091(2) Uiso 1 d D . H21A H 0.9813(13) -0.0021(10) 0.7908(8) 0.109 Uiso 1 calc R . C22 C 1.0521(16) -0.0525(12) 0.8572(12) 0.138(2) Uiso 1 d D . H22A H 1.0998(16) -0.0564(12) 0.8295(12) 0.166 Uiso 1 calc R . H22B H 1.0446(16) -0.0964(12) 0.8745(12) 0.166 Uiso 1 calc R . C23 C 1.0804(17) 0.0065(15) 0.9136(13) 0.178(3) Uiso 1 d D . H23A H 1.1304(17) 0.0376(15) 0.9050(13) 0.214 Uiso 1 calc R . H23B H 1.1044(17) -0.0107(15) 0.9560(13) 0.214 Uiso 1 calc R . C24 C 0.9940(21) 0.0445(14) 0.9181(13) 0.178(3) Uiso 1 d D . H24A H 1.0039(21) 0.0926(14) 0.9104(13) 0.214 Uiso 1 calc R . H24B H 0.9789(21) 0.0451(14) 0.9626(13) 0.214 Uiso 1 calc R . C25 C 0.9152(15) 0.0051(13) 0.8637(12) 0.138(2) Uiso 1 d D . H25A H 0.8750(15) -0.0248(13) 0.8831(12) 0.166 Uiso 1 calc R . H25B H 0.8758(15) 0.0373(13) 0.8403(12) 0.166 Uiso 1 calc R . O61 O 0.9550(9) -0.1355(6) 0.7034(6) 0.089(4) Uani 1 d . . O62 O 0.9726(8) -0.2679(6) 0.6775(6) 0.076(3) Uani 1 d . . O63 O 0.9064(9) -0.3958(6) 0.6717(6) 0.088(4) Uani 1 d . . Si6 Si 0.9634(4) -0.1967(2) 0.6458(3) 0.0736(14) Uani 1 d . . C26 C 1.0692(12) -0.1794(10) 0.6123(9) 0.091(2) Uiso 1 d D . H26A H 1.0670(12) -0.1317(10) 0.6009(9) 0.109 Uiso 1 calc R . C27 C 1.0736(16) -0.2266(13) 0.5491(10) 0.138(2) Uiso 1 d D . H27A H 1.0379(16) -0.2714(13) 0.5465(10) 0.166 Uiso 1 calc R . H27B H 1.0471(16) -0.2057(13) 0.5093(10) 0.166 Uiso 1 calc R . C28 C 1.1748(19) -0.2360(16) 0.5529(13) 0.178(3) Uiso 1 d D . H28A H 1.1843(19) -0.2857(16) 0.5482(13) 0.214 Uiso 1 calc R . H28B H 1.1951(19) -0.2173(16) 0.5157(13) 0.214 Uiso 1 calc R . C29 C 1.2311(15) -0.2014(17) 0.6156(14) 0.178(3) Uiso 1 d D . H29A H 1.2672(15) -0.1600(17) 0.6088(14) 0.214 Uiso 1 calc R . H29B H 1.2757(15) -0.2324(17) 0.6362(14) 0.214 Uiso 1 calc R . C30 C 1.1612(16) -0.1809(14) 0.6607(10) 0.138(2) Uiso 1 d D . H30A H 1.1561(16) -0.2151(14) 0.6907(10) 0.166 Uiso 1 calc R . H30B H 1.1813(16) -0.1351(14) 0.6880(10) 0.166 Uiso 1 calc R . O71 O 0.8695(9) -0.2059(5) 0.5882(6) 0.083(4) Uani 1 d . . O72 O 0.7169(8) -0.1448(5) 0.6005(5) 0.062(3) Uani 1 d . . O73 O 0.7182(8) -0.2340(5) 0.4932(5) 0.068(3) Uani 1 d . . Si7 Si 0.7773(3) -0.1748(2) 0.5476(2) 0.0554(11) Uani 1 d . . C31 C 0.8151(14) -0.1044(8) 0.5051(9) 0.091(2) Uiso 1 d D . H31A H 0.8508(14) -0.1250(8) 0.4720(9) 0.109 Uiso 1 calc R . C32 C 0.8799(17) -0.0464(12) 0.5527(11) 0.138(2) Uiso 1 d D . H32A H 0.8577(17) -0.0346(12) 0.5945(11) 0.166 Uiso 1 calc R . H32B H 0.9451(17) -0.0596(12) 0.5637(11) 0.166 Uiso 1 calc R . C33 C 0.8738(20) 0.0136(12) 0.5131(15) 0.178(3) Uiso 1 d D . H33A H 0.8921(20) 0.0580(12) 0.5432(15) 0.214 Uiso 1 calc R . H33B H 0.9146(20) 0.0088(12) 0.4804(15) 0.214 Uiso 1 calc R . C34 C 0.7731(21) 0.0086(12) 0.4789(15) 0.178(3) Uiso 1 d D . H34A H 0.7660(21) 0.0254(12) 0.4354(15) 0.214 Uiso 1 calc R . H34B H 0.7368(21) 0.0364(12) 0.5066(15) 0.214 Uiso 1 calc R . C35 C 0.7389(15) -0.0682(12) 0.4688(12) 0.138(2) Uiso 1 d D . H35A H 0.6815(15) -0.0741(12) 0.4864(12) 0.166 Uiso 1 calc R . H35B H 0.7241(15) -0.0873(12) 0.4207(12) 0.166 Uiso 1 calc R . O81 O 0.3193(10) -0.2036(6) 0.2944(6) 0.091(4) Uani 1 d . . O82 O 0.3697(8) -0.3215(6) 0.2425(6) 0.076(3) Uani 1 d . . O83 O 0.4142(9) -0.2080(6) 0.1989(5) 0.075(3) Uani 1 d . . Si8 Si 0.3343(4) -0.2484(2) 0.2240(3) 0.0730(14) Uani 1 d . . C36 C 0.2214(14) -0.2582(9) 0.1660(8) 0.091(2) Uiso 1 d D . H36A H 0.1747(14) -0.2835(9) 0.1850(8) 0.109 Uiso 1 calc R . C37 C 0.1818(20) -0.1897(10) 0.1468(11) 0.138(2) Uiso 1 d D . H37A H 0.1428(20) -0.1709(10) 0.1778(11) 0.166 Uiso 1 calc R . H37B H 0.2334(20) -0.1547(10) 0.1476(11) 0.166 Uiso 1 calc R . C38 C 0.1249(22) -0.2098(14) 0.0788(13) 0.178(3) Uiso 1 d D . H38A H 0.1357(22) -0.1745(14) 0.0509(13) 0.214 Uiso 1 calc R . H38B H 0.0574(22) -0.2131(14) 0.0801(13) 0.214 Uiso 1 calc R . C39 C 0.1507(23) -0.2771(14) 0.0494(11) 0.178(3) Uiso 1 d D . H39A H 0.1733(23) -0.2730(14) 0.0081(11) 0.214 Uiso 1 calc R . H39B H 0.0962(23) -0.3118(14) 0.0385(11) 0.214 Uiso 1 calc R . C40 C 0.2288(19) -0.2973(12) 0.1027(11) 0.138(2) Uiso 1 d D . H40A H 0.2212(19) -0.3472(12) 0.1042(11) 0.166 Uiso 1 calc R . H40B H 0.2909(19) -0.2862(12) 0.0929(11) 0.166 Uiso 1 calc R . O91 O 0.4501(9) -0.3965(5) 0.1589(5) 0.080(3) Uani 1 d . . O92 O 0.5199(7) -0.3760(5) 0.2882(5) 0.062(3) Uani 1 d . . Si9 Si 0.4251(4) -0.3877(2) 0.2315(2) 0.0634(12) Uani 1 d . . C41 C 0.3537(12) -0.4666(10) 0.2359(9) 0.091(2) Uiso 1 d D . H41A H 0.3971(12) -0.5032(10) 0.2460(9) 0.109 Uiso 1 calc R . C42 C 0.3011(17) -0.4560(14) 0.2880(10) 0.138(2) Uiso 1 d D . H42A H 0.3154(17) -0.4087(14) 0.3129(10) 0.166 Uiso 1 calc R . H42B H 0.3165(17) -0.4890(14) 0.3197(10) 0.166 Uiso 1 calc R . C43 C 0.1974(17) -0.4679(17) 0.2518(14) 0.178(3) Uiso 1 d D . H43A H 0.1595(17) -0.4889(17) 0.2794(14) 0.214 Uiso 1 calc R . H43B H 0.1722(17) -0.4240(17) 0.2418(14) 0.214 Uiso 1 calc R . C44 C 0.1959(17) -0.5146(15) 0.1901(13) 0.178(3) Uiso 1 d D . H44A H 0.1395(17) -0.5101(15) 0.1555(13) 0.214 Uiso 1 calc R . H44B H 0.1961(17) -0.5630(15) 0.1981(13) 0.214 Uiso 1 calc R . C45 C 0.2846(17) -0.4925(14) 0.1687(9) 0.138(2) Uiso 1 d D . H45A H 0.2739(17) -0.4553(14) 0.1411(9) 0.166 Uiso 1 calc R . H45B H 0.3080(17) -0.5317(14) 0.1432(9) 0.166 Uiso 1 calc R . O101 O 0.6274(9) -0.3786(6) 0.1469(5) 0.082(4) Uani 1 d . . O102 O 0.5082(9) -0.2820(5) 0.1238(5) 0.075(3) Uani 1 d . . Si10 Si 0.5187(4) -0.3633(2) 0.1169(2) 0.0679(14) Uani 1 d . . C46 C 0.4853(13) -0.4035(10) 0.0285(8) 0.091(2) Uiso 1 d D . H46A H 0.4863(13) -0.4542(10) 0.0285(8) 0.109 Uiso 1 calc R . C47 C 0.3901(14) -0.3928(14) -0.0123(11) 0.138(2) Uiso 1 d D . H47A H 0.3748(14) -0.3446(14) -0.0023(11) 0.166 Uiso 1 calc R . H47B H 0.3404(14) -0.4239(14) -0.0031(11) 0.166 Uiso 1 calc R . C48 C 0.3998(18) -0.4098(18) -0.0842(11) 0.178(3) Uiso 1 d D . H48A H 0.3741(18) -0.4576(18) -0.1029(11) 0.214 Uiso 1 calc R . H48B H 0.3651(18) -0.3783(18) -0.1118(11) 0.214 Uiso 1 calc R . C49 C 0.5018(20) -0.4015(18) -0.0839(11) 0.178(3) Uiso 1 d D . H49A H 0.5147(20) -0.3637(18) -0.1085(11) 0.214 Uiso 1 calc R . H49B H 0.5219(20) -0.4444(18) -0.1057(11) 0.214 Uiso 1 calc R . C50 C 0.5550(14) -0.3848(14) -0.0109(11) 0.138(2) Uiso 1 d D . H50A H 0.6099(14) -0.4123(14) -0.0027(11) 0.166 Uiso 1 calc R . H50B H 0.5768(14) -0.3354(14) 0.0010(11) 0.166 Uiso 1 calc R . O111 O 0.7342(9) -0.2719(5) 0.2209(5) 0.074(3) Uani 1 d . . O112 O 0.6969(8) -0.3821(5) 0.2750(4) 0.060(3) Uani 1 d . . Si11 Si 0.7158(4) -0.3557(2) 0.2080(2) 0.0617(12) Uani 1 d . . C51 C 0.8179(12) -0.3963(10) 0.1874(9) 0.091(2) Uiso 1 d D . H51A H 0.8008(12) -0.4470(10) 0.1769(9) 0.109 Uiso 1 calc R . C52 C 0.8462(16) -0.3748(14) 0.1293(10) 0.138(2) Uiso 1 d D . H52A H 0.8139(16) -0.3342(14) 0.1165(10) 0.166 Uiso 1 calc R . H52B H 0.8316(16) -0.4124(14) 0.0909(10) 0.166 Uiso 1 calc R . C53 C 0.9536(18) -0.3567(17) 0.1522(13) 0.178(3) Uiso 1 d D . H53A H 0.9857(18) -0.3728(17) 0.1160(13) 0.214 Uiso 1 calc R . H53B H 0.9680(18) -0.3064(17) 0.1652(13) 0.214 Uiso 1 calc R . C54 C 0.9841(16) -0.3932(17) 0.2112(13) 0.178(3) Uiso 1 d D . H54A H 0.9908(16) -0.4424(17) 0.1970(13) 0.214 Uiso 1 calc R . H54B H 1.0439(16) -0.3714(17) 0.2401(13) 0.214 Uiso 1 calc R . C55 C 0.9037(17) -0.3838(14) 0.2454(9) 0.138(2) Uiso 1 d D . H55A H 0.9080(17) -0.3367(14) 0.2705(9) 0.166 Uiso 1 calc R . H55B H 0.9017(17) -0.4175(14) 0.2764(9) 0.166 Uiso 1 calc R . O120 O 0.6615(8) -0.3455(5) 0.3932(4) 0.062(3) Uani 1 d . . Si12 Si 0.6246(3) -0.3954(2) 0.3231(2) 0.0540(11) Uani 1 d . . C56 C 0.6190(14) -0.4879(9) 0.3283(9) 0.091(2) Uiso 1 d D . H56A H 0.5669(14) -0.4976(9) 0.3511(9) 0.109 Uiso 1 calc R . C57 C 0.5984(18) -0.5361(12) 0.2612(10) 0.138(2) Uiso 1 d D . H57A H 0.5305(18) -0.5509(12) 0.2473(10) 0.166 Uiso 1 calc R . H57B H 0.6171(18) -0.5124(12) 0.2264(10) 0.166 Uiso 1 calc R . C58 C 0.6534(23) -0.5966(13) 0.2709(12) 0.178(3) Uiso 1 d D . H58A H 0.6104(23) -0.6390(13) 0.2617(12) 0.214 Uiso 1 calc R . H58B H 0.6961(23) -0.6011(13) 0.2395(12) 0.214 Uiso 1 calc R . C59 C 0.7084(22) -0.5878(13) 0.3402(13) 0.178(3) Uiso 1 d D . H59A H 0.7735(22) -0.5998(13) 0.3411(13) 0.214 Uiso 1 calc R . H59B H 0.6796(22) -0.6176(13) 0.3666(13) 0.214 Uiso 1 calc R . C60 C 0.7075(17) -0.5123(12) 0.3685(11) 0.138(2) Uiso 1 d D . H60A H 0.7641(17) -0.4854(12) 0.3636(11) 0.166 Uiso 1 calc R . H60B H 0.7057(17) -0.5070(12) 0.4165(11) 0.166 Uiso 1 calc R . O130 O 0.5952(9) -0.1924(5) 0.2263(5) 0.072(3) Uani 1 d . . Si13 Si 0.5057(4) -0.2070(2) 0.1664(2) 0.0672(13) Uani 1 d . . C61 C 0.5018(14) -0.1434(8) 0.1118(9) 0.091(2) Uiso 0.50 d PD 1 H61A H 0.5595(14) -0.1480(8) 0.0932(9) 0.109 Uiso 0.50 calc PR 1 C62 C 0.5030(18) -0.0695(10) 0.1369(11) 0.138(2) Uiso 0.50 d PD 1 H62A H 0.5638(18) -0.0455(10) 0.1358(11) 0.166 Uiso 0.50 calc PR 1 H62B H 0.4949(18) -0.0629(10) 0.1835(11) 0.166 Uiso 0.50 calc PR 1 C63 C 0.4230(38) -0.0407(18) 0.0923(24) 0.178(3) Uiso 0.50 d PD 1 H63A H 0.4440(38) 0.0040(18) 0.0812(24) 0.214 Uiso 0.50 calc PR 1 H63B H 0.3697(38) -0.0341(18) 0.1146(24) 0.214 Uiso 0.50 calc PR 1 C64 C 0.3946(39) -0.0943(23) 0.0295(19) 0.178(3) Uiso 0.50 d PD 1 H64A H 0.3264(39) -0.0960(23) 0.0107(19) 0.214 Uiso 0.50 calc PR 1 H64B H 0.4289(39) -0.0836(23) -0.0048(19) 0.214 Uiso 0.50 calc PR 1 C65 C 0.4203(31) -0.1609(17) 0.0515(19) 0.138(2) Uiso 0.50 d PD 1 H65A H 0.4392(31) -0.1915(17) 0.0153(19) 0.166 Uiso 0.50 calc PR 1 H65B H 0.3663(31) -0.1844(17) 0.0639(19) 0.166 Uiso 0.50 calc PR 1 C61' C 0.5018(14) -0.1434(8) 0.1118(9) 0.091(2) Uiso 0.50 d PD 2 H61B H 0.4410(45) -0.1551(15) 0.0784(27) 0.109 Uiso 0.50 calc PR 2 C62' C 0.5030(18) -0.0695(10) 0.1369(11) 0.138(2) Uiso 0.50 d PD 2 H62C H 0.5434(45) -0.0578(15) 0.1822(27) 0.166 Uiso 0.50 calc PR 2 H62D H 0.4389(45) -0.0567(15) 0.1384(27) 0.166 Uiso 0.50 calc PR 2 C63' C 0.5432(45) -0.0322(15) 0.0866(27) 0.178(3) Uiso 0.50 d PD 2 H63C H 0.4940(45) -0.0076(15) 0.0612(27) 0.214 Uiso 0.50 calc PR 2 H63D H 0.5958(45) 0.0018(15) 0.1105(27) 0.214 Uiso 0.50 calc PR 2 C64' C 0.5771(44) -0.0857(23) 0.0399(24) 0.178(3) Uiso 0.50 d PD 2 H64C H 0.6409(44) -0.0712(23) 0.0351(24) 0.214 Uiso 0.50 calc PR 2 H64D H 0.5344(44) -0.0931(23) -0.0047(24) 0.214 Uiso 0.50 calc PR 2 C65' C 0.5781(33) -0.1506(18) 0.0708(23) 0.138(2) Uiso 0.50 d PD 2 H65C H 0.6401(33) -0.1539(18) 0.0999(23) 0.166 Uiso 0.50 calc PR 2 H65D H 0.5630(33) -0.1918(18) 0.0360(23) 0.166 Uiso 0.50 calc PR 2 O140 O 0.7126(8) -0.2082(5) 0.3374(5) 0.062(3) Uani 1 d . . Si14 Si 0.7051(4) -0.2024(2) 0.2602(2) 0.0696(14) Uani 1 d . . C66 C 0.7815(13) -0.1291(9) 0.2451(9) 0.091(2) Uiso 1 d D . H66A H 0.7726(13) -0.1308(9) 0.1957(9) 0.109 Uiso 1 calc R . C67 C 0.8845(16) -0.1353(11) 0.2730(13) 0.138(2) Uiso 1 d D . H67A H 0.9200(16) -0.1384(11) 0.2370(13) 0.166 Uiso 1 calc R . H67B H 0.8929(16) -0.1767(11) 0.2949(13) 0.166 Uiso 1 calc R . C68 C 0.9184(17) -0.0701(14) 0.3237(14) 0.178(3) Uiso 1 d D . H68A H 0.9149(17) -0.0781(14) 0.3693(14) 0.214 Uiso 1 calc R . H68B H 0.9839(17) -0.0545(14) 0.3236(14) 0.214 Uiso 1 calc R . C69 C 0.8530(20) -0.0185(11) 0.3009(15) 0.178(3) Uiso 1 d D . H69A H 0.8735(20) 0.0033(11) 0.2655(15) 0.214 Uiso 1 calc R . H69B H 0.8502(20) 0.0177(11) 0.3386(15) 0.214 Uiso 1 calc R . C70 C 0.7586(15) -0.0583(11) 0.2743(13) 0.138(2) Uiso 1 d D . H70A H 0.7197(15) -0.0361(11) 0.2395(13) 0.166 Uiso 1 calc R . H70B H 0.7246(15) -0.0616(11) 0.3106(13) 0.166 Uiso 1 calc R . Si15 Si 0.9143(4) -0.4416(3) 0.6002(3) 0.090(2) Uani 1 d . . C151 C 0.8433(19) -0.5229(12) 0.5890(12) 0.125(3) Uiso 1 d . . H15B H 0.8403(103) -0.5353(47) 0.6328(12) 0.188 Uiso 1 calc R . H15C H 0.8716(68) -0.5590(22) 0.5640(75) 0.188 Uiso 1 calc R . H15D H 0.7797(38) -0.5182(28) 0.5642(77) 0.188 Uiso 1 calc R . C152 C 1.0322(18) -0.4550(13) 0.6033(12) 0.125(3) Uiso 1 d . . H15E H 1.0715(20) -0.4254(65) 0.6421(49) 0.188 Uiso 1 calc R . H15F H 1.0495(37) -0.4439(84) 0.5625(40) 0.188 Uiso 1 calc R . H15G H 1.0420(29) -0.5033(23) 0.6069(86) 0.188 Uiso 1 calc R . C153 C 0.8648(19) -0.3992(13) 0.5300(12) 0.125(3) Uiso 1 d . . H15H H 0.8782(114) -0.3493(14) 0.5426(33) 0.188 Uiso 1 calc R . H15I H 0.7967(26) -0.4104(77) 0.5174(60) 0.188 Uiso 1 calc R . H15J H 0.8928(98) -0.4149(74) 0.4920(33) 0.188 Uiso 1 calc R . Si16 Si 0.2596(5) -0.1988(3) 0.3517(4) 0.107(2) Uani 1 d . . C161 C 0.1653(18) -0.1447(13) 0.3290(12) 0.125(3) Uiso 1 d . . H16B H 0.1093(41) -0.1733(15) 0.3032(75) 0.188 Uiso 1 calc R . H16C H 0.1845(49) -0.1118(60) 0.3020(75) 0.188 Uiso 1 calc R . H16D H 0.1510(85) -0.1196(69) 0.3695(12) 0.188 Uiso 1 calc R . C162 C 0.2175(19) -0.2856(12) 0.3593(12) 0.125(3) Uiso 1 d . . H16E H 0.2080(120) -0.3152(26) 0.3159(23) 0.188 Uiso 1 calc R . H16F H 0.1580(62) -0.2842(17) 0.3740(84) 0.188 Uiso 1 calc R . H16G H 0.2641(56) -0.3041(35) 0.3920(65) 0.188 Uiso 1 calc R . C163 C 0.3403(18) -0.1553(13) 0.4310(11) 0.125(3) Uiso 1 d . . H16H H 0.3756(92) -0.1153(55) 0.4219(20) 0.188 Uiso 1 calc R . H16I H 0.3841(81) -0.1876(31) 0.4486(48) 0.188 Uiso 1 calc R . H16J H 0.3033(20) -0.1401(80) 0.4640(32) 0.188 Uiso 1 calc R . C01 C 0.5355(23) -0.2764(16) 0.5976(13) 0.068(2) Uiso 0.576(14) d PD 3 H01A H 0.5311(23) -0.2312(16) 0.5807(13) 0.081 Uiso 0.576(14) calc PR 3 C02 C 0.6312(23) -0.3091(15) 0.5885(14) 0.068(2) Uiso 0.576(14) d P 3 H02A H 0.6849(23) -0.2751(15) 0.6123(14) 0.081 Uiso 0.576(14) calc PR 3 C03 C 0.6405(25) -0.3732(14) 0.6196(14) 0.068(2) Uiso 0.576(14) d P 3 H03A H 0.6084(25) -0.3704(14) 0.6574(14) 0.081 Uiso 0.576(14) calc PR 3 H03B H 0.7075(25) -0.3795(14) 0.6365(14) 0.081 Uiso 0.576(14) calc PR 3 C04 C 0.5955(13) -0.4330(8) 0.5657(8) 0.068(2) Uiso 0.576(14) d P 3 H04A H 0.6374(13) -0.4709(8) 0.5680(8) 0.081 Uiso 0.576(14) calc PR 3 H04B H 0.5359(13) -0.4498(8) 0.5759(8) 0.081 Uiso 0.576(14) calc PR 3 C05 C 0.5758(12) -0.4182(8) 0.4978(8) 0.068(2) Uiso 0.576(14) d P 3 H05A H 0.5957(12) -0.4548(8) 0.4663(8) 0.081 Uiso 0.576(14) calc PR 3 C06 C 0.5051(12) -0.3849(8) 0.4666(8) 0.068(2) Uiso 0.576(14) d P 3 H06A H 0.4848(12) -0.4031(8) 0.4179(8) 0.081 Uiso 0.576(14) calc PR 3 C07 C 0.4264(12) -0.3521(8) 0.4957(8) 0.068(2) Uiso 0.576(14) d P 3 H07A H 0.4067(12) -0.3140(8) 0.4709(8) 0.081 Uiso 0.576(14) calc PR 3 H07B H 0.3722(12) -0.3870(8) 0.4861(8) 0.081 Uiso 0.576(14) calc PR 3 C08 C 0.4452(22) -0.3254(16) 0.5661(14) 0.068(2) Uiso 0.576(14) d P 3 H08A H 0.4477(22) -0.3651(16) 0.5906(14) 0.081 Uiso 0.576(14) calc PR 3 H08B H 0.3907(22) -0.3006(16) 0.5747(14) 0.081 Uiso 0.576(14) calc PR 3 C01' C 0.5588(30) -0.2771(21) 0.5665(20) 0.068(2) Uiso 0.424(14) d P 4 H01B H 0.5757(30) -0.2264(21) 0.5762(20) 0.081 Uiso 0.424(14) calc PR 4 C02' C 0.5969(31) -0.3043(19) 0.6217(19) 0.068(2) Uiso 0.424(14) d PD 4 H02B H 0.6665(31) -0.2934(19) 0.6343(19) 0.081 Uiso 0.424(14) calc PR 4 C03' C 0.5695(34) -0.3850(19) 0.6197(18) 0.068(2) Uiso 0.424(14) d P 4 H03C H 0.5999(34) -0.3979(19) 0.6630(18) 0.081 Uiso 0.424(14) calc PR 4 H03D H 0.5008(34) -0.3918(19) 0.6154(18) 0.081 Uiso 0.424(14) calc PR 4 C04' C 0.5955(13) -0.4330(8) 0.5657(8) 0.068(2) Uiso 0.424(14) d P 4 H04C H 0.6638(28) -0.4372(21) 0.5787(19) 0.081 Uiso 0.424(14) calc PR 4 H04D H 0.5637(28) -0.4788(21) 0.5649(19) 0.081 Uiso 0.424(14) calc PR 4 C05' C 0.5758(12) -0.4182(8) 0.4978(8) 0.068(2) Uiso 0.424(14) d P 4 H05B H 0.5957(28) -0.4548(21) 0.4663(19) 0.081 Uiso 0.424(14) calc PR 4 C06' C 0.5051(12) -0.3849(8) 0.4666(8) 0.068(2) Uiso 0.424(14) d P 4 H06B H 0.4848(28) -0.4031(21) 0.4179(19) 0.081 Uiso 0.424(14) calc PR 4 C07' C 0.4264(12) -0.3521(8) 0.4957(8) 0.068(2) Uiso 0.424(14) d P 4 H07C H 0.3770(28) -0.3428(21) 0.4583(19) 0.081 Uiso 0.424(14) calc PR 4 H07D H 0.3983(28) -0.3860(21) 0.5186(19) 0.081 Uiso 0.424(14) calc PR 4 C08' C 0.4546(28) -0.2887(21) 0.5424(19) 0.068(2) Uiso 0.424(14) d P 4 H08C H 0.4251(28) -0.2902(21) 0.5812(19) 0.081 Uiso 0.424(14) calc PR 4 H08D H 0.4314(28) -0.2495(21) 0.5204(19) 0.081 Uiso 0.424(14) calc PR 4 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 0.0804(5) 0.0519(4) 0.0532(4) -0.0084(3) 0.0209(3) -0.0207(3) Tl2 0.0574(5) 0.0753(5) 0.0648(4) -0.0045(3) 0.0129(3) -0.0038(3) Tl1 0.0774(5) 0.0552(4) 0.0689(4) 0.0022(3) 0.0185(4) 0.0059(3) Si1 0.087(4) 0.062(3) 0.098(4) 0.019(3) 0.002(3) 0.014(3) O20 0.133(12) 0.070(7) 0.074(7) -0.015(6) 0.040(8) 0.018(8) Si2 0.146(7) 0.071(3) 0.067(3) 0.008(3) 0.031(4) 0.017(4) O31 0.143(15) 0.070(8) 0.107(10) 0.014(7) 0.071(10) 0.019(9) O32 0.125(12) 0.095(9) 0.093(9) -0.022(7) 0.066(9) -0.045(8) Si3 0.116(5) 0.067(3) 0.070(3) -0.007(3) 0.041(3) -0.009(3) O40 0.101(10) 0.065(7) 0.066(7) 0.002(5) 0.033(7) 0.005(7) Si4 0.076(4) 0.045(2) 0.065(3) -0.009(2) 0.016(2) 0.005(2) O51 0.083(9) 0.042(6) 0.067(6) -0.004(5) -0.007(6) 0.004(6) O52 0.136(13) 0.074(8) 0.070(7) 0.005(6) 0.005(8) 0.003(8) Si5 0.090(4) 0.062(3) 0.065(3) -0.014(2) -0.010(3) 0.001(3) O61 0.059(8) 0.079(8) 0.109(9) -0.023(7) -0.004(7) 0.001(6) O62 0.061(8) 0.070(7) 0.098(8) 0.011(6) 0.019(6) 0.014(6) O63 0.089(10) 0.063(7) 0.108(9) -0.008(7) 0.025(8) 0.011(7) Si6 0.059(3) 0.062(3) 0.095(4) 0.010(3) 0.007(3) 0.007(3) O71 0.063(9) 0.058(7) 0.116(9) 0.006(6) 0.000(7) -0.002(6) O72 0.071(8) 0.048(6) 0.067(6) -0.003(5) 0.024(6) 0.002(5) O73 0.088(9) 0.048(6) 0.057(6) -0.008(5) 0.008(6) -0.018(6) Si7 0.062(3) 0.041(2) 0.059(2) 0.000(2) 0.009(2) -0.007(2) O81 0.114(11) 0.071(8) 0.101(9) 0.001(7) 0.060(8) 0.011(7) O82 0.076(9) 0.076(7) 0.091(8) 0.028(6) 0.035(7) 0.029(7) O83 0.082(9) 0.073(7) 0.073(7) 0.010(6) 0.022(6) 0.008(7) Si8 0.071(4) 0.063(3) 0.088(3) 0.016(3) 0.018(3) 0.013(3) O91 0.097(10) 0.060(7) 0.073(7) 0.001(6) 0.006(7) 0.006(7) O92 0.059(8) 0.059(6) 0.061(6) -0.009(5) 0.011(5) 0.006(5) Si9 0.067(3) 0.048(2) 0.071(3) 0.008(2) 0.006(2) 0.003(2) O101 0.101(11) 0.079(8) 0.053(6) -0.009(6) -0.003(6) 0.009(7) O102 0.104(10) 0.043(6) 0.069(7) 0.004(5) 0.004(6) 0.006(6) Si10 0.092(4) 0.056(3) 0.047(2) -0.003(2) 0.002(2) 0.009(3) O111 0.082(9) 0.063(7) 0.072(7) 0.002(5) 0.015(6) -0.006(6) O112 0.072(8) 0.058(6) 0.051(6) -0.001(5) 0.022(5) 0.008(5) Si11 0.071(3) 0.061(3) 0.053(2) -0.002(2) 0.022(2) 0.004(2) O120 0.075(8) 0.057(6) 0.049(5) -0.018(5) 0.024(5) -0.013(5) Si12 0.062(3) 0.046(2) 0.049(2) -0.006(2) 0.010(2) 0.000(2) O130 0.087(10) 0.056(6) 0.067(7) 0.001(5) 0.013(6) -0.005(6) Si13 0.095(4) 0.048(2) 0.060(3) 0.007(2) 0.020(3) 0.005(3) O140 0.079(8) 0.048(6) 0.057(6) 0.004(5) 0.015(6) -0.004(5) Si14 0.083(4) 0.055(3) 0.070(3) 0.003(2) 0.025(3) -0.010(3) Si15 0.087(4) 0.068(3) 0.119(4) 0.011(3) 0.027(4) 0.018(3) Si16 0.117(6) 0.065(3) 0.151(6) -0.006(3) 0.076(5) -0.003(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C02 2.03(3) . ? Pt1 O73 2.065(10) . ? Pt1 C06' 2.09(2) . ? Pt1 C06 2.09(2) . ? Pt1 C05' 2.09(2) . ? Pt1 C05 2.09(2) . ? Pt1 O120 2.140(8) . ? Pt1 C01' 2.17(4) . ? Pt1 Tl1 3.2389(14) . ? Tl2 O140 2.431(10) . ? Tl2 O120 2.509(10) . ? Tl2 O73 2.684(11) . ? Tl2 Tl1 3.7387(13) . ? Tl1 O140 2.364(11) . ? Si1 O62 1.596(12) . ? Si1 O20 1.615(13) . ? Si1 O63 1.623(12) . ? Si1 C1 1.77(2) . ? C1 C2 1.47(2) . ? C1 C5 1.49(2) . ? C2 C3 1.54(2) . ? C3 C4 1.47(2) . ? C4 C5 1.53(2) . ? O20 Si2 1.599(12) . ? Si2 O31 1.58(2) . ? Si2 O52 1.655(14) . ? Si2 C6 1.91(2) . ? C6 C7 1.46(2) . ? C6 C10 1.51(2) . ? C7 C8 1.53(2) . ? C8 C9 1.43(2) . ? C9 C10 1.52(2) . ? O31 Si3 1.63(2) . ? O32 C01 1.55(3) . ? O32 C02' 1.56(3) . ? O32 Si3 1.613(13) . ? Si3 O40 1.612(12) . ? Si3 C11 1.81(2) . ? C11 C12 1.47(2) . ? C11 C15 1.52(2) . ? C12 C13 1.54(2) . ? C13 C14 1.51(2) . ? C14 C15 1.46(2) . ? O40 Si4 1.618(12) . ? Si4 O72 1.607(10) . ? Si4 O51 1.644(12) . ? Si4 C16 1.82(2) . ? C16 C17 1.52(2) . ? C16 C20 1.54(2) . ? C17 C18 1.50(2) . ? C18 C19 1.44(2) . ? C19 C20 1.49(2) . ? O51 Si5 1.604(12) . ? O52 Si5 1.583(14) . ? Si5 O61 1.623(13) . ? Si5 C21 1.79(2) . ? C21 C25 1.46(2) . ? C21 C22 1.48(2) . ? C22 C23 1.50(2) . ? C23 C24 1.51(2) . ? C24 C25 1.52(2) . ? O61 Si6 1.603(12) . ? O62 Si6 1.631(12) . ? O63 Si15 1.651(13) . ? Si6 O71 1.605(13) . ? Si6 C26 1.86(2) . ? C26 C30 1.51(2) . ? C26 C27 1.51(2) . ? C27 C28 1.49(2) . ? C28 C29 1.44(2) . ? C29 C30 1.55(2) . ? O71 Si7 1.632(13) . ? O72 Si7 1.614(10) . ? O73 Si7 1.581(10) . ? Si7 C31 1.86(2) . ? C31 C35 1.48(2) . ? C31 C32 1.54(2) . ? C32 C33 1.53(2) . ? C33 C34 1.49(2) . ? C34 C35 1.54(2) . ? O81 Si16 1.607(12) . ? O81 Si8 1.658(12) . ? O82 Si9 1.583(11) . ? O82 Si8 1.626(11) . ? O83 Si8 1.592(12) . ? O83 Si13 1.616(12) . ? Si8 C36 1.81(2) . ? C36 C40 1.45(2) . ? C36 C37 1.57(2) . ? C37 C38 1.47(2) . ? C38 C39 1.48(2) . ? C39 C40 1.53(2) . ? O91 Si9 1.607(12) . ? O91 Si10 1.626(13) . ? O92 Si9 1.605(11) . ? O92 Si12 1.640(11) . ? Si9 C41 1.85(2) . ? C41 C42 1.45(2) . ? C41 C45 1.54(2) . ? C42 C43 1.54(2) . ? C43 C44 1.46(2) . ? C44 C45 1.52(2) . ? O101 Si11 1.606(12) . ? O101 Si10 1.641(13) . ? O102 Si10 1.606(11) . ? O102 Si13 1.618(11) . ? Si10 C46 1.85(2) . ? C46 C50 1.49(2) . ? C46 C47 1.51(2) . ? C47 C48 1.52(2) . ? C48 C49 1.49(2) . ? C49 C50 1.53(2) . ? O111 Si14 1.616(11) . ? O111 Si11 1.634(11) . ? O112 Si11 1.620(10) . ? O112 Si12 1.631(10) . ? Si11 C51 1.83(2) . ? C51 C52 1.46(2) . ? C51 C55 1.53(2) . ? C52 C53 1.55(2) . ? C53 C54 1.51(2) . ? C54 C55 1.50(2) . ? O120 Si12 1.609(9) . ? Si12 C56 1.84(2) . ? C56 C60 1.53(2) . ? C56 C57 1.53(2) . ? C57 C58 1.49(2) . ? C58 C59 1.47(2) . ? C59 C60 1.52(2) . ? O130 Si13 1.589(12) . ? O130 Si14 1.648(13) . ? Si13 C61' 1.80(2) . ? Si13 C61 1.80(2) . ? C61 C62 1.47(2) . ? C61 C65 1.52(2) . ? C62 C63 1.52(2) . ? C63 C64 1.53(3) . ? C64 C65 1.49(3) . ? C61' C62' 1.47(2) . ? C61' C65' 1.53(2) . ? C62' C63' 1.55(2) . ? C63' C64' 1.50(3) . ? C64' C65' 1.51(3) . ? O140 Si14 1.601(10) . ? Si14 C66 1.88(2) . ? C66 C67 1.52(2) . ? C66 C70 1.53(2) . ? C67 C68 1.53(2) . ? C68 C69 1.49(2) . ? C69 C70 1.51(2) . ? Si15 C152 1.75(3) . ? Si15 C153 1.82(2) . ? Si15 C151 1.82(2) . ? Si16 C161 1.81(2) . ? Si16 C162 1.83(2) . ? Si16 C163 1.88(2) . ? C01 C08 1.56(4) . ? C01 C02 1.61(5) . ? C02 C03 1.50(4) . ? C03 C04 1.52(3) . ? C04 C05 1.45(2) . ? C05 C06 1.35(2) . ? C06 C07 1.53(2) . ? C07 C08 1.44(3) . ? C01' C02' 1.36(6) . ? C01' C08' 1.50(6) . ? C02' C03' 1.61(5) . ? C03' C04' 1.49(4) . ? C04' C05' 1.45(2) . ? C05' C06' 1.35(2) . ? C06' C07' 1.53(2) . ? C07' C08' 1.45(4) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C02 Pt1 O73 96.6(9) . . ? O73 Pt1 C06' 159.5(5) . . ? C02 Pt1 C06 91.7(10) . . ? O73 Pt1 C06 159.5(5) . . ? O73 Pt1 C05' 162.7(6) . . ? C06' Pt1 C05' 37.7(6) . . ? C02 Pt1 C05 78.9(9) . . ? O73 Pt1 C05 162.7(6) . . ? C06 Pt1 C05 37.7(6) . . ? C02 Pt1 O120 163.6(9) . . ? O73 Pt1 O120 82.2(4) . . ? C06' Pt1 O120 95.0(5) . . ? C06 Pt1 O120 95.0(5) . . ? C05' Pt1 O120 97.4(5) . . ? C05 Pt1 O120 97.4(5) . . ? O73 Pt1 C01' 97.1(12) . . ? C06' Pt1 C01' 78.9(12) . . ? C05' Pt1 C01' 88.9(12) . . ? O120 Pt1 C01' 160.7(11) . . ? C02 Pt1 Tl1 132.9(8) . . ? O73 Pt1 Tl1 61.5(3) . . ? C06' Pt1 Tl1 99.3(4) . . ? C06 Pt1 Tl1 99.3(4) . . ? C05' Pt1 Tl1 133.0(5) . . ? C05 Pt1 Tl1 133.0(5) . . ? O120 Pt1 Tl1 60.6(3) . . ? C01' Pt1 Tl1 102.0(11) . . ? O140 Tl2 O120 80.7(3) . . ? O140 Tl2 O73 80.9(3) . . ? O120 Tl2 O73 64.2(3) . . ? O140 Tl2 Tl1 38.1(2) . . ? O120 Tl2 Tl1 50.2(2) . . ? O73 Tl2 Tl1 50.4(2) . . ? O140 Tl1 Pt1 102.8(2) . . ? O140 Tl1 Tl2 39.4(2) . . ? Pt1 Tl1 Tl2 63.43(4) . . ? O62 Si1 O20 109.2(6) . . ? O62 Si1 O63 109.5(7) . . ? O20 Si1 O63 107.5(7) . . ? O62 Si1 C1 106.6(8) . . ? O20 Si1 C1 110.6(9) . . ? O63 Si1 C1 113.4(8) . . ? C2 C1 C5 110.0(13) . . ? C2 C1 Si1 122.4(14) . . ? C5 C1 Si1 123.7(14) . . ? C1 C2 C3 102.6(13) . . ? C4 C3 C2 107.5(14) . . ? C3 C4 C5 106.3(15) . . ? C1 C5 C4 100.0(14) . . ? Si2 O20 Si1 149.3(10) . . ? O31 Si2 O20 107.3(8) . . ? O31 Si2 O52 108.9(8) . . ? O20 Si2 O52 109.8(8) . . ? O31 Si2 C6 115.8(9) . . ? O20 Si2 C6 110.5(8) . . ? O52 Si2 C6 104.5(8) . . ? C7 C6 C10 105.8(13) . . ? C7 C6 Si2 113.1(15) . . ? C10 C6 Si2 114.4(14) . . ? C6 C7 C8 105.8(14) . . ? C9 C8 C7 109.0(14) . . ? C8 C9 C10 106.7(14) . . ? C6 C10 C9 105.9(13) . . ? Si2 O31 Si3 153.5(9) . . ? C01 O32 Si3 132.7(14) . . ? C02' O32 Si3 118.1(18) . . ? O40 Si3 O32 110.4(7) . . ? O40 Si3 O31 108.2(7) . . ? O32 Si3 O31 110.8(8) . . ? O40 Si3 C11 108.7(8) . . ? O32 Si3 C11 106.7(8) . . ? O31 Si3 C11 112.1(8) . . ? C12 C11 C15 104.4(13) . . ? C12 C11 Si3 120.0(15) . . ? C15 C11 Si3 115.8(14) . . ? C11 C12 C13 106.0(13) . . ? C14 C13 C12 108.2(14) . . ? C15 C14 C13 102.1(14) . . ? C14 C15 C11 108.4(14) . . ? Si3 O40 Si4 155.1(8) . . ? O72 Si4 O40 109.0(6) . . ? O72 Si4 O51 109.3(6) . . ? O40 Si4 O51 108.7(6) . . ? O72 Si4 C16 112.2(7) . . ? O40 Si4 C16 107.4(8) . . ? O51 Si4 C16 110.2(7) . . ? C17 C16 C20 107.2(13) . . ? C17 C16 Si4 115.5(14) . . ? C20 C16 Si4 111.1(15) . . ? C18 C17 C16 106.5(13) . . ? C19 C18 C17 108.4(14) . . ? C18 C19 C20 111.5(15) . . ? C19 C20 C16 104.3(13) . . ? Si5 O51 Si4 140.7(7) . . ? Si5 O52 Si2 155.6(8) . . ? O52 Si5 O51 110.4(8) . . ? O52 Si5 O61 107.7(7) . . ? O51 Si5 O61 108.9(7) . . ? O52 Si5 C21 108.2(8) . . ? O51 Si5 C21 109.0(7) . . ? O61 Si5 C21 112.6(8) . . ? C25 C21 C22 107.7(13) . . ? C25 C21 Si5 119.7(15) . . ? C22 C21 Si5 117.5(14) . . ? C21 C22 C23 105.1(13) . . ? C22 C23 C24 107.3(14) . . ? C23 C24 C25 105.6(14) . . ? C21 C25 C24 105.5(14) . . ? Si6 O61 Si5 147.8(9) . . ? Si1 O62 Si6 154.6(8) . . ? Si1 O63 Si15 142.7(9) . . ? O61 Si6 O71 109.3(7) . . ? O61 Si6 O62 108.6(7) . . ? O71 Si6 O62 108.0(6) . . ? O61 Si6 C26 110.5(8) . . ? O71 Si6 C26 111.5(8) . . ? O62 Si6 C26 108.8(8) . . ? C30 C26 C27 106.8(13) . . ? C30 C26 Si6 114.8(14) . . ? C27 C26 Si6 114.6(15) . . ? C28 C27 C26 105.8(13) . . ? C29 C28 C27 110.9(14) . . ? C28 C29 C30 106.1(15) . . ? C26 C30 C29 104.3(13) . . ? Si6 O71 Si7 150.6(8) . . ? Si4 O72 Si7 154.5(8) . . ? Si7 O73 Pt1 138.4(6) . . ? Si7 O73 Tl2 111.1(6) . . ? Pt1 O73 Tl2 101.3(4) . . ? O73 Si7 O72 111.3(6) . . ? O73 Si7 O71 108.9(6) . . ? O72 Si7 O71 108.2(6) . . ? O73 Si7 C31 109.1(7) . . ? O72 Si7 C31 109.7(7) . . ? O71 Si7 C31 109.6(8) . . ? C35 C31 C32 104.0(12) . . ? C35 C31 Si7 116.1(15) . . ? C32 C31 Si7 113.6(14) . . ? C33 C32 C31 103.6(14) . . ? C34 C33 C32 103.6(15) . . ? C33 C34 C35 105.8(14) . . ? C31 C35 C34 107.9(13) . . ? Si16 O81 Si8 145.6(9) . . ? Si9 O82 Si8 152.8(8) . . ? Si8 O83 Si13 151.0(8) . . ? O83 Si8 O82 109.4(6) . . ? O83 Si8 O81 108.4(6) . . ? O82 Si8 O81 106.3(6) . . ? O83 Si8 C36 113.3(8) . . ? O82 Si8 C36 112.5(8) . . ? O81 Si8 C36 106.6(8) . . ? C40 C36 C37 104.1(12) . . ? C40 C36 Si8 109.9(15) . . ? C37 C36 Si8 115.4(15) . . ? C38 C37 C36 104.1(13) . . ? C37 C38 C39 109.6(14) . . ? C38 C39 C40 105.4(14) . . ? C36 C40 C39 106.9(14) . . ? Si9 O91 Si10 141.7(8) . . ? Si9 O92 Si12 153.4(6) . . ? O82 Si9 O92 106.6(6) . . ? O82 Si9 O91 110.4(6) . . ? O92 Si9 O91 109.8(6) . . ? O82 Si9 C41 111.2(8) . . ? O92 Si9 C41 111.5(7) . . ? O91 Si9 C41 107.3(7) . . ? C42 C41 C45 108.8(13) . . ? C42 C41 Si9 112.0(15) . . ? C45 C41 Si9 111.2(14) . . ? C41 C42 C43 105.3(13) . . ? C44 C43 C42 105.4(15) . . ? C43 C44 C45 104.6(16) . . ? C44 C45 C41 103.0(13) . . ? Si11 O101 Si10 143.5(7) . . ? Si10 O102 Si13 152.9(7) . . ? O102 Si10 O91 108.2(6) . . ? O102 Si10 O101 110.7(7) . . ? O91 Si10 O101 109.2(6) . . ? O102 Si10 C46 110.5(7) . . ? O91 Si10 C46 109.7(8) . . ? O101 Si10 C46 108.5(7) . . ? C50 C46 C47 106.0(13) . . ? C50 C46 Si10 112.8(14) . . ? C47 C46 Si10 119.1(14) . . ? C46 C47 C48 104.3(13) . . ? C49 C48 C47 107.1(14) . . ? C48 C49 C50 107.5(14) . . ? C46 C50 C49 104.8(14) . . ? Si14 O111 Si11 143.4(8) . . ? Si11 O112 Si12 149.0(8) . . ? O101 Si11 O112 110.6(6) . . ? O101 Si11 O111 109.2(6) . . ? O112 Si11 O111 109.7(5) . . ? O101 Si11 C51 108.6(7) . . ? O112 Si11 C51 107.4(7) . . ? O111 Si11 C51 111.2(8) . . ? C52 C51 C55 107.7(13) . . ? C52 C51 Si11 113.8(15) . . ? C55 C51 Si11 112.8(14) . . ? C51 C52 C53 104.6(13) . . ? C54 C53 C52 105.5(15) . . ? C55 C54 C53 101.0(15) . . ? C54 C55 C51 103.1(14) . . ? Si12 O120 Pt1 141.2(6) . . ? Si12 O120 Tl2 113.7(5) . . ? Pt1 O120 Tl2 104.9(4) . . ? O120 Si12 O112 107.9(6) . . ? O120 Si12 O92 109.3(5) . . ? O112 Si12 O92 109.1(5) . . ? O120 Si12 C56 115.1(7) . . ? O112 Si12 C56 106.8(7) . . ? O92 Si12 C56 108.5(7) . . ? C60 C56 C57 104.7(12) . . ? C60 C56 Si12 115.0(15) . . ? C57 C56 Si12 115.6(14) . . ? C58 C57 C56 107.1(13) . . ? C59 C58 C57 109.5(14) . . ? C58 C59 C60 106.1(14) . . ? C59 C60 C56 105.8(14) . . ? Si13 O130 Si14 151.8(7) . . ? O130 Si13 O83 107.2(6) . . ? O130 Si13 O102 109.4(6) . . ? O83 Si13 O102 108.5(7) . . ? O130 Si13 C61' 111.6(8) . . ? O83 Si13 C61' 111.1(8) . . ? O102 Si13 C61' 108.8(7) . . ? O130 Si13 C61 111.6(8) . . ? O83 Si13 C61 111.1(8) . . ? O102 Si13 C61 108.8(7) . . ? C62 C61 C65 107.3(13) . . ? C62 C61 Si13 121.6(14) . . ? C65 C61 Si13 111.4(20) . . ? C61 C62 C63 107.9(14) . . ? C62 C63 C64 105.1(17) . . ? C65 C64 C63 105.3(19) . . ? C64 C65 C61 106.4(17) . . ? C62' C61' C65' 106.6(15) . . ? C62' C61' Si13 121.6(14) . . ? C65' C61' Si13 111.8(18) . . ? C61' C62' C63' 105.1(14) . . ? C64' C63' C62' 107.7(15) . . ? C63' C64' C65' 106.1(17) . . ? C64' C65' C61' 103.9(18) . . ? Si14 O140 Tl1 119.5(6) . . ? Si14 O140 Tl2 125.8(6) . . ? Tl1 O140 Tl2 102.5(3) . . ? O140 Si14 O111 110.8(6) . . ? O140 Si14 O130 108.6(6) . . ? O111 Si14 O130 108.0(6) . . ? O140 Si14 C66 114.2(7) . . ? O111 Si14 C66 106.8(7) . . ? O130 Si14 C66 108.2(7) . . ? C67 C66 C70 107.3(12) . . ? C67 C66 Si14 111.9(14) . . ? C70 C66 Si14 114.2(15) . . ? C66 C67 C68 105.7(13) . . ? C69 C68 C67 104.3(15) . . ? C68 C69 C70 105.5(16) . . ? C69 C70 C66 104.4(14) . . ? O63 Si15 C152 108.3(10) . . ? O63 Si15 C153 111.1(9) . . ? C152 Si15 C153 111.7(12) . . ? O63 Si15 C151 108.5(9) . . ? C152 Si15 C151 111.1(12) . . ? C153 Si15 C151 105.9(12) . . ? O81 Si16 C161 107.7(10) . . ? O81 Si16 C162 108.9(9) . . ? C161 Si16 C162 113.0(12) . . ? O81 Si16 C163 106.9(10) . . ? C161 Si16 C163 108.7(11) . . ? C162 Si16 C163 111.5(11) . . ? O32 C01 C08 108.5(22) . . ? O32 C01 C02 101.1(21) . . ? C08 C01 C02 114.0(24) . . ? C03 C02 C01 110.0(25) . . ? C03 C02 Pt1 116.3(19) . . ? C01 C02 Pt1 105.8(18) . . ? C02 C03 C04 107.2(21) . . ? C05 C04 C03 115.9(16) . . ? C06 C05 C04 129.2(16) . . ? C06 C05 Pt1 71.0(10) . . ? C04 C05 Pt1 113.6(11) . . ? C05 C06 C07 127.9(15) . . ? C05 C06 Pt1 71.3(11) . . ? C07 C06 Pt1 112.2(11) . . ? C08 C07 C06 118.6(18) . . ? C07 C08 C01 119.1(23) . . ? C02' C01' C08' 116.9(37) . . ? C02' C01' Pt1 105.8(27) . . ? C08' C01' Pt1 110.3(26) . . ? C01' C02' O32 101.5(29) . . ? C01' C02' C03' 116.2(36) . . ? O32 C02' C03' 105.4(27) . . ? C04' C03' C02' 116.5(28) . . ? C05' C04' C03' 119.9(20) . . ? C06' C05' C04' 129.2(16) . . ? C06' C05' Pt1 71.0(10) . . ? C04' C05' Pt1 113.6(11) . . ? C05' C06' C07' 127.9(15) . . ? C05' C06' Pt1 71.3(11) . . ? C07' C06' Pt1 112.2(11) . . ? C08' C07' C06' 115.6(21) . . ? C07' C08' C01' 112.3(31) . . ? _refine_diff_density_max 1.745 _refine_diff_density_min -1.113 _refine_diff_density_rms 0.173