Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2007 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Bernard Jousseaume' _publ_contact_author_address ; Institut des Sciences Moleculaires Universite de Bordeaux I 351, Cours de la Liberation Talence ceedex 33405 FRANCE ; _publ_contact_author_email B.JOUSSEAUME@ISM.U-BORDEAUX1.FR _publ_section_title ; Sn3 and Sn10 sulfonate-oxide-hydroxide clusters with two different sulfonate binding modes ; loop_ _publ_author_name 'Bernard Jousseaume' 'Hassan Allouchi' 'Ganesan Prabusankar' 'Thierry Toupance' data_tsa150 _database_code_depnum_ccdc_archive 'CCDC 624646' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C309 H478 O90 S12 Sn20' _chemical_formula_weight 8391.43 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 '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 20.5174(7) _cell_length_b 30.0769(8) _cell_length_c 31.1822(10) _cell_angle_alpha 88.974(2) _cell_angle_beta 84.9620(10) _cell_angle_gamma 85.924(2) _cell_volume 19118.4(10) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.27 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.458 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 8488 _exptl_absorpt_coefficient_mu 1.416 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.7011 _exptl_absorpt_correction_T_max 0.8157 _exptl_absorpt_process_details scalepack _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius Kappa CCD' _diffrn_measurement_method '\f and \w' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 79963 _diffrn_reflns_av_R_equivalents 0.1147 _diffrn_reflns_av_sigmaI/netI 0.1737 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -30 _diffrn_reflns_limit_k_max 30 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 1.83 _diffrn_reflns_theta_max 21.04 _reflns_number_total 40995 _reflns_number_gt 22157 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Kappa-CCD; COLLECT(Nonius, 1998)' _computing_cell_refinement 'DENZO (Otwinowski & Miror, 1997)and COLLECT' _computing_data_reduction 'DENZO and COLLECT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material 'SHELXL-97 (Sheldrick,1997)' _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^)+(0.1001P)^2^+104.4284P] 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 40995 _refine_ls_number_parameters 2384 _refine_ls_number_restraints 198 _refine_ls_R_factor_all 0.1662 _refine_ls_R_factor_gt 0.0808 _refine_ls_wR_factor_ref 0.2300 _refine_ls_wR_factor_gt 0.1876 _refine_ls_goodness_of_fit_ref 1.029 _refine_ls_restrained_S_all 1.309 _refine_ls_shift/su_max 3.281 _refine_ls_shift/su_mean 0.033 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 Sn1_1 Sn 0.80420(8) 0.96698(5) 0.21939(5) 0.0268(4) Uani 1 1 d . . . Sn2_1 Sn 0.51759(8) 1.01941(6) 0.21117(5) 0.0275(4) Uani 1 1 d . . . Sn3_1 Sn 0.74274(8) 0.85236(6) 0.24970(5) 0.0288(5) Uani 1 1 d . . . Sn4_1 Sn 0.62978(8) 0.95847(5) 0.26265(5) 0.0260(4) Uani 1 1 d . . . Sn5_1 Sn 0.69894(8) 1.03789(6) 0.18149(5) 0.0274(4) Uani 1 1 d . . . Sn6_1 Sn 0.76772(8) 0.93249(6) 0.31799(5) 0.0292(5) Uani 1 1 d . . . Sn7_1 Sn 0.82366(8) 0.87087(6) 0.15358(5) 0.0297(5) Uani 1 1 d . . . Sn8_1 Sn 0.89016(8) 1.04718(6) 0.17601(5) 0.0295(5) Uani 1 1 d D . . Sn9_1 Sn 0.49543(8) 1.00452(6) 0.32333(5) 0.0302(5) Uani 1 1 d . . . Sn10_1 Sn 0.58708(8) 1.08845(6) 0.27826(5) 0.0287(5) Uani 1 1 d D . . S1_1 S 0.8200(3) 1.1100(2) 0.2589(2) 0.0359(18) Uani 1 1 d . . . S2_1 S 0.9802(3) 0.8720(2) 0.1783(2) 0.0390(19) Uani 1 1 d . . . O1_1 O 0.9627(8) 0.8493(6) 0.2186(5) 0.046(5) Uani 1 1 d . . . O2_1 O 0.8350(8) 0.8376(5) 0.2106(5) 0.031(4) Uani 1 1 d . . . H2_1 H 0.8723 0.8197 0.2183 0.037 Uiso 1 1 calc R . . O3_1 O 0.9301(8) 0.8645(5) 0.1477(5) 0.037(4) Uani 1 1 d . . . O4_1 O 0.8242(7) 0.9341(5) 0.1644(5) 0.025(4) Uani 1 1 d . . . H4_1 H 0.8357 0.9520 0.1399 0.030 Uiso 1 1 calc R . . O5_1 O 0.9904(8) 0.9187(6) 0.1821(6) 0.049(5) Uani 1 1 d . . . O6_1 O 0.7994(9) 1.0793(6) 0.2934(5) 0.048(5) Uani 1 1 d . . . O7_1 O 0.7176(7) 1.0924(5) 0.1477(5) 0.025(4) Uiso 1 1 d D . . H7_1 H 0.7232 1.0862 0.1214 0.038 Uiso 1 1 calc RD . . O8_1 O 0.8836(7) 1.0014(5) 0.1229(5) 0.030(4) Uani 1 1 d . . . H8_1 H 0.8525 1.0105 0.1085 0.045 Uiso 1 1 calc RD . . O9_1 O 0.5770(7) 1.0192(5) 0.2648(5) 0.029(4) Uani 1 1 d . . . O10_1 O 0.5203(7) 1.0852(5) 0.2287(5) 0.029(4) Uani 1 1 d . . . H10_1 H 0.4961 1.1099 0.2169 0.035 Uiso 1 1 calc R . . O11_1 O 0.7885(7) 0.9115(5) 0.2554(5) 0.030(4) Uani 1 1 d . . . O12_1 O 0.7019(7) 0.9795(5) 0.2170(5) 0.028(4) Uani 1 1 d . . . O13_1 O 0.6048(7) 1.0310(5) 0.1693(5) 0.029(4) Uani 1 1 d D . . H13_1 H 0.5976 1.0332 0.1396 0.034 Uiso 1 1 calc RD . . O14_1 O 0.8067(7) 0.9869(5) 0.2819(4) 0.029(4) Uani 1 1 d . . . H14_1 H 0.8216 1.0136 0.2921 0.035 Uiso 1 1 calc R . . O15_1 O 0.4528(7) 1.0081(5) 0.2649(4) 0.027(4) Uani 1 1 d . . . H15_1 H 0.4074 1.0049 0.2630 0.033 Uiso 1 1 calc R . . O16_1 O 0.5458(7) 0.9461(5) 0.3037(5) 0.030(4) Uani 1 1 d . . . H16_1 H 0.5329 0.9172 0.3120 0.037 Uiso 1 1 calc R . . O17_1 O 0.6862(7) 0.9628(5) 0.3072(5) 0.047(5) Uani 1 1 d . . . H17_1 H 0.6707 0.9844 0.3282 0.056 Uiso 1 1 calc RD . . O18_1 O 0.6440(7) 1.0642(5) 0.3246(5) 0.031(4) Uiso 1 1 d D . . H18A_1 H 0.681(2) 1.067(6) 0.314(4) 0.046 Uiso 1 1 d D . . H18B_1 H 0.626(6) 1.044(4) 0.337(5) 0.046 Uiso 1 1 d D . . O19_1 O 0.7690(8) 1.1284(5) 0.2343(6) 0.043(5) Uani 1 1 d . . . O20_1 O 0.6541(7) 0.8941(5) 0.2615(5) 0.037(4) Uani 1 1 d . . . H20_1 H 0.6170 0.8771 0.2677 0.044 Uiso 1 1 calc RD . . O21_1 O 0.5046(7) 1.0719(5) 0.3204(5) 0.029(4) Uani 1 1 d . . . H21_1 H 0.4756 1.0932 0.3359 0.035 Uiso 1 1 calc RD . . O22_1 O 0.7317(8) 0.8672(5) 0.1858(5) 0.033(4) Uani 1 1 d . . . H_1 H 0.6911 0.8715 0.1733 0.039 Uiso 1 1 calc R . . O23_1 O 0.7964(7) 1.0303(5) 0.1944(4) 0.022(4) Uani 1 1 d D . . O24_1 O 0.7534(8) 0.8641(5) 0.3154(5) 0.033(4) Uani 1 1 d . . . H24_1 H 0.7520 0.8431 0.3386 0.040 Uiso 1 1 calc R . . O25_1 O 0.5646(7) 0.9558(5) 0.2163(5) 0.028(4) Uani 1 1 d . . . H25_1 H 0.5573 0.9303 0.2002 0.033 Uiso 1 1 calc R . . O26_1 O 0.8389(8) 1.1000(5) 0.1422(5) 0.032(4) Uiso 1 1 d D . . H26A_1 H 0.816(8) 1.085(3) 0.128(5) 0.048 Uiso 1 1 d D . . H26B_1 H 0.872(4) 1.094(4) 0.155(4) 0.048 Uiso 1 1 d D . . O27_1 O 0.6677(7) 1.0781(5) 0.2325(5) 0.031(4) Uani 1 1 d . . . H27_1 H 0.6999 1.0984 0.2369 0.037 Uiso 1 1 calc R . . O28_1 O 0.7266(9) 1.0031(5) 0.1233(6) 0.037(5) Uani 1 1 d D . . H28A_1 H 0.725(12) 1.029(2) 0.116(7) 0.045 Uiso 1 1 d D . . H28B_1 H 0.717(12) 0.980(4) 0.113(7) 0.045 Uiso 1 1 d D . . O29_1 O 0.8768(7) 1.0899(5) 0.2300(5) 0.036(4) Uani 1 1 d . . . O30_1 O 0.5678(7) 1.0078(5) 0.3668(5) 0.043(5) Uani 1 1 d . . . H30_1 H 0.5787 0.9820 0.3755 0.065 Uiso 1 1 calc RD . . C1_1 C 0.4602(12) 1.0133(8) 0.1579(8) 0.034(7) Uiso 1 1 d . . . C2_1 C 0.4620(12) 1.0439(8) 0.1238(8) 0.031(6) Uiso 1 1 d . . . C3_1 C 0.4343(13) 1.0345(9) 0.0860(9) 0.044(7) Uiso 1 1 d . . . H3_1 H 0.4375 1.0554 0.0628 0.053 Uiso 1 1 calc R . . C4_1 C 0.4031(13) 0.9972(9) 0.0806(9) 0.041(7) Uiso 1 1 d . . . C5_1 C 0.3996(13) 0.9680(9) 0.1144(8) 0.044(7) Uiso 1 1 d . . . H5_1 H 0.3774 0.9417 0.1117 0.053 Uiso 1 1 calc R . . C6_1 C 0.4279(13) 0.9751(9) 0.1537(9) 0.044(7) Uiso 1 1 d . . . C7_1 C 0.4914(12) 1.0888(8) 0.1253(8) 0.033(6) Uiso 1 1 d . . . H7'_1 H 0.5113 1.0906 0.1533 0.040 Uiso 1 1 calc R . . C8_1 C 0.5443(12) 1.0980(8) 0.0890(8) 0.041(7) Uiso 1 1 d . . . H8A_1 H 0.5628 1.1264 0.0941 0.062 Uiso 1 1 calc R . . H8B_1 H 0.5248 1.0995 0.0614 0.062 Uiso 1 1 calc R . . H8C_1 H 0.5792 1.0740 0.0883 0.062 Uiso 1 1 calc R . . C9_1 C 0.4339(13) 1.1264(8) 0.1246(9) 0.047(8) Uiso 1 1 d . . . H9A_1 H 0.4522 1.1555 0.1198 0.070 Uiso 1 1 calc R . . H9B_1 H 0.4071 1.1264 0.1522 0.070 Uiso 1 1 calc R . . H9C_1 H 0.4065 1.1207 0.1013 0.070 Uiso 1 1 calc R . . C10_1 C 0.3776(12) 0.9859(10) 0.0373(9) 0.068(9) Uiso 1 1 d D . . H10'_1 H 0.3533 0.9582 0.0407 0.081 Uiso 1 1 calc R . . C11_1 C 0.333(2) 1.0238(14) 0.0213(19) 0.20(3) Uiso 1 1 d D . . H11A_1 H 0.3114 1.0138 -0.0032 0.306 Uiso 1 1 calc R . . H11B_1 H 0.3590 1.0490 0.0124 0.306 Uiso 1 1 calc RD . . H11C_1 H 0.2998 1.0332 0.0445 0.306 Uiso 1 1 calc R . . C12_1 C 0.4303(15) 0.9804(11) 0.0008(10) 0.082 Uiso 1 1 d D . . H12A_1 H 0.4733 0.9823 0.0118 0.122 Uiso 1 1 calc RD . . H12B_1 H 0.4236 1.0041 -0.0207 0.122 Uiso 1 1 calc RD . . H12C_1 H 0.4283 0.9514 -0.0125 0.122 Uiso 1 1 calc R . . C13_1 C 0.4175(12) 0.9382(7) 0.1876(8) 0.031(6) Uiso 1 1 d . . . H13'_1 H 0.4405 0.9465 0.2130 0.037 Uiso 1 1 calc R . . C14_1 C 0.3447(13) 0.9388(9) 0.2027(9) 0.055(8) Uiso 1 1 d . . . H14A_1 H 0.3373 0.9143 0.2233 0.083 Uiso 1 1 calc R . . H14B_1 H 0.3195 0.9352 0.1779 0.083 Uiso 1 1 calc R . . H14C_1 H 0.3306 0.9673 0.2165 0.083 Uiso 1 1 calc R . . C15_1 C 0.4444(13) 0.8920(8) 0.1752(9) 0.045(7) Uiso 1 1 d . . . H15A_1 H 0.4397 0.8721 0.2003 0.067 Uiso 1 1 calc R . . H15B_1 H 0.4909 0.8927 0.1650 0.067 Uiso 1 1 calc R . . H15C_1 H 0.4202 0.8813 0.1522 0.067 Uiso 1 1 calc R . . C16_1 C 0.7206(9) 0.7843(8) 0.2533(8) 0.033(6) Uiso 1 1 d D . . C17_1 C 0.6638(10) 0.7704(8) 0.2372(8) 0.035(7) Uiso 1 1 d D . . C18_1 C 0.6510(13) 0.7265(8) 0.2373(8) 0.042(7) Uiso 1 1 d . . . H18_1 H 0.6119 0.7185 0.2262 0.050 Uiso 1 1 calc R . . C19_1 C 0.6935(14) 0.6928(9) 0.2531(9) 0.049(8) Uiso 1 1 d . . . C20_1 C 0.7508(14) 0.7073(9) 0.2716(9) 0.047(8) Uiso 1 1 d . . . H20'_1 H 0.7804 0.6861 0.2841 0.057 Uiso 1 1 calc R . . C21_1 C 0.7622(12) 0.7525(8) 0.2710(8) 0.037(7) Uiso 1 1 d . . . C22_1 C 0.6034(14) 0.7904(9) 0.2168(7) 0.101(12) Uiso 1 1 d D . . H22_1 H 0.6159 0.8220 0.2162 0.121 Uiso 1 1 calc RD . . C23_1 C 0.5880(15) 0.7894(10) 0.1707(7) 0.068(9) Uiso 1 1 d D . . H23A_1 H 0.6285 0.7830 0.1522 0.102 Uiso 1 1 calc R . . H23B_1 H 0.5675 0.8184 0.1625 0.102 Uiso 1 1 calc R . . H23C_1 H 0.5578 0.7661 0.1672 0.102 Uiso 1 1 calc R . . C24_1 C 0.5467(14) 0.7968(8) 0.2504(11) 0.096(12) Uiso 1 1 d D . . H24A_1 H 0.5609 0.8114 0.2754 0.144 Uiso 1 1 calc RD . . H24B_1 H 0.5308 0.7677 0.2591 0.144 Uiso 1 1 calc R . . H24C_1 H 0.5113 0.8154 0.2385 0.144 Uiso 1 1 calc R . . C25_1 C 0.6794(15) 0.6440(9) 0.2526(9) 0.051(8) Uiso 1 1 d . . . H25'_1 H 0.6311 0.6438 0.2605 0.062 Uiso 1 1 calc R . . C26_1 C 0.6892(13) 0.6283(10) 0.2053(9) 0.066(9) Uiso 1 1 d . . . H2'A_1 H 0.6708 0.5993 0.2031 0.099 Uiso 1 1 calc R . . H2'B_1 H 0.7362 0.6255 0.1959 0.099 Uiso 1 1 calc RD . . H2'C_1 H 0.6669 0.6501 0.1868 0.099 Uiso 1 1 calc R . . C27_1 C 0.7102(16) 0.6135(10) 0.2854(10) 0.069(10) Uiso 1 1 d . . . H27A_1 H 0.6930 0.5840 0.2844 0.104 Uiso 1 1 calc RD . . H27B_1 H 0.6996 0.6259 0.3143 0.104 Uiso 1 1 calc RD . . H27C_1 H 0.7579 0.6108 0.2789 0.104 Uiso 1 1 calc RD . . C28_1 C 0.8201(12) 0.7659(8) 0.2939(8) 0.036(7) Uiso 1 1 d . . . H28_1 H 0.8243 0.7985 0.2890 0.043 Uiso 1 1 calc R . . C29_1 C 0.8098(15) 0.7575(10) 0.3420(9) 0.065(9) Uiso 1 1 d . . . H29A_1 H 0.8470 0.7676 0.3559 0.098 Uiso 1 1 calc R . . H29B_1 H 0.8063 0.7256 0.3476 0.098 Uiso 1 1 calc R . . H29C_1 H 0.7693 0.7740 0.3535 0.098 Uiso 1 1 calc R . . C30_1 C 0.8836(15) 0.7414(10) 0.2765(10) 0.065(9) Uiso 1 1 d . . . H30A_1 H 0.9204 0.7595 0.2807 0.098 Uiso 1 1 calc RD . . H30B_1 H 0.8822 0.7361 0.2457 0.098 Uiso 1 1 calc RD . . H30C_1 H 0.8895 0.7128 0.2917 0.098 Uiso 1 1 calc RD . . C31_1 C 0.8223(12) 0.8371(8) 0.0948(8) 0.032(6) Uiso 1 1 d . . . C32_1 C 0.8340(12) 0.8607(8) 0.0556(8) 0.031(6) Uiso 1 1 d . . . C33_1 C 0.8361(13) 0.8375(9) 0.0177(9) 0.048(8) Uiso 1 1 d . . . H33_1 H 0.8464 0.8527 -0.0087 0.058 Uiso 1 1 calc R . . C34_1 C 0.8244(16) 0.7946(11) 0.0165(11) 0.070(10) Uiso 1 1 d . . . C35_1 C 0.8119(15) 0.7693(10) 0.0555(10) 0.062(9) Uiso 1 1 d . . . H35_1 H 0.8041 0.7386 0.0544 0.074 Uiso 1 1 calc R . . C36_1 C 0.8112(12) 0.7909(8) 0.0961(8) 0.032(6) Uiso 1 1 d . . . C37_1 C 0.8468(12) 0.9086(8) 0.0525(8) 0.033(6) Uiso 1 1 d . . . H37_1 H 0.8280 0.9221 0.0804 0.040 Uiso 1 1 calc R . . C38_1 C 0.8128(12) 0.9340(8) 0.0180(8) 0.035(7) Uiso 1 1 d . . . H38A_1 H 0.8190 0.9658 0.0202 0.052 Uiso 1 1 calc R . . H38B_1 H 0.7658 0.9293 0.0215 0.052 Uiso 1 1 calc R . . H38C_1 H 0.8313 0.9233 -0.0104 0.052 Uiso 1 1 calc R . . C39_1 C 0.9214(12) 0.9146(8) 0.0499(8) 0.040(7) Uiso 1 1 d . . . H39A_1 H 0.9399 0.9007 0.0753 0.060 Uiso 1 1 calc R . . H39B_1 H 0.9288 0.9464 0.0490 0.060 Uiso 1 1 calc R . . H39C_1 H 0.9428 0.9004 0.0238 0.060 Uiso 1 1 calc R . . C40_1 C 0.8203(14) 0.7666(13) -0.0273(12) 0.110(14) Uiso 1 1 d D . . H40_1 H 0.8480 0.7412 -0.0158 0.132 Uiso 1 1 calc R . . C41_1 C 0.7633(19) 0.7380(14) -0.0271(16) 0.146(19) Uiso 1 1 d D . . H41A_1 H 0.7433 0.7348 0.0024 0.219 Uiso 1 1 calc R . . H41B_1 H 0.7786 0.7085 -0.0384 0.219 Uiso 1 1 calc R . . H41C_1 H 0.7307 0.7520 -0.0452 0.219 Uiso 1 1 calc R . . C42_1 C 0.8768(16) 0.7792(12) -0.0579(11) 0.093(12) Uiso 1 1 d D . . H42A_1 H 0.9181 0.7712 -0.0452 0.140 Uiso 1 1 calc R . . H42B_1 H 0.8729 0.8114 -0.0635 0.140 Uiso 1 1 calc R . . H42C_1 H 0.8762 0.7633 -0.0850 0.140 Uiso 1 1 calc R . . C43_1 C 0.7994(13) 0.7642(9) 0.1365(9) 0.043(7) Uiso 1 1 d . . . H43_1 H 0.7789 0.7853 0.1591 0.052 Uiso 1 1 calc R . . C44_1 C 0.8632(14) 0.7449(10) 0.1521(10) 0.063(9) Uiso 1 1 d . . . H44A_1 H 0.8565 0.7373 0.1828 0.095 Uiso 1 1 calc R . . H44B_1 H 0.8963 0.7668 0.1478 0.095 Uiso 1 1 calc R . . H44C_1 H 0.8782 0.7179 0.1359 0.095 Uiso 1 1 calc R . . C45_1 C 0.7530(15) 0.7277(10) 0.1336(10) 0.070(10) Uiso 1 1 d . . . H45A_1 H 0.7428 0.7149 0.1623 0.105 Uiso 1 1 calc R . . H45B_1 H 0.7736 0.7045 0.1143 0.105 Uiso 1 1 calc R . . H45C_1 H 0.7124 0.7403 0.1223 0.105 Uiso 1 1 calc R . . C46_1 C 0.4277(12) 0.9833(8) 0.3737(8) 0.030(6) Uiso 1 1 d . . . C47_1 C 0.3980(12) 0.9426(8) 0.3685(8) 0.034(7) Uiso 1 1 d . . . C48_1 C 0.3727(13) 0.9194(9) 0.4039(9) 0.050(8) Uiso 1 1 d . . . H48_1 H 0.3519 0.8927 0.4000 0.060 Uiso 1 1 calc R . . C49_1 C 0.3775(14) 0.9349(9) 0.4463(9) 0.052(8) Uiso 1 1 d . . . C50_1 C 0.4010(13) 0.9756(8) 0.4507(9) 0.043(7) Uiso 1 1 d . . . H50_1 H 0.3999 0.9877 0.4787 0.051 Uiso 1 1 calc R . . C51_1 C 0.4269(12) 1.0004(8) 0.4153(8) 0.036(7) Uiso 1 1 d . . . C52_1 C 0.3859(12) 0.9254(7) 0.3231(9) 0.052(8) Uiso 1 1 d D . . H52_1 H 0.4154 0.9415 0.3018 0.063 Uiso 1 1 calc R . . C53_1 C 0.404(2) 0.8766(7) 0.3165(11) 0.13(2) Uani 1 1 d D . . H53A_1 H 0.4166 0.8712 0.2859 0.196 Uiso 1 1 calc R . . H53B_1 H 0.3662 0.8596 0.3260 0.196 Uiso 1 1 calc R . . H53C_1 H 0.4408 0.8673 0.3333 0.196 Uiso 1 1 calc R . . C54_1 C 0.3171(14) 0.9414(18) 0.3149(14) 0.17(2) Uani 1 1 d D . . H54A_1 H 0.3125 0.9413 0.2839 0.250 Uiso 1 1 calc R . . H54B_1 H 0.3077 0.9718 0.3257 0.250 Uiso 1 1 calc R . . H54C_1 H 0.2863 0.9216 0.3297 0.250 Uiso 1 1 calc R . . C55_1 C 0.3551(12) 0.9069(10) 0.4846(11) 0.067(9) Uiso 1 1 d D . . H55_1 H 0.3635 0.9225 0.5114 0.081 Uiso 1 1 calc R . . C56_1 C 0.2829(12) 0.9016(13) 0.4850(13) 0.104(13) Uiso 1 1 d D . . H56A_1 H 0.2642 0.8979 0.5148 0.156 Uiso 1 1 calc R . . H56B_1 H 0.2758 0.8752 0.4684 0.156 Uiso 1 1 calc R . . H56C_1 H 0.2616 0.9281 0.4721 0.156 Uiso 1 1 calc R . . C57_1 C 0.394(2) 0.8596(11) 0.4838(11) 0.103(14) Uani 1 1 d . . . H57A_1 H 0.4402 0.8631 0.4865 0.154 Uiso 1 1 calc R . . H57B_1 H 0.3887 0.8449 0.4566 0.154 Uiso 1 1 calc R . . H57C_1 H 0.3760 0.8414 0.5079 0.154 Uiso 1 1 calc RD . . C58_1 C 0.4464(10) 1.0464(8) 0.4221(8) 0.039(7) Uiso 1 1 d D . . H58_1 H 0.4723 1.0560 0.3953 0.047 Uiso 1 1 calc R . . C59_1 C 0.3879(12) 1.0790(8) 0.4297(10) 0.060(9) Uiso 1 1 d D . . H59A_1 H 0.4023 1.1094 0.4290 0.089 Uiso 1 1 calc R . . H59B_1 H 0.3650 1.0730 0.4579 0.089 Uiso 1 1 calc R . . H59C_1 H 0.3581 1.0759 0.4072 0.089 Uiso 1 1 calc R . . C60_1 C 0.4908(14) 1.0460(9) 0.4589(9) 0.056(8) Uiso 1 1 d . . . H60A_1 H 0.5080 1.0754 0.4609 0.084 Uiso 1 1 calc R . . H60B_1 H 0.5273 1.0235 0.4534 0.084 Uiso 1 1 calc R . . H60C_1 H 0.4656 1.0389 0.4860 0.084 Uiso 1 1 calc R . . C61_1 C 0.5919(13) 1.1578(9) 0.2876(6) 0.045(7) Uiso 1 1 d D . . C62_1 C 0.6005(13) 1.1884(9) 0.2521(9) 0.045(7) Uiso 1 1 d . . . C63_1 C 0.6142(15) 1.2327(11) 0.2602(11) 0.069(10) Uiso 1 1 d . . . H63_1 H 0.6216 1.2524 0.2364 0.083 Uiso 1 1 calc R . . C64_1 C 0.6174(15) 1.2497(8) 0.3042(7) 0.071(10) Uiso 1 1 d D . . C65_1 C 0.6015(15) 1.2178(6) 0.3360(10) 0.077(10) Uiso 1 1 d D . . H65_1 H 0.5977 1.2277 0.3649 0.092 Uiso 1 1 calc RD . . C66_1 C 0.5906(13) 1.1730(6) 0.3299(5) 0.042(7) Uiso 1 1 d D . . C67_1 C 0.5967(10) 1.1763(9) 0.2053(8) 0.043(7) Uiso 1 1 d D . . H67_1 H 0.5994 1.1430 0.2037 0.052 Uiso 1 1 calc R . . C68_1 C 0.5325(13) 1.1926(9) 0.1916(9) 0.052(8) Uiso 1 1 d . . . H68A_1 H 0.4979 1.1775 0.2085 0.077 Uiso 1 1 calc R . . H68B_1 H 0.5309 1.1863 0.1610 0.077 Uiso 1 1 calc R . . H68C_1 H 0.5259 1.2248 0.1961 0.077 Uiso 1 1 calc R . . C69_1 C 0.6527(11) 1.1923(8) 0.1764(8) 0.042(7) Uiso 1 1 d D . . H69A_1 H 0.6942 1.1796 0.1861 0.063 Uiso 1 1 calc R . . H69B_1 H 0.6516 1.2249 0.1773 0.063 Uiso 1 1 calc R . . H69C_1 H 0.6488 1.1830 0.1468 0.063 Uiso 1 1 calc R . . C70_1 C 0.6437(12) 1.2941(7) 0.3107(12) 0.110(14) Uiso 1 1 d D . . H70_1 H 0.6306 1.2993 0.3420 0.132 Uiso 1 1 calc RD . . C71_1 C 0.7170(12) 1.2932(17) 0.3092(15) 0.15(2) Uani 1 1 d D . . H71A_1 H 0.7334 1.2677 0.3262 0.226 Uiso 1 1 calc R . . H71B_1 H 0.7298 1.3209 0.3211 0.226 Uiso 1 1 calc R . . H71C_1 H 0.7357 1.2904 0.2793 0.226 Uiso 1 1 calc R . . C72_1 C 0.6017(19) 1.3298(12) 0.2899(13) 0.126(16) Uiso 1 1 d D . . H72A_1 H 0.6039 1.3581 0.3046 0.189 Uiso 1 1 calc R . . H72B_1 H 0.5562 1.3214 0.2919 0.189 Uiso 1 1 calc R . . H72C_1 H 0.6177 1.3330 0.2595 0.189 Uiso 1 1 calc R . . C73_1 C 0.5814(7) 1.1482(7) 0.3718(5) 0.046(7) Uiso 1 1 d D . . H73_1 H 0.5712 1.1175 0.3640 0.055 Uiso 1 1 calc RD . . C74_1 C 0.5216(12) 1.1666(10) 0.3986(9) 0.068(9) Uiso 1 1 d D . . H74A_1 H 0.5157 1.1490 0.4252 0.102 Uiso 1 1 calc R . . H74B_1 H 0.4830 1.1652 0.3824 0.102 Uiso 1 1 calc R . . H74C_1 H 0.5270 1.1977 0.4057 0.102 Uiso 1 1 calc R . . C75_1 C 0.6415(11) 1.1417(11) 0.3960(10) 0.080(11) Uiso 1 1 d D . . H75A_1 H 0.6291 1.1320 0.4256 0.120 Uiso 1 1 calc RD . . H75B_1 H 0.6626 1.1699 0.3965 0.120 Uiso 1 1 calc R . . H75C_1 H 0.6721 1.1190 0.3817 0.120 Uiso 1 1 calc RD . . C76_1 C 0.8216(11) 0.9310(7) 0.3730(7) 0.025(6) Uiso 1 1 d . . . C77_1 C 0.7967(10) 0.9499(8) 0.4103(8) 0.035(7) Uiso 1 1 d D . . C78_1 C 0.8302(16) 0.9468(10) 0.4468(11) 0.069(10) Uiso 1 1 d . . . H78_1 H 0.8128 0.9626 0.4719 0.083 Uiso 1 1 calc R . . C79_1 C 0.8883(16) 0.9214(12) 0.4475(11) 0.083(11) Uiso 1 1 d D . . C80_1 C 0.9104(19) 0.9000(12) 0.4105(12) 0.088(12) Uiso 1 1 d . . . H80_1 H 0.9479 0.8795 0.4109 0.106 Uiso 1 1 calc R . . C81_1 C 0.8807(14) 0.9064(9) 0.3711(9) 0.047(8) Uiso 1 1 d . . . C82_1 C 0.7334(12) 0.9772(10) 0.4208(6) 0.074(10) Uiso 1 1 d D . . H82_1 H 0.7098 0.9680 0.3961 0.089 Uiso 1 1 calc RD . . C83_1 C 0.7410(17) 1.0260(11) 0.4070(11) 0.081(11) Uiso 1 1 d . . . H83A_1 H 0.6975 1.0418 0.4068 0.122 Uiso 1 1 calc R . . H83B_1 H 0.7638 1.0271 0.3781 0.122 Uiso 1 1 calc R . . H83C_1 H 0.7665 1.0404 0.4273 0.122 Uiso 1 1 calc R . . C84_1 C 0.6829(18) 0.9696(12) 0.4549(12) 0.096(12) Uiso 1 1 d . . . H84A_1 H 0.6420 0.9862 0.4486 0.143 Uiso 1 1 calc R . . H84B_1 H 0.6964 0.9796 0.4823 0.143 Uiso 1 1 calc R . . H84C_1 H 0.6760 0.9376 0.4570 0.143 Uiso 1 1 calc R . . C85_1 C 0.9223(12) 0.9259(9) 0.4877(11) 0.132(17) Uiso 1 1 d D . . H85_1 H 0.9059 0.9528 0.5049 0.159 Uiso 1 1 calc R . . C86_1 C 0.9956(13) 0.9213(11) 0.4791(11) 0.084 Uiso 1 1 d D . . H86A_1 H 1.0090 0.8922 0.4664 0.126 Uiso 1 1 calc R . . H86B_1 H 1.0157 0.9238 0.5063 0.126 Uiso 1 1 calc R . . H86C_1 H 1.0099 0.9450 0.4592 0.126 Uiso 1 1 calc R . . C87_1 C 0.9045(16) 0.8828(9) 0.5089(10) 0.070 Uiso 1 1 d D . . H87A_1 H 0.9053 0.8852 0.5401 0.105 Uiso 1 1 calc R . . H87B_1 H 0.9362 0.8587 0.4983 0.105 Uiso 1 1 calc R . . H87C_1 H 0.8604 0.8763 0.5021 0.105 Uiso 1 1 calc R . . C88_1 C 0.9135(15) 0.8879(9) 0.3274(9) 0.053(8) Uiso 1 1 d . . . H88_1 H 0.8784 0.8825 0.3083 0.064 Uiso 1 1 calc R . . C89_1 C 0.9572(14) 0.8427(9) 0.3326(9) 0.057(8) Uiso 1 1 d . . . H89A_1 H 0.9724 0.8309 0.3041 0.086 Uiso 1 1 calc R . . H89B_1 H 0.9310 0.8209 0.3487 0.086 Uiso 1 1 calc R . . H89C_1 H 0.9951 0.8483 0.3483 0.086 Uiso 1 1 calc R . . C90_1 C 0.9575(14) 0.9220(9) 0.3056(10) 0.058(9) Uani 1 1 d . . . H90A_1 H 0.9725 0.9123 0.2764 0.087 Uiso 1 1 calc R . . H90B_1 H 0.9954 0.9247 0.3222 0.087 Uiso 1 1 calc R . . H90C_1 H 0.9326 0.9510 0.3043 0.087 Uiso 1 1 calc R . . C91_1 C 0.9918(12) 1.0608(8) 0.1637(8) 0.030(6) Uiso 1 1 d . . . C92_1 C 1.0188(12) 1.0696(8) 0.1218(8) 0.032(6) Uiso 1 1 d . . . C93_1 C 1.0870(13) 1.0794(8) 0.1151(9) 0.042(7) Uiso 1 1 d . . . H93_1 H 1.1056 1.0868 0.0872 0.051 Uiso 1 1 calc R . . C94_1 C 1.1248(14) 1.0779(9) 0.1498(9) 0.045(7) Uiso 1 1 d . . . C95_1 C 1.0959(13) 1.0676(8) 0.1899(9) 0.045(7) Uiso 1 1 d . . . H95_1 H 1.1224 1.0673 0.2135 0.054 Uiso 1 1 calc R . . C96_1 C 1.0333(12) 1.0580(8) 0.1983(8) 0.035(7) Uiso 1 1 d . . . C97_1 C 0.9805(12) 1.0732(7) 0.0831(7) 0.026(6) Uiso 1 1 d . . . H97_1 H 0.9339 1.0685 0.0932 0.031 Uiso 1 1 calc RD . . C98_1 C 1.0034(13) 1.0365(8) 0.0507(8) 0.045(7) Uiso 1 1 d . . . H98A_1 H 0.9737 1.0372 0.0277 0.067 Uiso 1 1 calc R . . H98B_1 H 1.0033 1.0074 0.0654 0.067 Uiso 1 1 calc R . . H98C_1 H 1.0479 1.0414 0.0383 0.067 Uiso 1 1 calc R . . C99_1 C 0.9809(13) 1.1188(8) 0.0606(8) 0.038(7) Uiso 1 1 d . . . H99A_1 H 0.9578 1.1180 0.0344 0.058 Uiso 1 1 calc R . . H99B_1 H 1.0263 1.1261 0.0530 0.058 Uiso 1 1 calc R . . H99C_1 H 0.9587 1.1415 0.0800 0.058 Uiso 1 1 calc R . . C100_1 C 1.1967(15) 1.0878(10) 0.1441(10) 0.058(9) Uiso 1 1 d . . . H100_1 H 1.2029 1.1118 0.1648 0.069 Uiso 1 1 calc R . . C101_1 C 1.2448(18) 1.0483(12) 0.1535(14) 0.111(15) Uani 1 1 d . . . H01A_1 H 1.2861 1.0509 0.1356 0.167 Uiso 1 1 calc R . . H01B_1 H 1.2259 1.0204 0.1470 0.167 Uiso 1 1 calc R . . H01C_1 H 1.2531 1.0483 0.1840 0.167 Uiso 1 1 calc R . . C102_1 C 1.224(2) 1.1031(13) 0.1001(13) 0.111(14) Uiso 1 1 d . . . H02A_1 H 1.2707 1.1067 0.1002 0.167 Uiso 1 1 calc R . . H02B_1 H 1.2010 1.1316 0.0927 0.167 Uiso 1 1 calc R . . H02C_1 H 1.2167 1.0808 0.0787 0.167 Uiso 1 1 calc R . . C103_1 C 1.0106(14) 1.0474(8) 0.2451(8) 0.042(7) Uiso 1 1 d . . . H103_1 H 0.9636 1.0403 0.2467 0.051 Uiso 1 1 calc R . . C104_1 C 1.0164(14) 1.0859(9) 0.2735(9) 0.055(8) Uiso 1 1 d . . . H04A_1 H 0.9982 1.0790 0.3028 0.082 Uiso 1 1 calc R . . H04B_1 H 0.9920 1.1123 0.2625 0.082 Uiso 1 1 calc R . . H04C_1 H 1.0627 1.0918 0.2739 0.082 Uiso 1 1 calc R . . C105_1 C 1.0516(15) 1.0056(10) 0.2580(10) 0.064(9) Uani 1 1 d . . . H05A_1 H 1.0443 0.9809 0.2393 0.096 Uiso 1 1 calc R . . H05B_1 H 1.0387 0.9977 0.2880 0.096 Uiso 1 1 calc R . . H05C_1 H 1.0982 1.0115 0.2550 0.096 Uiso 1 1 calc R . . C106_1 C 0.8527(12) 1.1562(8) 0.2806(7) 0.037(7) Uiso 1 1 d D . . C107_1 C 0.8875(13) 1.1839(9) 0.2557(9) 0.048(8) Uiso 1 1 d . . . H107_1 H 0.8954 1.1779 0.2258 0.058 Uiso 1 1 calc RD . . C108_1 C 0.9135(14) 1.2223(10) 0.2723(10) 0.058(9) Uiso 1 1 d . . . H108_1 H 0.9381 1.2414 0.2537 0.070 Uiso 1 1 calc R . . C109_1 C 0.9029(15) 1.2310(10) 0.3145(10) 0.057(8) Uiso 1 1 d . . . C110_1 C 0.8670(15) 1.2021(9) 0.3401(11) 0.077(10) Uiso 1 1 d D . . H110_1 H 0.8586 1.2086 0.3698 0.092 Uiso 1 1 calc R . . C111_1 C 0.8421(15) 1.1637(9) 0.3250(7) 0.072(10) Uiso 1 1 d D . . H111_1 H 0.8193 1.1438 0.3438 0.087 Uiso 1 1 calc R . . C112_1 C 0.9250(16) 1.2719(10) 0.3342(11) 0.078(10) Uiso 1 1 d . . . H12D_1 H 0.9417 1.2640 0.3620 0.117 Uiso 1 1 calc R . . H12E_1 H 0.8879 1.2942 0.3384 0.117 Uiso 1 1 calc R . . H12F_1 H 0.9599 1.2841 0.3150 0.117 Uiso 1 1 calc R . . C113_1 C 1.0522(12) 0.8456(8) 0.1541(8) 0.032(6) Uiso 1 1 d . . . C114_1 C 1.0890(13) 0.8147(8) 0.1758(9) 0.045(7) Uiso 1 1 d . . . H114_1 H 1.0749 0.8062 0.2044 0.054 Uiso 1 1 calc R . . C115_1 C 1.1476(13) 0.7957(9) 0.1555(9) 0.047(8) Uiso 1 1 d . . . H115_1 H 1.1754 0.7766 0.1717 0.056 Uiso 1 1 calc R . . C116_1 C 1.1664(14) 0.8037(9) 0.1129(9) 0.050(8) Uiso 1 1 d . . . C117_1 C 1.1267(13) 0.8354(8) 0.0902(9) 0.045(7) Uiso 1 1 d . . . H117_1 H 1.1394 0.8432 0.0612 0.054 Uiso 1 1 calc R . . C118_1 C 1.0697(12) 0.8543(8) 0.1110(8) 0.036(7) Uiso 1 1 d . . . H118_1 H 1.0416 0.8739 0.0954 0.043 Uiso 1 1 calc R . . C119_1 C 1.2292(13) 0.7832(9) 0.0887(9) 0.054(8) Uiso 1 1 d . . . H19A_1 H 1.2364 0.7519 0.0976 0.082 Uiso 1 1 calc R . . H19B_1 H 1.2665 0.7996 0.0953 0.082 Uiso 1 1 calc R . . H19C_1 H 1.2249 0.7848 0.0576 0.082 Uiso 1 1 calc R . . Sn11_2 Sn 1.18203(8) 0.55976(5) 0.24273(5) 0.0267(4) Uani 1 1 d . . . Sn12_2 Sn 1.07397(8) 0.49329(6) 0.29169(5) 0.0288(5) Uani 1 1 d . . . Sn13_2 Sn 1.35103(8) 0.54849(6) 0.27983(5) 0.0300(5) Uani 1 1 d . . . Sn14_2 Sn 1.07084(9) 0.51850(6) 0.18166(5) 0.0311(5) Uani 1 1 d D . . Sn15_2 Sn 1.26829(8) 0.66439(6) 0.26286(6) 0.0301(5) Uani 1 1 d D . . Sn16_2 Sn 1.32438(9) 0.59255(6) 0.18558(5) 0.0313(5) Uani 1 1 d . . . Sn17_2 Sn 1.17113(9) 0.43119(5) 0.21698(5) 0.0298(5) Uani 1 1 d . . . Sn18_2 Sn 1.25459(8) 0.47381(6) 0.31443(5) 0.0288(5) Uani 1 1 d . . . Sn19_2 Sn 1.44665(9) 0.46331(6) 0.31118(6) 0.0390(5) Uani 1 1 d D . . Sn20_2 Sn 1.33605(9) 0.63650(6) 0.35495(6) 0.0361(5) Uani 1 1 d . . . S3_2 S 1.4992(4) 0.6381(3) 0.3270(2) 0.046(2) Uani 1 1 d . . . S4_2 S 1.4022(3) 0.4140(2) 0.2219(2) 0.0406(19) Uani 1 1 d . . . O31_2 O 1.4880(9) 0.6692(6) 0.2919(6) 0.055(5) Uani 1 1 d . . . O32_2 O 1.3728(8) 0.4495(5) 0.1976(5) 0.040(5) Uani 1 1 d . . . O33_2 O 1.3550(8) 0.3884(5) 0.2473(6) 0.042(5) Uani 1 1 d . . . O34_2 O 1.4411(8) 0.6396(6) 0.3598(5) 0.041(5) Uani 1 1 d . . . O35_2 O 1.3523(7) 0.4821(5) 0.2974(5) 0.031(4) Uani 1 1 d . . . O36_2 O 1.1073(7) 0.5576(5) 0.2915(5) 0.026(4) Uani 1 1 d . . . H36_2 H 1.0911 0.5812 0.3102 0.031 Uiso 1 1 calc R . . O37_2 O 1.1440(7) 0.4984(5) 0.2365(5) 0.029(4) Uani 1 1 d . . . O38_2 O 1.4495(7) 0.5273(5) 0.2843(5) 0.035(4) Uani 1 1 d . . . H38_2 H 1.4871 0.5431 0.2760 0.042 Uiso 1 1 calc R . . O39_2 O 1.2419(8) 0.5636(5) 0.1918(4) 0.032(4) Uani 1 1 d . . . H39_2 H 1.2299 0.5498 0.1668 0.039 Uiso 1 1 calc RD . . O40_2 O 1.2919(8) 0.6597(5) 0.1951(5) 0.034(4) Uani 1 1 d . . . H40_2 H 1.2886 0.6828 0.1740 0.040 Uiso 1 1 calc R . . O41_2 O 1.1879(8) 0.6258(5) 0.2491(5) 0.036(4) Uani 1 1 d . . . H41_2 H 1.1482 0.6431 0.2455 0.043 Uiso 1 1 calc RD . . O42_2 O 1.1571(7) 0.4790(5) 0.3302(5) 0.030(4) Uani 1 1 d . . . H42_2 H 1.1450 0.4744 0.3599 0.036 Uiso 1 1 calc R . . O43_2 O 1.3520(7) 0.5751(5) 0.3363(5) 0.034(4) Uani 1 1 d . . . H43_2 H 1.3619 0.5544 0.3586 0.041 Uiso 1 1 calc RD . . O44_2 O 1.4533(8) 0.4294(6) 0.2499(5) 0.044(5) Uani 1 1 d . . . O45_2 O 1.2476(8) 0.6446(5) 0.3266(5) 0.030(4) Uiso 1 1 d . . . H45_2 H 1.2053 0.6400 0.3403 0.036 Uiso 1 1 calc R . . O46_2 O 1.0947(7) 0.4513(5) 0.1779(5) 0.030(4) Uani 1 1 d . . . H46_2 H 1.0740 0.4316 0.1608 0.036 Uiso 1 1 calc R . . O47_2 O 1.1030(7) 0.5754(5) 0.2053(5) 0.030(4) Uani 1 1 d . . . H47_2 H 1.0847 0.6047 0.2001 0.036 Uiso 1 1 calc R . . O48_2 O 1.1597(8) 0.5195(5) 0.1401(5) 0.040(5) Uani 1 1 d D . . H48A_2 H 1.169(4) 0.4925(5) 0.141(4) 0.060 Uiso 1 1 d D . . H48B_2 H 1.140(4) 0.5376(15) 0.125(3) 0.060 Uiso 1 1 d D . . O49_2 O 1.0152(8) 0.5094(5) 0.2404(5) 0.040(5) Uani 1 1 d . . . H49_2 H 0.9686 0.5121 0.2436 0.047 Uiso 1 1 calc R . . O50_2 O 1.5198(9) 0.5925(6) 0.3159(7) 0.066(6) Uani 1 1 d . . . O51_2 O 1.0946(8) 0.4290(5) 0.2656(5) 0.032(4) Uani 1 1 d . . . H51_2 H 1.0726 0.4032 0.2746 0.039 Uiso 1 1 calc RD . . O52_2 O 1.3491(8) 0.6752(5) 0.3012(5) 0.041(5) Uani 1 1 d . . . H52_2 H 1.3836 0.6942 0.2942 0.049 Uiso 1 1 calc R . . O53_2 O 1.4158(9) 0.5003(7) 0.3699(6) 0.065(6) Uani 1 1 d D . . H53A_2 H 1.4540(18) 0.5047(11) 0.373(4) 0.097 Uiso 1 1 d D . . H53B_2 H 1.395(2) 0.4810(19) 0.383(4) 0.097 Uiso 1 1 d D . . O54_2 O 1.2514(7) 0.5348(5) 0.2837(5) 0.029(4) Uani 1 1 d . . . O55_2 O 1.4490(10) 0.4076(8) 0.3414(9) 0.61(9) Uani 1 1 d . . . H55_2 H 1.4168 0.3936 0.3359 0.915 Uiso 1 1 calc RD . . O56_2 O 1.2411(7) 0.4379(5) 0.2623(5) 0.029(4) Uani 1 1 d . . . H56_2 H 1.2780 0.4174 0.2560 0.035 Uiso 1 1 calc R . . O57_2 O 1.3280(7) 0.6073(5) 0.2500(5) 0.028(4) Uani 1 1 d . . . O58_2 O 1.2778(7) 0.4172(5) 0.3448(5) 0.029(4) Uiso 1 1 d . . . H58_2 H 1.3025 0.4005 0.3281 0.044 Uiso 1 1 calc RD . . O59_2 O 1.2651(9) 0.5029(6) 0.3742(5) 0.041(5) Uani 1 1 d D . . H59A_2 H 1.265(13) 0.5301(9) 0.375(7) 0.049 Uiso 1 1 d D . . H59B_2 H 1.256(13) 0.487(5) 0.395(4) 0.049 Uiso 1 1 d D . . O60_2 O 1.3714(8) 0.5375(5) 0.2153(5) 0.033(4) Uani 1 1 d . . . H60_2 H 1.3965 0.5131 0.2019 0.040 Uiso 1 1 calc R . . O61_2 O 1.2313(8) 0.4603(5) 0.1715(5) 0.034(4) Uani 1 1 d . . . H61_2 H 1.2702 0.4508 0.1740 0.052 Uiso 1 1 calc R . . C120_2 C 1.0044(12) 0.4936(8) 0.3473(8) 0.037(7) Uiso 1 1 d . . . C121_2 C 0.9630(12) 0.5328(8) 0.3560(8) 0.037(7) Uiso 1 1 d . . . C122_2 C 0.9243(14) 0.5342(10) 0.3963(9) 0.055(8) Uiso 1 1 d . . . H122_2 H 0.8952 0.5596 0.4028 0.066 Uiso 1 1 calc R . . C123_2 C 0.9273(14) 0.5021(9) 0.4242(11) 0.066(9) Uiso 1 1 d D . . C124_2 C 0.9668(14) 0.4627(9) 0.4164(10) 0.063(9) Uiso 1 1 d D . . H124_2 H 0.9684 0.4389 0.4369 0.075 Uiso 1 1 calc R . . C125_2 C 1.0051(13) 0.4604(8) 0.3749(8) 0.038(7) Uiso 1 1 d . . . C126_2 C 0.9516(13) 0.5692(8) 0.3259(9) 0.042(7) Uiso 1 1 d . . . H126_2 H 0.9824 0.5635 0.2995 0.051 Uiso 1 1 calc R . . C127_2 C 0.9667(15) 0.6162(10) 0.3449(10) 0.066(9) Uiso 1 1 d . . . H27A_2 H 0.9729 0.6378 0.3213 0.099 Uiso 1 1 calc R . . H27B_2 H 1.0066 0.6125 0.3601 0.099 Uiso 1 1 calc R . . H27C_2 H 0.9298 0.6269 0.3650 0.099 Uiso 1 1 calc R . . C128_2 C 0.8827(17) 0.5730(12) 0.3121(12) 0.090(12) Uiso 1 1 d . . . H28A_2 H 0.8752 0.6012 0.2966 0.134 Uiso 1 1 calc R . . H28B_2 H 0.8513 0.5721 0.3376 0.134 Uiso 1 1 calc R . . H28C_2 H 0.8768 0.5481 0.2933 0.134 Uiso 1 1 calc R . . C129_2 C 0.8876(17) 0.5039(12) 0.4661(13) 0.108(14) Uiso 1 1 d D . . H129_2 H 0.8526 0.5256 0.4564 0.129 Uiso 1 1 calc R . . C130_2 C 0.842(2) 0.4691(13) 0.4814(14) 0.123(16) Uiso 1 1 d D . . H30A_2 H 0.8115 0.4648 0.4595 0.185 Uiso 1 1 calc R . . H30B_2 H 0.8166 0.4789 0.5082 0.185 Uiso 1 1 calc R . . H30C_2 H 0.8670 0.4410 0.4867 0.185 Uiso 1 1 calc R . . C131_2 C 0.908(3) 0.5335(16) 0.4999(15) 0.17(2) Uiso 1 1 d D . . H31A_2 H 0.9539 0.5404 0.4927 0.261 Uiso 1 1 calc R . . H31B_2 H 0.9044 0.5182 0.5279 0.261 Uiso 1 1 calc R . . H31C_2 H 0.8800 0.5611 0.5012 0.261 Uiso 1 1 calc R . . C132_2 C 1.0408(16) 0.4139(10) 0.3772(6) 0.071(10) Uiso 1 1 d . . . H132_2 H 1.0679 0.4149 0.3490 0.085 Uiso 1 1 calc RD . . C133_2 C 1.0928(15) 0.3992(10) 0.4040(10) 0.070(10) Uiso 1 1 d . . . H33A_2 H 1.1194 0.4243 0.4087 0.105 Uiso 1 1 calc R . . H33B_2 H 1.1207 0.3751 0.3896 0.105 Uiso 1 1 calc R . . H33C_2 H 1.0736 0.3884 0.4318 0.105 Uiso 1 1 calc R . . C134_2 C 0.9943(14) 0.3757(9) 0.3658(10) 0.058(9) Uiso 1 1 d . . . H34A_2 H 1.0211 0.3478 0.3600 0.087 Uiso 1 1 calc R . . H34B_2 H 0.9717 0.3847 0.3403 0.087 Uiso 1 1 calc R . . H34C_2 H 0.9619 0.3712 0.3902 0.087 Uiso 1 1 calc R . . C135_2 C 1.3871(12) 0.5983(7) 0.1287(7) 0.028(6) Uiso 1 1 d . . . C136_2 C 1.4458(13) 0.6169(8) 0.1324(8) 0.040(7) Uiso 1 1 d . . . C137_2 C 1.4902(14) 0.6216(9) 0.0964(9) 0.052(8) Uiso 1 1 d . . . H137_2 H 1.5295 0.6360 0.0986 0.062 Uiso 1 1 calc R . . C138_2 C 1.4755(12) 0.6046(10) 0.0560(11) 0.071(10) Uiso 1 1 d D . . C139_2 C 1.4163(12) 0.5847(9) 0.0537(10) 0.059(9) Uiso 1 1 d D . . H139_2 H 1.4049 0.5735 0.0272 0.071 Uiso 1 1 calc R . . C140_2 C 1.3755(12) 0.5819(9) 0.0903(9) 0.043(7) Uiso 1 1 d D . . C141_2 C 1.4664(14) 0.6348(9) 0.1745(9) 0.047(8) Uiso 1 1 d . . . H141_2 H 1.4264 0.6368 0.1954 0.056 Uiso 1 1 calc R . . C142_2 C 1.4940(16) 0.6803(10) 0.1728(10) 0.070(10) Uani 1 1 d . . . H42A_2 H 1.4999 0.6897 0.2020 0.105 Uiso 1 1 calc R . . H42B_2 H 1.4636 0.7019 0.1596 0.105 Uiso 1 1 calc R . . H42C_2 H 1.5365 0.6787 0.1556 0.105 Uiso 1 1 calc R . . C143_2 C 1.5165(15) 0.6010(10) 0.1936(10) 0.063(9) Uiso 1 1 d . . . H43A_2 H 1.5296 0.6126 0.2205 0.094 Uiso 1 1 calc R . . H43B_2 H 1.5552 0.5963 0.1730 0.094 Uiso 1 1 calc R . . H43C_2 H 1.4966 0.5726 0.1994 0.094 Uiso 1 1 calc R . . C144_2 C 1.5222(16) 0.6134(9) 0.0143(14) 0.103(13) Uiso 1 1 d D . . H144_2 H 1.4929 0.6160 -0.0098 0.124 Uiso 1 1 calc R . . C145_2 C 1.561(3) 0.5693(13) 0.0081(16) 0.21(4) Uani 1 1 d D . . H45A_2 H 1.5564 0.5518 0.0349 0.318 Uiso 1 1 calc RD . . H45B_2 H 1.6069 0.5742 0.0004 0.318 Uiso 1 1 calc R . . H45C_2 H 1.5436 0.5531 -0.0150 0.318 Uiso 1 1 calc R . . C146_2 C 1.562(2) 0.6536(13) 0.0101(18) 0.18(2) Uiso 1 1 d D . . H46A_2 H 1.5380 0.6782 0.0265 0.265 Uiso 1 1 calc R . . H46B_2 H 1.5680 0.6624 -0.0203 0.265 Uiso 1 1 calc R . . H46C_2 H 1.6042 0.6465 0.0213 0.265 Uiso 1 1 calc R . . C147_2 C 1.3186(15) 0.5601(13) 0.0747(7) 0.118(15) Uiso 1 1 d D . . H147_2 H 1.2879 0.5675 0.1007 0.142 Uiso 1 1 calc RD . . C148_2 C 1.2752(18) 0.5762(12) 0.0448(12) 0.091(12) Uiso 1 1 d . . . H4'A_2 H 1.2491 0.5520 0.0369 0.137 Uiso 1 1 calc R . . H4'B_2 H 1.3002 0.5872 0.0190 0.137 Uiso 1 1 calc R . . H4'C_2 H 1.2460 0.6005 0.0576 0.137 Uiso 1 1 calc R . . C149_2 C 1.3242(19) 0.5091(12) 0.0836(13) 0.102(13) Uiso 1 1 d . . . H49A_2 H 1.2819 0.4969 0.0804 0.153 Uiso 1 1 calc R . . H49B_2 H 1.3363 0.5034 0.1130 0.153 Uiso 1 1 calc R . . H49C_2 H 1.3579 0.4948 0.0631 0.153 Uiso 1 1 calc R . . C150_2 C 1.3181(14) 0.6642(9) 0.4183(9) 0.053(8) Uiso 1 1 d . . . C151_2 C 1.2912(14) 0.7093(9) 0.4226(9) 0.049(8) Uiso 1 1 d . . . C152_2 C 1.2784(17) 0.7247(12) 0.4664(11) 0.078(10) Uiso 1 1 d . . . H152_2 H 1.2624 0.7548 0.4716 0.093 Uiso 1 1 calc R . . C153_2 C 1.2893(16) 0.6958(9) 0.5015(10) 0.075(10) Uiso 1 1 d D . . C154_2 C 1.3167(14) 0.6525(8) 0.4934(10) 0.058(9) Uiso 1 1 d D . . H154_2 H 1.3271 0.6332 0.5166 0.070 Uiso 1 1 calc R . . C155_2 C 1.3283(13) 0.6383(7) 0.4524(9) 0.045(7) Uiso 1 1 d D . . C156_2 C 1.2832(16) 0.7411(10) 0.3844(10) 0.066(9) Uiso 1 1 d . . . H156_2 H 1.2713 0.7233 0.3599 0.079 Uiso 1 1 calc R . . C157_2 C 1.3460(18) 0.7608(12) 0.3706(12) 0.097(13) Uiso 1 1 d . . . H57A_2 H 1.3817 0.7373 0.3690 0.146 Uiso 1 1 calc R . . H57B_2 H 1.3546 0.7831 0.3916 0.146 Uiso 1 1 calc R . . H57C_2 H 1.3432 0.7750 0.3423 0.146 Uiso 1 1 calc R . . C158_2 C 1.230(2) 0.7781(13) 0.3929(14) 0.117(15) Uiso 1 1 d . . . H58A_2 H 1.1902 0.7656 0.4068 0.176 Uiso 1 1 calc R . . H58B_2 H 1.2195 0.7925 0.3656 0.176 Uiso 1 1 calc R . . H58C_2 H 1.2447 0.8002 0.4118 0.176 Uiso 1 1 calc R . . C159_2 C 1.2687(19) 0.7138(17) 0.5456(10) 0.16(2) Uiso 1 1 d D . . H159_2 H 1.2327 0.7359 0.5377 0.192 Uiso 1 1 calc R . . C160_2 C 1.229(3) 0.6851(16) 0.5759(17) 0.181 Uiso 1 1 d D . . H60A_2 H 1.1978 0.6700 0.5598 0.272 Uiso 1 1 calc R . . H60B_2 H 1.2041 0.7038 0.5981 0.272 Uiso 1 1 calc R . . H60C_2 H 1.2577 0.6629 0.5894 0.272 Uiso 1 1 calc R . . C161_2 C 1.315(3) 0.7460(19) 0.560(2) 0.235 Uiso 1 1 d D . . H61A_2 H 1.2974 0.7766 0.5544 0.352 Uiso 1 1 calc R . . H61B_2 H 1.3579 0.7406 0.5446 0.352 Uiso 1 1 calc R . . H61C_2 H 1.3183 0.7420 0.5911 0.352 Uiso 1 1 calc R . . C162_2 C 1.3588(11) 0.5922(7) 0.4593(6) 0.100(14) Uani 1 1 d D . . H162_2 H 1.3565 0.5835 0.4287 0.120 Uiso 1 1 calc RD . . C163_2 C 1.3269(16) 0.5518(9) 0.4772(11) 0.083(11) Uiso 1 1 d D . . H63A_2 H 1.3597 0.5265 0.4775 0.125 Uiso 1 1 calc R . . H63B_2 H 1.2922 0.5447 0.4593 0.125 Uiso 1 1 calc R . . H63C_2 H 1.3078 0.5577 0.5067 0.125 Uiso 1 1 calc R . . C164_2 C 1.4324(11) 0.5887(11) 0.4559(10) 0.087(12) Uani 1 1 d D . . H64A_2 H 1.4484 0.5573 0.4565 0.131 Uiso 1 1 calc R . . H64B_2 H 1.4478 0.6041 0.4801 0.131 Uiso 1 1 calc R . . H64C_2 H 1.4491 0.6026 0.4288 0.131 Uiso 1 1 calc R . . C165_2 C 1.0060(14) 0.5444(9) 0.1352(9) 0.049(8) Uiso 1 1 d . . . C166_2 C 0.9646(13) 0.5815(9) 0.1436(8) 0.050(8) Uiso 1 1 d D . . C167_2 C 0.9367(14) 0.6035(9) 0.1090(8) 0.058(9) Uiso 1 1 d D . . H167_2 H 0.9092 0.6297 0.1151 0.070 Uiso 1 1 calc R . . C168_2 C 0.9458(15) 0.5902(10) 0.0672(12) 0.079(11) Uiso 1 1 d D . . C169_2 C 0.9879(14) 0.5520(9) 0.0595(11) 0.067(9) Uiso 1 1 d D . . H169_2 H 0.9962 0.5423 0.0305 0.080 Uiso 1 1 calc R . . C170_2 C 1.0182(15) 0.5274(10) 0.0908(10) 0.058(9) Uiso 1 1 d . . . C171_2 C 0.9474(12) 0.5980(8) 0.1888(9) 0.053(8) Uiso 1 1 d D . . H171_2 H 0.9779 0.5800 0.2068 0.063 Uiso 1 1 calc R . . C172_2 C 0.960(2) 0.6456(8) 0.1960(13) 0.113(14) Uiso 1 1 d D . . H72A_2 H 1.0038 0.6516 0.1826 0.169 Uiso 1 1 calc R . . H72B_2 H 0.9583 0.6511 0.2270 0.169 Uiso 1 1 calc R . . H72C_2 H 0.9270 0.6653 0.1831 0.169 Uiso 1 1 calc R . . C173_2 C 0.8823(11) 0.5786(14) 0.198(2) 0.23(3) Uiso 1 1 d D . . H73A_2 H 0.8721 0.5761 0.2293 0.344 Uiso 1 1 calc RD . . H73B_2 H 0.8838 0.5490 0.1853 0.344 Uiso 1 1 calc RD . . H73C_2 H 0.8482 0.5981 0.1858 0.344 Uiso 1 1 calc RD . . C174_2 C 0.9188(13) 0.6170(12) 0.0306(12) 0.088(11) Uiso 1 1 d D . . H174_2 H 0.9298 0.5988 0.0041 0.105 Uiso 1 1 calc R . . C175_2 C 0.950(2) 0.6585(13) 0.0229(14) 0.117(15) Uiso 1 1 d . . . H75A_2 H 0.9290 0.6755 0.0001 0.175 Uiso 1 1 calc R . . H75B_2 H 0.9966 0.6521 0.0139 0.175 Uiso 1 1 calc R . . H75C_2 H 0.9452 0.6759 0.0494 0.175 Uiso 1 1 calc R . . C176_2 C 0.8454(13) 0.6210(13) 0.0381(13) 0.108(14) Uiso 1 1 d D . . H76A_2 H 0.8263 0.6195 0.0104 0.162 Uiso 1 1 calc R . . H76B_2 H 0.8312 0.6496 0.0516 0.162 Uiso 1 1 calc R . . H76C_2 H 0.8308 0.5966 0.0569 0.162 Uiso 1 1 calc R . . C177_2 C 1.0517(11) 0.4831(8) 0.0795(9) 0.044(7) Uiso 1 1 d D . . H177_2 H 1.0756 0.4736 0.1051 0.066 Uiso 1 1 calc R . . C178_2 C 1.1046(16) 0.4888(10) 0.0434(11) 0.075(11) Uani 1 1 d . . . H78A_2 H 1.1310 0.4606 0.0388 0.113 Uiso 1 1 calc R . . H78B_2 H 1.1329 0.5119 0.0510 0.113 Uiso 1 1 calc R . . H78C_2 H 1.0844 0.4977 0.0169 0.113 Uiso 1 1 calc R . . C179_2 C 1.0061(14) 0.4473(9) 0.0739(10) 0.071(10) Uiso 1 1 d D . . H79A_2 H 1.0315 0.4202 0.0633 0.106 Uiso 1 1 calc R . . H79B_2 H 0.9749 0.4573 0.0531 0.106 Uiso 1 1 calc R . . H79C_2 H 0.9821 0.4408 0.1016 0.106 Uiso 1 1 calc R . . C180_2 C 1.2328(9) 0.7334(8) 0.2661(8) 0.036(7) Uiso 1 1 d D . . C181_2 C 1.1702(9) 0.7444(8) 0.2864(8) 0.041(7) Uiso 1 1 d D . . C182_2 C 1.1529(14) 0.7924(9) 0.2906(9) 0.049(8) Uiso 1 1 d D . . H182_2 H 1.1102 0.8021 0.3026 0.059 Uiso 1 1 calc RD . . C183_2 C 1.1952(14) 0.8232(9) 0.2779(9) 0.050(8) Uiso 1 1 d . . . C184_2 C 1.2518(13) 0.8094(9) 0.2563(8) 0.042(7) Uiso 1 1 d . . . H184_2 H 1.2797 0.8313 0.2446 0.051 Uiso 1 1 calc R . . C185_2 C 1.2729(14) 0.7642(9) 0.2496(9) 0.049(8) Uiso 1 1 d . . . C186_2 C 1.1127(11) 0.7217(8) 0.3074(5) 0.088(11) Uiso 1 1 d D . . H186_2 H 1.1334 0.6907 0.3041 0.106 Uiso 1 1 calc RD . . C187_2 C 1.0659(13) 0.7180(10) 0.2734(8) 0.067(9) Uiso 1 1 d D . . H87A_2 H 1.0323 0.6977 0.2836 0.101 Uiso 1 1 calc R . . H87B_2 H 1.0899 0.7063 0.2470 0.101 Uiso 1 1 calc R . . H87C_2 H 1.0449 0.7475 0.2676 0.101 Uiso 1 1 calc R . . C188_2 C 1.0890(15) 0.7167(10) 0.3540(6) 0.066(9) Uiso 1 1 d D . . H88A_2 H 1.0710 0.6876 0.3589 0.099 Uiso 1 1 calc R . . H88B_2 H 1.0549 0.7404 0.3618 0.099 Uiso 1 1 calc R . . H88C_2 H 1.1258 0.7191 0.3717 0.099 Uiso 1 1 calc R . . C189_2 C 1.1785(14) 0.8731(10) 0.2851(10) 0.071(10) Uiso 1 1 d D . . H189_2 H 1.2192 0.8886 0.2765 0.086 Uiso 1 1 calc R . . C190_2 C 1.1584(18) 0.8839(10) 0.3347(10) 0.082(12) Uani 1 1 d . . . H90A_2 H 1.1968 0.8785 0.3511 0.124 Uiso 1 1 calc R . . H90B_2 H 1.1240 0.8647 0.3460 0.124 Uiso 1 1 calc R . . H90C_2 H 1.1420 0.9152 0.3375 0.124 Uiso 1 1 calc R . . C191_2 C 1.1267(18) 0.8922(13) 0.2576(12) 0.115(15) Uiso 1 1 d D . . H91A_2 H 1.1099 0.9216 0.2683 0.172 Uiso 1 1 calc R . . H91B_2 H 1.0908 0.8724 0.2586 0.172 Uiso 1 1 calc R . . H91C_2 H 1.1457 0.8952 0.2278 0.172 Uiso 1 1 calc RD . . C192_2 C 1.3389(14) 0.7533(9) 0.2253(9) 0.051(8) Uiso 1 1 d . . . H192_2 H 1.3481 0.7202 0.2258 0.061 Uiso 1 1 calc R . . C193_2 C 1.3946(15) 0.7741(10) 0.2438(10) 0.065(9) Uiso 1 1 d . . . H93A_2 H 1.4360 0.7647 0.2273 0.098 Uiso 1 1 calc R . . H93B_2 H 1.3966 0.7647 0.2740 0.098 Uiso 1 1 calc R . . H93C_2 H 1.3876 0.8067 0.2423 0.098 Uiso 1 1 calc R . . C194_2 C 1.3374(14) 0.7687(9) 0.1781(9) 0.055(8) Uiso 1 1 d . . . H94A_2 H 1.3796 0.7601 0.1623 0.083 Uiso 1 1 calc R . . H94B_2 H 1.3291 0.8012 0.1769 0.083 Uiso 1 1 calc R . . H94C_2 H 1.3023 0.7546 0.1651 0.083 Uiso 1 1 calc R . . C195_2 C 1.1969(12) 0.3629(8) 0.2030(8) 0.030(6) Uiso 1 1 d . . . C196_2 C 1.2098(13) 0.3308(8) 0.2348(8) 0.039(7) Uiso 1 1 d . . . C197_2 C 1.2427(13) 0.2905(9) 0.2243(9) 0.045(7) Uiso 1 1 d . . . H197_2 H 1.2505 0.2694 0.2466 0.054 Uiso 1 1 calc R . . C198_2 C 1.2650(13) 0.2794(8) 0.1819(9) 0.047(8) Uiso 1 1 d D . . C199_2 C 1.2479(14) 0.3085(9) 0.1493(10) 0.059(9) Uani 1 1 d . . . H199_2 H 1.2585 0.3002 0.1201 0.070 Uiso 1 1 calc R . . C200_2 C 1.2148(12) 0.3503(8) 0.1589(8) 0.038(7) Uiso 1 1 d . . . C201_2 C 1.1871(12) 0.3376(9) 0.2816(8) 0.039(7) Uiso 1 1 d . . . H201_2 H 1.1776 0.3703 0.2863 0.046 Uiso 1 1 calc R . . C202_2 C 1.2349(15) 0.3200(10) 0.3137(10) 0.062(9) Uiso 1 1 d . . . H02A_2 H 1.2159 0.3267 0.3430 0.092 Uiso 1 1 calc R . . H02B_2 H 1.2762 0.3344 0.3082 0.092 Uiso 1 1 calc R . . H02C_2 H 1.2431 0.2877 0.3105 0.092 Uiso 1 1 calc R . . C203_2 C 1.1228(15) 0.3142(10) 0.2929(10) 0.068(9) Uiso 1 1 d . . . H03A_2 H 1.0882 0.3281 0.2763 0.102 Uiso 1 1 calc R . . H03B_2 H 1.1096 0.3173 0.3237 0.102 Uiso 1 1 calc R . . H03C_2 H 1.1300 0.2826 0.2858 0.102 Uiso 1 1 calc R . . C204_2 C 1.3049(13) 0.2362(8) 0.1736(12) 0.085(11) Uiso 1 1 d D . . H204_2 H 1.3041 0.2196 0.2016 0.102 Uiso 1 1 calc R . . C205_2 C 1.276(2) 0.2072(14) 0.1426(14) 0.147(19) Uiso 1 1 d D . . H05A_2 H 1.2827 0.1759 0.1514 0.221 Uiso 1 1 calc R . . H05B_2 H 1.2975 0.2115 0.1136 0.221 Uiso 1 1 calc R . . H05C_2 H 1.2289 0.2154 0.1424 0.221 Uiso 1 1 calc R . . C206_2 C 1.3753(17) 0.244(2) 0.161(2) 0.24(3) Uiso 1 1 d D . . H06A_2 H 1.3829 0.2449 0.1293 0.359 Uiso 1 1 calc R . . H06B_2 H 1.4037 0.2202 0.1724 0.359 Uiso 1 1 calc R . . H06C_2 H 1.3854 0.2728 0.1723 0.359 Uiso 1 1 calc R . . C207_2 C 1.1967(10) 0.3788(8) 0.1200(8) 0.036(7) Uiso 1 1 d D . . H207_2 H 1.1801 0.4088 0.1312 0.043 Uiso 1 1 calc R . . C208_2 C 1.2529(14) 0.3859(9) 0.0879(9) 0.055(8) Uiso 1 1 d . . . H08A_2 H 1.2861 0.4012 0.1015 0.082 Uiso 1 1 calc R . . H08B_2 H 1.2376 0.4040 0.0639 0.082 Uiso 1 1 calc R . . H08C_2 H 1.2720 0.3570 0.0771 0.082 Uiso 1 1 calc R . . C209_2 C 1.1428(11) 0.3613(9) 0.0970(8) 0.052(8) Uiso 1 1 d D . . H09A_2 H 1.1284 0.3835 0.0758 0.078 Uiso 1 1 calc R . . H09B_2 H 1.1058 0.3554 0.1179 0.078 Uiso 1 1 calc R . . H09C_2 H 1.1590 0.3336 0.0823 0.078 Uiso 1 1 calc R . . C210_2 C 1.5471(13) 0.4502(8) 0.3227(8) 0.037(7) Uiso 1 1 d . . . C211_2 C 1.5648(15) 0.4371(10) 0.3625(10) 0.060(9) Uiso 1 1 d . . . C212_2 C 1.6344(17) 0.4302(11) 0.3703(12) 0.075(10) Uiso 1 1 d . . . H212_2 H 1.6468 0.4203 0.3977 0.090 Uiso 1 1 calc R . . C213_2 C 1.6807(18) 0.4380(11) 0.3379(12) 0.077(10) Uiso 1 1 d . . . C214_2 C 1.6630(16) 0.4500(10) 0.2975(11) 0.065(9) Uiso 1 1 d . . . H214_2 H 1.6960 0.4529 0.2746 0.077 Uiso 1 1 calc R . . C215_2 C 1.5951(13) 0.4582(8) 0.2896(8) 0.041(7) Uiso 1 1 d . . . C216_2 C 1.5209(18) 0.4238(10) 0.4036(10) 0.080(11) Uiso 1 1 d D . . H216_2 H 1.4752 0.4267 0.3945 0.096 Uiso 1 1 calc R . . C217_2 C 1.5312(19) 0.3753(12) 0.4172(12) 0.098(13) Uiso 1 1 d . . . H17D_2 H 1.5046 0.3701 0.4442 0.147 Uiso 1 1 calc R . . H17E_2 H 1.5776 0.3682 0.4213 0.147 Uiso 1 1 calc R . . H17F_2 H 1.5180 0.3562 0.3948 0.147 Uiso 1 1 calc R . . C218_2 C 1.5212(19) 0.4587(11) 0.4373(11) 0.100(13) Uiso 1 1 d D . . H18D_2 H 1.5030 0.4873 0.4264 0.150 Uiso 1 1 calc R . . H18E_2 H 1.5663 0.4617 0.4443 0.150 Uiso 1 1 calc R . . H18F_2 H 1.4945 0.4500 0.4633 0.150 Uiso 1 1 calc R . . C219_2 C 1.7516(18) 0.4318(11) 0.3518(13) 0.147(19) Uiso 1 1 d D . . H219_2 H 1.7554 0.4167 0.3803 0.176 Uiso 1 1 calc R . . C220_2 C 1.780(2) 0.4763(11) 0.3475(15) 0.136 Uiso 1 1 d D . . H20D_2 H 1.7493 0.4991 0.3613 0.204 Uiso 1 1 calc R . . H20E_2 H 1.7893 0.4839 0.3170 0.204 Uiso 1 1 calc R . . H20F_2 H 1.8214 0.4750 0.3616 0.204 Uiso 1 1 calc R . . C221_2 C 1.7967(16) 0.4119(11) 0.3156(10) 0.078 Uiso 1 1 d D . . H21D_2 H 1.7741 0.4132 0.2891 0.117 Uiso 1 1 calc R . . H21E_2 H 1.8093 0.3808 0.3227 0.117 Uiso 1 1 calc R . . H21F_2 H 1.8360 0.4288 0.3114 0.117 Uiso 1 1 calc R . . C222_2 C 1.5861(15) 0.4731(9) 0.2453(9) 0.055(8) Uiso 1 1 d . . . H222_2 H 1.5378 0.4787 0.2434 0.066 Uiso 1 1 calc R . . C223_2 C 1.6165(16) 0.5151(10) 0.2312(11) 0.073(10) Uiso 1 1 d . . . H23D_2 H 1.6084 0.5217 0.2012 0.109 Uiso 1 1 calc R . . H23E_2 H 1.6639 0.5114 0.2337 0.109 Uiso 1 1 calc R . . H23F_2 H 1.5973 0.5396 0.2495 0.109 Uiso 1 1 calc R . . C224_2 C 1.6100(16) 0.4358(10) 0.2127(11) 0.078(10) Uiso 1 1 d . . . H24D_2 H 1.5881 0.4409 0.1862 0.116 Uiso 1 1 calc RD . . H24E_2 H 1.5995 0.4068 0.2252 0.116 Uiso 1 1 calc R . . H24F_2 H 1.6575 0.4361 0.2061 0.116 Uiso 1 1 calc R . . C225_2 C 1.5611(14) 0.6581(7) 0.3550(10) 0.057(8) Uiso 1 1 d D . . C226_2 C 1.5851(15) 0.7002(8) 0.3468(11) 0.070(10) Uiso 1 1 d D . . H226_2 H 1.5713 0.7181 0.3235 0.085 Uiso 1 1 calc R . . C227_2 C 1.6294(19) 0.7151(13) 0.3735(13) 0.094(12) Uiso 1 1 d . . . H227_2 H 1.6469 0.7427 0.3654 0.113 Uiso 1 1 calc R . . C228_2 C 1.650(2) 0.6965(15) 0.4076(19) 0.190 Uiso 1 1 d D . . C229_2 C 1.630(2) 0.6533(16) 0.414(2) 0.22(3) Uiso 1 1 d D . . H229_2 H 1.6474 0.6358 0.4367 0.263 Uiso 1 1 calc R . . C230_2 C 1.585(3) 0.6342(16) 0.3899(12) 0.16(2) Uiso 1 1 d D . . H230_2 H 1.5711 0.6053 0.3970 0.198 Uiso 1 1 calc R . . C231_2 C 1.6920(15) 0.7268(10) 0.4290(10) 0.066 Uiso 1 1 d D . . H31D_2 H 1.7232 0.7393 0.4073 0.099 Uiso 1 1 calc R . . H31E_2 H 1.7160 0.7098 0.4504 0.099 Uiso 1 1 calc R . . H31F_2 H 1.6642 0.7510 0.4432 0.099 Uiso 1 1 calc R . . C232_2 C 1.4463(11) 0.3777(8) 0.1861(8) 0.037(7) Uiso 1 1 d D . . C233_2 C 1.4982(13) 0.3475(9) 0.1958(11) 0.074(10) Uiso 1 1 d D . . H233_2 H 1.5117 0.3467 0.2242 0.089 Uiso 1 1 calc R . . C234_2 C 1.5307(15) 0.3187(11) 0.1655(9) 0.071(10) Uiso 1 1 d D . . H234_2 H 1.5680 0.3005 0.1727 0.085 Uiso 1 1 calc R . . C235_2 C 1.5087(13) 0.3163(10) 0.1244(8) 0.078(11) Uiso 1 1 d D . . C236_2 C 1.4474(18) 0.3377(17) 0.1180(19) 0.19(3) Uiso 1 1 d D . . H236_2 H 1.4221 0.3284 0.0961 0.231 Uiso 1 1 calc R . . C237_2 C 1.425(3) 0.373(2) 0.1451(11) 0.198 Uiso 1 1 d D . . H237_2 H 1.3933 0.3949 0.1354 0.237 Uiso 1 1 calc R . . C238_2 C 1.544(2) 0.2832(11) 0.0935(10) 0.116(17) Uani 1 1 d D . . H38D_2 H 1.5533 0.2978 0.0655 0.174 Uiso 1 1 calc R . . H38E_2 H 1.5161 0.2585 0.0901 0.174 Uiso 1 1 calc R . . H38F_2 H 1.5850 0.2717 0.1046 0.174 Uiso 1 1 calc R . . S5_3 S 1.1473(3) 0.5832(2) 0.3970(2) 0.0355(17) Uani 1 1 d . . . S6_3 S 0.6311(3) 0.9201(2) 0.1120(2) 0.0324(17) Uani 1 1 d . . . S7_3 S 0.7878(4) 1.0781(3) 0.0440(2) 0.048(2) Uani 1 1 d . . . S8_3 S 0.6065(4) 0.8762(3) 0.3835(3) 0.057(2) Uani 1 1 d . . . S9_3 S 1.1613(4) 0.6551(3) 0.1322(2) 0.056(2) Uani 1 1 d . . . S10_3 S 0.9502(4) 0.4098(3) 0.2198(3) 0.053(2) Uani 1 1 d . . . S11_3 S 0.3609(4) 1.1098(4) 0.2804(3) 0.073(3) Uani 1 1 d D . . S12_3 S 0.3098(7) 0.4250(3) 0.4526(3) 0.093(4) Uani 1 1 d D . . O62_3 O 0.7011(7) 0.9227(5) 0.1037(5) 0.031(4) Uani 1 1 d . . . O63_3 O 1.2165(8) 0.5817(5) 0.4043(5) 0.038(5) Uani 1 1 d . . . O64_3 O 1.1366(8) 0.6077(5) 0.3570(5) 0.039(5) Uani 1 1 d . . . O65_3 O 0.6164(8) 0.8983(5) 0.1541(5) 0.038(5) Uani 1 1 d . . . O66_3 O 1.1203(8) 0.5412(6) 0.3976(5) 0.040(5) Uani 1 1 d . . . O67_3 O 0.8296(10) 1.1124(6) 0.0564(6) 0.054(5) Uani 1 1 d . . . O68_3 O 0.7176(12) 1.0889(8) 0.0563(8) 0.095(8) Uiso 1 1 d . . . O69_3 O 0.9794(10) 0.3889(7) 0.2553(7) 0.066(6) Uani 1 1 d . . . O70_3 O 1.2287(9) 0.6655(7) 0.1231(6) 0.058(6) Uani 1 1 d . . . O71_3 O 0.6757(10) 0.8699(7) 0.3887(6) 0.069(6) Uani 1 1 d . . . O72_3 O 0.3936(10) 1.1254(7) 0.2411(6) 0.070(7) Uani 1 1 d . . . O73_3 O 0.5773(10) 0.9201(6) 0.3970(7) 0.075(7) Uani 1 1 d . . . O74_3 O 0.5927(11) 0.8651(7) 0.3413(8) 0.084(7) Uiso 1 1 d . . . O75_3 O 0.9945(9) 0.4073(7) 0.1801(7) 0.066(6) Uani 1 1 d . . . O76_3 O 0.9250(10) 0.4558(6) 0.2294(8) 0.076(7) Uani 1 1 d . . . O77_3 O 0.8102(12) 1.0357(6) 0.0601(6) 0.077(7) Uani 1 1 d . . . O78_3 O 0.3941(15) 1.1181(10) 0.3184(10) 0.131(11) Uiso 1 1 d . . . O79_3 O 1.1363(12) 0.6657(8) 0.1774(8) 0.095(8) Uiso 1 1 d . . . O80_3 O 1.1491(10) 0.6112(7) 0.1214(7) 0.072(6) Uani 1 1 d . . . O81_3 O 0.3524(14) 1.0642(4) 0.2778(9) 0.118(10) Uiso 1 1 d D . . O82_3 O 0.9009(7) 0.9864(5) 0.2103(5) 0.031(4) Uani 1 1 d . . . H82_3 H 0.9397 0.9715 0.2194 0.037 Uiso 1 1 calc R . . O83_3 O 0.2483(15) 0.4426(9) 0.4351(10) 0.121(10) Uiso 1 1 d . . . O84_3 O 0.3027(16) 0.4286(9) 0.4975(4) 0.128(11) Uani 1 1 d D . . O85_3 O 0.3569(14) 0.4457(10) 0.4337(9) 0.110(9) Uiso 1 1 d . . . O86_3 O 0.5941(7) 0.9630(5) 0.1090(5) 0.034(4) Uani 1 1 d . . . O87_3 O 0.3158(13) 0.7885(9) -0.0328(9) 0.127 Uiso 1 1 d D . . O88_3 O 0.5845(10) 0.4320(7) 0.0885(8) 0.088 Uiso 1 1 d D . . O1W_3 O 0.433(2) 0.2293(14) 0.3077(17) 0.25(2) Uani 1 1 d D . . O2W_3 O 1.425(2) 0.3131(19) 0.301(2) 0.34(4) Uani 1 1 d D . . C239_3 C 1.1056(13) 0.6149(8) 0.4378(8) 0.040(7) Uiso 1 1 d . . . C240_3 C 1.0413(13) 0.6096(9) 0.4512(9) 0.046(8) Uiso 1 1 d . . . H240_3 H 1.0200 0.5860 0.4398 0.056 Uiso 1 1 calc R . . C241_3 C 1.0060(16) 0.6382(9) 0.4815(9) 0.060(9) Uiso 1 1 d . . . H241_3 H 0.9610 0.6349 0.4901 0.072 Uiso 1 1 calc R . . C242_3 C 1.0393(15) 0.6717(9) 0.4984(9) 0.050(8) Uiso 1 1 d . . . C243_3 C 1.0995(16) 0.6773(11) 0.4889(10) 0.070(10) Uiso 1 1 d . . . H243_3 H 1.1206 0.6991 0.5033 0.084 Uiso 1 1 calc R . . C244_3 C 1.1364(14) 0.6498(9) 0.4555(9) 0.052(8) Uiso 1 1 d . . . H244_3 H 1.1803 0.6554 0.4459 0.062 Uiso 1 1 calc R . . C245_3 C 0.9974(17) 0.7036(11) 0.5295(11) 0.083(11) Uiso 1 1 d . . . H45A_3 H 0.9642 0.7205 0.5138 0.125 Uiso 1 1 calc RD . . H54B_3 H 1.0255 0.7243 0.5416 0.125 Uiso 1 1 calc R . . H45C_3 H 0.9757 0.6863 0.5528 0.125 Uiso 1 1 calc R . . C246_3 C 0.6080(12) 0.8849(8) 0.0726(8) 0.030(6) Uiso 1 1 d . . . C247_3 C 0.5453(13) 0.8912(9) 0.0570(9) 0.044(7) Uiso 1 1 d . . . H247_3 H 0.5159 0.9154 0.0669 0.053 Uiso 1 1 calc R . . C248_3 C 0.5270(15) 0.8621(9) 0.0271(9) 0.059(9) Uani 1 1 d . . . H248_3 H 0.4843 0.8660 0.0173 0.071 Uiso 1 1 calc R . . C249_3 C 0.5680(14) 0.8287(9) 0.0117(9) 0.048(8) Uiso 1 1 d . . . C250_3 C 0.6281(16) 0.8211(10) 0.0271(10) 0.065(9) Uiso 1 1 d . . . H250_3 H 0.6560 0.7960 0.0176 0.078 Uiso 1 1 calc R . . C251_3 C 0.6490(15) 0.8508(9) 0.0576(9) 0.059(9) Uiso 1 1 d . . . H251_3 H 0.6917 0.8464 0.0671 0.070 Uiso 1 1 calc R . . C252_3 C 0.5524(14) 0.7986(11) -0.0221(11) 0.079(11) Uiso 1 1 d . . . H52A_3 H 0.5583 0.7676 -0.0121 0.118 Uiso 1 1 calc R . . H52B_3 H 0.5818 0.8030 -0.0482 0.118 Uiso 1 1 calc R . . H52C_3 H 0.5068 0.8052 -0.0287 0.118 Uiso 1 1 calc RD . . C253_3 C 0.7967(13) 1.0722(8) -0.0128(8) 0.037(7) Uiso 1 1 d . . . C254_3 C 0.8470(14) 1.0467(9) -0.0313(9) 0.049(8) Uiso 1 1 d . . . H254_3 H 0.8769 1.0302 -0.0145 0.059 Uiso 1 1 calc R . . C255_3 C 0.8541(16) 1.0453(10) -0.0770(10) 0.062(9) Uiso 1 1 d . . . H255_3 H 0.8902 1.0278 -0.0906 0.074 Uiso 1 1 calc R . . C256_3 C 0.8119(14) 1.0677(9) -0.1022(9) 0.045(7) Uiso 1 1 d . . . C257_3 C 0.7607(15) 1.0913(9) -0.0816(10) 0.059(9) Uiso 1 1 d . . . H257_3 H 0.7282 1.1054 -0.0981 0.071 Uiso 1 1 calc R . . C258_3 C 0.7533(13) 1.0960(9) -0.0376(9) 0.045(7) Uiso 1 1 d . . . H258_3 H 0.7189 1.1152 -0.0244 0.054 Uiso 1 1 calc R . . C259_3 C 0.8246(17) 1.0640(11) -0.1509(10) 0.077(10) Uiso 1 1 d . . . H59A_3 H 0.8222 1.0939 -0.1639 0.116 Uiso 1 1 calc RD . . H59B_3 H 0.7915 1.0464 -0.1620 0.116 Uiso 1 1 calc R . . H59C_3 H 0.8683 1.0494 -0.1581 0.116 Uiso 1 1 calc R . . C260_3 C 0.5715(15) 0.8359(10) 0.4180(10) 0.055(8) Uiso 1 1 d . . . C261_3 C 0.5307(15) 0.8067(10) 0.4029(11) 0.065(9) Uiso 1 1 d . . . H261_3 H 0.5207 0.8082 0.3737 0.078 Uiso 1 1 calc R . . C262_3 C 0.5025(17) 0.7728(11) 0.4325(13) 0.089(12) Uani 1 1 d D . . H262_3 H 0.4716 0.7536 0.4235 0.106 Uiso 1 1 calc R . . C263_3 C 0.523(3) 0.7698(19) 0.4743(14) 0.194 Uiso 1 1 d D . . C264_3 C 0.565(2) 0.7989(14) 0.4873(15) 0.106(14) Uiso 1 1 d . . . H264_3 H 0.5781 0.7963 0.5157 0.128 Uiso 1 1 calc R . . C265_3 C 0.5898(19) 0.8339(13) 0.4590(13) 0.098(13) Uani 1 1 d . . . H265_3 H 0.6179 0.8546 0.4687 0.118 Uiso 1 1 calc R . . C266_3 C 0.497(2) 0.7332(15) 0.5029(15) 0.133(17) Uiso 1 1 d D . . H66A_3 H 0.4509 0.7297 0.4980 0.200 Uiso 1 1 calc R . . H66B_3 H 0.4997 0.7407 0.5331 0.200 Uiso 1 1 calc R . . H66C_3 H 0.5229 0.7052 0.4962 0.200 Uiso 1 1 calc R . . C267_3 C 1.1164(14) 0.6916(9) 0.0994(9) 0.050(8) Uiso 1 1 d . . . C268_3 C 1.1397(18) 0.6949(11) 0.0565(11) 0.079(11) Uiso 1 1 d . . . H268_3 H 1.1786 0.6785 0.0454 0.094 Uiso 1 1 calc R . . C269_3 C 1.1010(18) 0.7253(11) 0.0287(13) 0.087(11) Uiso 1 1 d . . . H269_3 H 1.1112 0.7259 -0.0016 0.104 Uiso 1 1 calc R . . C270_3 C 1.0507(14) 0.7524(9) 0.0473(9) 0.058(9) Uiso 1 1 d D . . C271_3 C 1.0279(14) 0.7465(9) 0.0872(9) 0.049(8) Uiso 1 1 d . . . H271_3 H 0.9879 0.7620 0.0975 0.059 Uiso 1 1 calc R . . C272_3 C 1.0619(14) 0.7169(9) 0.1159(10) 0.054(8) Uiso 1 1 d . . . H272_3 H 1.0469 0.7149 0.1455 0.065 Uiso 1 1 calc R . . C273_3 C 1.0145(16) 0.7832(10) 0.0177(10) 0.085(11) Uiso 1 1 d D . . H73A_3 H 1.0161 0.7697 -0.0108 0.128 Uiso 1 1 calc R . . H73B_3 H 1.0351 0.8117 0.0152 0.128 Uiso 1 1 calc R . . H73C_3 H 0.9687 0.7884 0.0294 0.128 Uiso 1 1 calc R . . C274_3 C 0.8823(14) 0.3822(9) 0.2083(9) 0.049(8) Uiso 1 1 d . . . C275_3 C 0.8377(15) 0.4031(11) 0.1831(10) 0.064(9) Uiso 1 1 d . . . H275_3 H 0.8416 0.4327 0.1728 0.077 Uiso 1 1 calc R . . C276_3 C 0.786(2) 0.3778(13) 0.1734(13) 0.100(13) Uiso 1 1 d . . . H276_3 H 0.7537 0.3919 0.1564 0.120 Uiso 1 1 calc R . . C277_3 C 0.7773(14) 0.3361(11) 0.1859(11) 0.070(10) Uiso 1 1 d D . . C278_3 C 0.8211(19) 0.3170(13) 0.2100(12) 0.092(12) Uiso 1 1 d . . . H278_3 H 0.8149 0.2874 0.2199 0.111 Uiso 1 1 calc R . . C279_3 C 0.8772(18) 0.3374(11) 0.2224(11) 0.078(11) Uiso 1 1 d . . . H279_3 H 0.9088 0.3221 0.2388 0.094 Uiso 1 1 calc R . . C280_3 C 0.7207(19) 0.3138(15) 0.1704(15) 0.148(19) Uiso 1 1 d D . . H80A_3 H 0.7108 0.3264 0.1423 0.222 Uiso 1 1 calc R . . H90B_3 H 0.6822 0.3187 0.1911 0.222 Uiso 1 1 calc R . . H80C_3 H 0.7322 0.2818 0.1676 0.222 Uiso 1 1 calc R . . C281_3 C 0.2841(12) 1.1358(8) 0.2892(8) 0.048(8) Uiso 1 1 d D . . C282_3 C 0.2389(12) 1.1369(13) 0.2581(11) 0.111(14) Uiso 1 1 d D . . H282_3 H 0.2528 1.1243 0.2308 0.133 Uiso 1 1 calc R . . C283_3 C 0.1745(14) 1.1557(16) 0.2648(10) 0.14(2) Uani 1 1 d D . . H283_3 H 0.1461 1.1568 0.2422 0.163 Uiso 1 1 calc R . . C284_3 C 0.1529(14) 1.1727(10) 0.3054(9) 0.064(9) Uiso 1 1 d D . . C285_3 C 0.2009(15) 1.1814(16) 0.3328(13) 0.146(19) Uiso 1 1 d D . . H285_3 H 0.1891 1.1979 0.3583 0.175 Uiso 1 1 calc R . . C286_3 C 0.2663(19) 1.1658(14) 0.3227(12) 0.148(19) Uiso 1 1 d D . . H286_3 H 0.2993 1.1759 0.3390 0.178 Uiso 1 1 calc R . . C287_3 C 0.0863(16) 1.1943(11) 0.3116(11) 0.080(11) Uiso 1 1 d . . . H87A_3 H 0.0836 1.2149 0.3358 0.120 Uiso 1 1 calc R . . H87B_3 H 0.0547 1.1716 0.3178 0.120 Uiso 1 1 calc R . . H87C_3 H 0.0761 1.2108 0.2854 0.120 Uiso 1 1 calc R . . C288_3 C 0.3025(12) 0.3703(9) 0.4438(11) 0.081 Uiso 1 1 d D . . C289_3 C 0.2470(18) 0.3462(12) 0.4534(16) 0.144 Uiso 1 1 d D . . H289_3 H 0.2092 0.3627 0.4660 0.173 Uiso 1 1 calc R . . C290_3 C 0.2400(13) 0.3009(11) 0.4469(14) 0.128 Uiso 1 1 d D . . H290_3 H 0.1993 0.2881 0.4536 0.153 Uiso 1 1 calc R . . C291_3 C 0.2957(10) 0.2754(6) 0.4299(8) 0.043 Uiso 1 1 d D . . C292_3 C 0.3530(10) 0.2948(7) 0.4137(7) 0.031 Uiso 1 1 d D . . H292_3 H 0.3885 0.2795 0.3971 0.038 Uiso 1 1 calc R . . C293_3 C 0.3509(19) 0.3397(8) 0.4252(16) 0.163 Uiso 1 1 d D . . H293_3 H 0.3919 0.3523 0.4189 0.195 Uiso 1 1 calc R . . C294_3 C 0.3002(16) 0.2259(6) 0.4239(10) 0.069 Uiso 1 1 d D . . H94A_3 H 0.3463 0.2145 0.4225 0.103 Uiso 1 1 calc R . . H94B_3 H 0.2815 0.2190 0.3972 0.103 Uiso 1 1 calc R . . H94C_3 H 0.2757 0.2118 0.4483 0.103 Uiso 1 1 calc R . . C295_3 C -0.0321(11) 0.2358(9) 0.1435(11) 0.117(15) Uiso 1 1 d D . . C296_3 C -0.0106(12) 0.2778(9) 0.1514(10) 0.126(17) Uani 1 1 d D . . H296_3 H -0.0329 0.3044 0.1420 0.151 Uiso 1 1 calc R . . C297_3 C 0.0454(13) 0.2785(13) 0.1739(11) 0.117(15) Uiso 1 1 d D . . H297_3 H 0.0604 0.3067 0.1803 0.141 Uiso 1 1 calc R . . C298_3 C 0.0807(17) 0.2400(12) 0.1875(12) 0.108(14) Uani 1 1 d D . . H298_3 H 0.1192 0.2422 0.2019 0.129 Uiso 1 1 calc R . . C299_3 C 0.0582(13) 0.1983(13) 0.1796(11) 0.118(18) Uani 1 1 d D . . H299_3 H 0.0815 0.1716 0.1880 0.142 Uiso 1 1 calc R . . C300_3 C 0.0004(16) 0.1971(10) 0.1591(11) 0.105(14) Uiso 1 1 d D . . H300_3 H -0.0173 0.1692 0.1555 0.126 Uiso 1 1 calc RD . . C301_3 C -0.0992(11) 0.2355(8) 0.1280(8) 0.044 Uiso 1 1 d D . . H01A_3 H -0.1084 0.2048 0.1219 0.066 Uiso 1 1 calc R . . H01B_3 H -0.1012 0.2537 0.1017 0.066 Uiso 1 1 calc R . . H01C_3 H -0.1320 0.2477 0.1503 0.066 Uiso 1 1 calc R . . C302_3 C 0.3554(18) 0.7301(10) 0.0207(13) 0.143(18) Uiso 1 1 d D . . H02A_3 H 0.3990 0.7137 0.0162 0.171 Uiso 1 1 calc R . . H02B_3 H 0.3389 0.7293 0.0515 0.171 Uiso 1 1 calc R . . C303_3 C 0.307(2) 0.7159(14) -0.0088(14) 0.133(17) Uiso 1 1 d D . . H03A_3 H 0.2694 0.7043 0.0091 0.160 Uiso 1 1 calc R . . H03B_3 H 0.3281 0.6909 -0.0264 0.160 Uiso 1 1 calc R . . C304_3 C 0.281(3) 0.7511(12) -0.0386(18) 0.210 Uiso 1 1 d D . . H04A_3 H 0.2879 0.7411 -0.0689 0.252 Uiso 1 1 calc R . . H04B_3 H 0.2333 0.7580 -0.0314 0.252 Uiso 1 1 calc R . . C305_3 C 0.3535(14) 0.7761(11) 0.0014(11) 0.128 Uiso 1 1 d D . . H05A_3 H 0.3391 0.7970 0.0252 0.153 Uiso 1 1 calc R . . H05B_3 H 0.3993 0.7821 -0.0082 0.153 Uiso 1 1 calc RD . . C306_3 C 0.5527(10) 0.4734(7) 0.0999(12) 0.088 Uiso 1 1 d D . . H06A_3 H 0.5300 0.4738 0.1292 0.106 Uiso 1 1 calc RD . . H06B_3 H 0.5234 0.4859 0.0785 0.106 Uiso 1 1 calc R . . C307_3 C 0.6183(10) 0.4929(8) 0.0970(10) 0.064 Uiso 1 1 d D . . H07A_3 H 0.6176 0.5184 0.0766 0.077 Uiso 1 1 calc R . . H07B_3 H 0.6256 0.5044 0.1256 0.077 Uiso 1 1 calc RD . . C308_3 C 0.6747(11) 0.4605(7) 0.0827(9) 0.052 Uiso 1 1 d D . . H08A_3 H 0.7059 0.4572 0.1052 0.063 Uiso 1 1 calc R . . H08B_3 H 0.6982 0.4716 0.0560 0.063 Uiso 1 1 calc R . . C309_3 C 0.6487(10) 0.4163(8) 0.0747(11) 0.082 Uiso 1 1 d D . . H09A_3 H 0.6542 0.4077 0.0440 0.099 Uiso 1 1 calc R . . H09B_3 H 0.6663 0.3919 0.0931 0.099 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 Sn1_1 0.0231(10) 0.0323(10) 0.0246(10) -0.0053(8) -0.0003(8) 0.0007(8) Sn2_1 0.0244(10) 0.0341(11) 0.0236(10) -0.0051(8) -0.0018(8) 0.0013(8) Sn3_1 0.0270(11) 0.0325(11) 0.0268(10) -0.0045(8) -0.0029(8) 0.0012(8) Sn4_1 0.0228(10) 0.0330(10) 0.0222(10) -0.0050(8) -0.0017(8) -0.0006(8) Sn5_1 0.0229(10) 0.0331(10) 0.0259(10) -0.0044(8) 0.0001(8) -0.0002(8) Sn6_1 0.0268(11) 0.0373(11) 0.0233(10) -0.0039(8) -0.0027(8) 0.0001(8) Sn7_1 0.0292(11) 0.0331(11) 0.0262(10) -0.0081(8) -0.0011(8) 0.0020(8) Sn8_1 0.0251(11) 0.0348(11) 0.0283(11) -0.0041(8) -0.0001(8) -0.0017(8) Sn9_1 0.0280(11) 0.0367(11) 0.0255(10) -0.0067(8) 0.0002(8) -0.0018(9) Sn10_1 0.0263(11) 0.0325(10) 0.0271(10) -0.0078(8) -0.0013(8) -0.0005(8) S1_1 0.035(4) 0.034(4) 0.038(4) -0.010(4) -0.004(4) -0.001(3) S2_1 0.027(4) 0.045(5) 0.044(5) -0.011(4) 0.004(4) 0.001(3) O1_1 0.044(12) 0.061(13) 0.033(11) -0.009(10) 0.000(9) -0.007(10) O2_1 0.032(10) 0.036(10) 0.023(9) 0.000(8) -0.008(8) 0.008(8) O3_1 0.027(10) 0.054(12) 0.029(10) -0.007(9) -0.008(8) 0.006(9) O4_1 0.019(9) 0.034(10) 0.022(9) -0.003(8) -0.001(7) -0.003(7) O5_1 0.032(11) 0.045(12) 0.069(14) -0.023(10) -0.004(10) 0.004(9) O6_1 0.065(14) 0.045(11) 0.033(11) -0.015(9) 0.008(10) -0.010(10) O8_1 0.024(10) 0.039(10) 0.025(10) -0.004(8) 0.000(8) 0.002(8) O9_1 0.031(10) 0.026(9) 0.030(10) -0.001(8) -0.005(8) -0.005(8) O10_1 0.036(11) 0.023(9) 0.028(10) -0.011(8) -0.012(8) 0.016(8) O11_1 0.020(10) 0.044(11) 0.025(10) 0.004(8) 0.000(8) 0.001(8) O12_1 0.021(10) 0.031(10) 0.033(10) -0.002(8) 0.002(8) -0.007(8) O13_1 0.022(10) 0.045(10) 0.019(9) -0.005(8) -0.005(8) 0.003(8) O14_1 0.032(10) 0.043(10) 0.015(9) -0.006(8) -0.003(8) -0.014(8) O15_1 0.023(10) 0.044(10) 0.015(9) 0.002(8) -0.006(7) -0.003(8) O16_1 0.020(9) 0.032(10) 0.040(11) -0.015(8) 0.001(8) 0.001(8) O17_1 0.040(11) 0.031(10) 0.072(14) -0.036(10) -0.033(10) 0.019(9) O19_1 0.036(11) 0.028(10) 0.068(13) -0.016(9) -0.006(10) -0.010(9) O20_1 0.020(10) 0.055(12) 0.036(11) 0.003(9) -0.006(8) -0.002(8) O21_1 0.025(10) 0.026(9) 0.036(10) -0.011(8) 0.000(8) -0.001(8) O22_1 0.031(10) 0.030(10) 0.038(11) -0.009(8) -0.001(8) -0.008(8) O23_1 0.018(9) 0.025(9) 0.021(9) 0.001(7) 0.000(7) 0.006(7) O24_1 0.041(11) 0.023(9) 0.034(10) 0.015(8) -0.003(9) 0.003(8) O25_1 0.024(10) 0.026(9) 0.032(10) -0.002(8) -0.005(8) 0.001(7) O27_1 0.029(10) 0.040(10) 0.024(10) -0.014(8) 0.007(8) -0.005(8) O28_1 0.043(12) 0.019(10) 0.051(12) -0.008(10) -0.017(9) 0.004(10) O29_1 0.025(10) 0.048(11) 0.034(11) -0.017(9) 0.005(8) 0.002(8) O30_1 0.052(12) 0.045(11) 0.035(11) -0.003(9) -0.023(9) 0.003(9) C53_1 0.28(6) 0.06(3) 0.06(3) 0.00(2) 0.02(3) -0.09(3) C54_1 0.10(4) 0.29(7) 0.11(4) -0.07(4) -0.01(3) -0.03(4) C57_1 0.17(4) 0.07(3) 0.06(3) 0.00(2) 0.00(3) -0.01(3) C71_1 0.10(4) 0.22(6) 0.14(4) 0.02(4) 0.00(3) -0.09(4) C90_1 0.05(2) 0.06(2) 0.07(2) -0.004(17) -0.031(17) 0.022(17) C101_1 0.08(3) 0.09(3) 0.15(4) 0.01(3) 0.03(3) 0.00(2) C105_1 0.06(2) 0.07(2) 0.06(2) -0.003(18) -0.028(18) 0.003(18) Sn11_2 0.0273(11) 0.0293(10) 0.0239(10) -0.0042(8) -0.0057(8) 0.0003(8) Sn12_2 0.0259(11) 0.0361(11) 0.0251(10) -0.0065(8) -0.0042(8) -0.0026(8) Sn13_2 0.0252(11) 0.0363(11) 0.0282(11) 0.0010(8) -0.0040(8) 0.0012(8) Sn14_2 0.0340(11) 0.0333(11) 0.0266(10) -0.0070(8) -0.0094(9) 0.0023(9) Sn15_2 0.0300(11) 0.0299(10) 0.0316(11) -0.0037(8) -0.0080(9) -0.0028(8) Sn16_2 0.0332(11) 0.0340(11) 0.0267(10) -0.0005(8) -0.0027(9) -0.0013(9) Sn17_2 0.0323(11) 0.0294(10) 0.0281(10) -0.0062(8) -0.0075(9) 0.0034(8) Sn18_2 0.0262(11) 0.0354(11) 0.0255(10) -0.0013(8) -0.0062(8) -0.0006(8) Sn19_2 0.0284(11) 0.0500(12) 0.0381(12) 0.0034(10) -0.0074(9) 0.0063(9) Sn20_2 0.0337(12) 0.0461(12) 0.0301(11) -0.0035(9) -0.0092(9) -0.0042(9) S3_2 0.036(5) 0.061(5) 0.045(5) 0.000(4) -0.010(4) -0.010(4) S4_2 0.034(4) 0.039(4) 0.048(5) -0.002(4) -0.002(4) 0.006(4) O31_2 0.045(13) 0.068(14) 0.052(13) 0.005(11) -0.002(10) -0.010(11) O32_2 0.040(11) 0.036(11) 0.044(11) 0.013(9) -0.018(9) 0.009(9) O33_2 0.036(11) 0.033(10) 0.056(13) 0.006(9) -0.002(10) 0.002(9) O34_2 0.033(11) 0.062(12) 0.031(11) 0.007(9) -0.020(9) -0.009(9) O35_2 0.029(10) 0.040(10) 0.024(10) 0.017(8) -0.005(8) 0.001(8) O36_2 0.021(9) 0.030(9) 0.029(10) -0.005(8) -0.011(8) -0.001(7) O37_2 0.036(10) 0.029(10) 0.024(10) -0.010(8) -0.012(8) 0.003(8) O38_2 0.021(10) 0.039(10) 0.042(11) 0.011(9) -0.007(8) 0.008(8) O39_2 0.048(11) 0.036(10) 0.017(9) 0.000(8) -0.010(8) -0.012(9) O40_2 0.041(11) 0.032(10) 0.029(10) 0.006(8) -0.006(8) -0.011(8) O41_2 0.028(10) 0.042(11) 0.035(11) -0.005(8) -0.012(8) 0.015(8) O42_2 0.024(10) 0.034(10) 0.032(10) -0.001(8) 0.000(8) -0.002(8) O43_2 0.035(11) 0.050(11) 0.018(9) -0.005(8) -0.012(8) 0.006(9) O44_2 0.027(11) 0.060(12) 0.042(12) -0.003(10) 0.005(9) 0.007(9) O46_2 0.034(10) 0.036(10) 0.019(9) -0.015(8) -0.010(8) 0.011(8) O47_2 0.028(10) 0.029(9) 0.036(10) -0.010(8) -0.012(8) 0.005(8) O48_2 0.052(12) 0.039(11) 0.027(10) 0.000(9) -0.002(9) 0.012(9) O49_2 0.037(11) 0.044(11) 0.038(11) -0.008(9) -0.008(9) 0.003(9) O50_2 0.042(13) 0.057(14) 0.095(17) 0.002(12) 0.007(12) 0.000(11) O51_2 0.036(11) 0.019(9) 0.042(11) 0.004(8) -0.005(9) -0.006(8) O52_2 0.051(12) 0.035(10) 0.041(11) 0.000(9) -0.011(9) -0.017(9) O53_2 0.052(14) 0.101(17) 0.043(13) 0.007(12) -0.027(11) 0.005(12) O54_2 0.025(10) 0.032(10) 0.030(10) -0.009(8) 0.000(8) 0.002(8) O55_2 1.7(3) 0.023(17) 0.028(18) 0.011(14) 0.08(5) 0.12(5) O56_2 0.030(10) 0.032(10) 0.026(10) -0.006(8) -0.010(8) 0.007(8) O57_2 0.022(10) 0.030(10) 0.032(10) 0.004(8) -0.008(8) 0.002(8) O59_2 0.041(12) 0.047(12) 0.033(11) 0.014(10) 0.002(9) -0.007(11) O60_2 0.035(11) 0.035(10) 0.026(10) 0.000(8) 0.017(8) 0.006(8) O61_2 0.036(11) 0.034(10) 0.033(10) -0.009(8) -0.004(8) 0.003(8) C142_2 0.08(3) 0.07(2) 0.07(2) -0.003(18) 0.01(2) -0.036(19) C145_2 0.26(7) 0.17(5) 0.16(5) 0.05(4) 0.17(5) 0.09(5) C162_2 0.06(3) 0.10(3) 0.15(4) -0.02(3) -0.02(3) -0.02(2) C164_2 0.11(3) 0.09(3) 0.05(2) 0.02(2) 0.03(2) 0.02(2) C178_2 0.09(3) 0.06(2) 0.09(3) -0.016(19) -0.04(2) -0.003(19) C190_2 0.12(3) 0.05(2) 0.08(3) -0.025(19) -0.02(2) 0.01(2) C199_2 0.06(2) 0.05(2) 0.07(2) -0.041(18) -0.032(17) 0.023(16) C238_2 0.18(4) 0.08(3) 0.07(3) -0.02(2) 0.03(3) 0.07(3) S5_3 0.030(4) 0.048(5) 0.030(4) -0.008(4) -0.006(3) -0.010(4) S6_3 0.031(4) 0.042(4) 0.024(4) -0.010(3) -0.001(3) 0.002(3) S7_3 0.041(5) 0.070(6) 0.033(4) 0.005(4) 0.001(4) -0.008(4) S8_3 0.042(5) 0.090(7) 0.042(5) 0.022(5) -0.008(4) -0.016(5) S9_3 0.060(6) 0.066(6) 0.041(5) 0.013(4) -0.011(4) 0.005(5) S10_3 0.045(5) 0.056(5) 0.062(6) -0.010(4) -0.017(5) -0.013(4) S11_3 0.040(5) 0.111(8) 0.064(6) -0.009(6) 0.000(5) 0.022(5) S12_3 0.153(11) 0.076(7) 0.056(7) 0.020(5) -0.048(7) -0.009(7) O62_3 0.024(10) 0.045(11) 0.023(10) -0.003(8) 0.011(8) -0.012(8) O63_3 0.027(11) 0.052(11) 0.034(11) -0.014(9) -0.007(8) 0.005(9) O64_3 0.042(12) 0.046(11) 0.032(11) -0.013(9) -0.009(9) -0.006(9) O65_3 0.048(12) 0.043(11) 0.021(10) -0.008(8) 0.005(9) 0.004(9) O66_3 0.035(11) 0.049(12) 0.036(11) -0.007(9) 0.010(9) -0.012(9) O67_3 0.079(15) 0.036(11) 0.049(13) 0.001(9) -0.012(11) -0.018(11) O69_3 0.055(14) 0.084(16) 0.065(15) 0.005(12) -0.028(12) -0.011(12) O70_3 0.036(13) 0.100(16) 0.038(12) 0.019(11) -0.011(10) -0.005(11) O71_3 0.054(15) 0.106(18) 0.045(13) 0.005(12) 0.007(11) 0.000(13) O72_3 0.053(14) 0.095(17) 0.054(14) 0.010(12) 0.025(12) 0.017(12) O73_3 0.067(15) 0.049(13) 0.100(18) 0.023(12) 0.022(13) 0.011(12) O75_3 0.044(13) 0.087(16) 0.072(15) -0.020(12) 0.001(12) -0.034(11) O76_3 0.050(14) 0.053(14) 0.13(2) -0.016(14) -0.028(14) -0.010(11) O77_3 0.15(2) 0.035(12) 0.053(14) 0.008(10) -0.048(14) 0.003(13) O80_3 0.073(16) 0.066(16) 0.079(16) 0.034(13) -0.021(13) -0.007(12) O82_3 0.023(10) 0.039(10) 0.032(10) -0.011(8) -0.007(8) 0.003(8) O84_3 0.18(3) 0.09(2) 0.12(3) 0.004(18) -0.04(2) 0.008(19) O86_3 0.028(10) 0.032(10) 0.041(11) -0.017(8) -0.003(8) 0.005(8) O1W_3 0.25(5) 0.16(4) 0.31(6) 0.02(4) 0.00(5) -0.01(4) O2W_3 0.16(4) 0.29(6) 0.55(11) 0.00(6) 0.18(6) -0.04(4) C248_3 0.05(2) 0.06(2) 0.06(2) -0.012(17) -0.017(17) 0.020(17) C262_3 0.09(3) 0.07(2) 0.11(3) 0.01(2) 0.03(2) -0.04(2) C265_3 0.09(3) 0.11(3) 0.09(3) 0.01(3) -0.01(3) -0.02(3) C283_3 0.05(2) 0.27(6) 0.08(3) -0.02(3) -0.01(2) 0.08(3) C296_3 0.10(4) 0.11(4) 0.15(4) 0.02(3) 0.02(3) 0.03(3) C298_3 0.09(3) 0.13(4) 0.10(3) -0.02(3) -0.02(3) 0.01(3) C299_3 0.16(5) 0.10(3) 0.08(3) 0.01(3) 0.05(3) 0.02(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 Sn1_1 O4_1 1.992(13) . ? Sn1_1 O11_1 2.024(15) . ? Sn1_1 O23_1 2.047(14) . ? Sn1_1 O14_1 2.054(14) . ? Sn1_1 O82_3 2.101(15) . ? Sn1_1 O12_1 2.113(15) . ? Sn1_1 Sn5_1 3.211(2) . ? Sn1_1 Sn6_1 3.268(2) . ? Sn1_1 Sn8_1 3.291(2) . ? Sn2_1 O10_1 2.067(14) . ? Sn2_1 O15_1 2.085(14) . ? Sn2_1 O25_1 2.092(14) . ? Sn2_1 C1_1 2.14(3) . ? Sn2_1 O9_1 2.155(15) . ? Sn2_1 O13_1 2.165(15) . ? Sn3_1 O22_1 2.061(16) . ? Sn3_1 O11_1 2.086(16) . ? Sn3_1 O24_1 2.118(16) . ? Sn3_1 C16_1 2.13(2) . ? Sn3_1 O20_1 2.143(15) . ? Sn3_1 O2_1 2.183(15) . ? Sn4_1 O17_1 1.897(15) . ? Sn4_1 O20_1 1.965(15) . ? Sn4_1 O9_1 2.055(14) . ? Sn4_1 O25_1 2.061(15) . ? Sn4_1 O12_1 2.085(15) . ? Sn4_1 O16_1 2.106(15) . ? Sn5_1 O7_1 1.975(14) . ? Sn5_1 O13_1 2.027(15) . ? Sn5_1 O27_1 2.045(13) . ? Sn5_1 O12_1 2.060(15) . ? Sn5_1 O23_1 2.071(14) . ? Sn5_1 O28_1 2.123(17) . ? Sn5_1 H28A_1 2.1(2) . ? Sn6_1 O17_1 1.901(14) . ? Sn6_1 O11_1 2.063(15) . ? Sn6_1 O24_1 2.103(15) . ? Sn6_1 C76_1 2.12(2) . ? Sn6_1 O14_1 2.133(15) . ? Sn7_1 O4_1 1.938(14) . ? Sn7_1 O2_1 2.047(15) . ? Sn7_1 O22_1 2.068(15) . ? Sn7_1 C31_1 2.12(2) . ? Sn7_1 O3_1 2.172(16) . ? Sn8_1 O23_1 2.054(14) . ? Sn8_1 O82_3 2.109(16) . ? Sn8_1 O29_1 2.123(14) . ? Sn8_1 O26_1 2.152(16) . ? Sn8_1 C91_1 2.15(2) . ? Sn8_1 O8_1 2.192(14) . ? Sn8_1 H26B_1 1.57(7) . ? Sn9_1 O21_1 2.048(14) . ? Sn9_1 O16_1 2.049(14) . ? Sn9_1 O15_1 2.087(14) . ? Sn9_1 O30_1 2.104(16) . ? Sn9_1 C46_1 2.12(2) . ? Sn9_1 O9_1 2.422(15) . ? Sn10_1 O18_1 2.030(16) . ? Sn10_1 O27_1 2.097(14) . ? Sn10_1 C61_1 2.12(2) . ? Sn10_1 O21_1 2.132(15) . ? Sn10_1 O9_1 2.159(14) . ? Sn10_1 O10_1 2.163(15) . ? S1_1 O19_1 1.424(19) . ? S1_1 O6_1 1.459(18) . ? S1_1 O29_1 1.507(15) . ? S1_1 C106_1 1.76(3) . ? S2_1 O5_1 1.442(18) . ? S2_1 O1_1 1.450(18) . ? S2_1 O3_1 1.492(17) . ? S2_1 C113_1 1.74(2) . ? O2_1 H2_1 0.9500 . ? O4_1 H4_1 0.9500 . ? O7_1 H7_1 0.8400 . ? O8_1 H8_1 0.8400 . ? O10_1 H10_1 0.9500 . ? O13_1 H13_1 0.9500 . ? O14_1 H14_1 0.9500 . ? O15_1 H15_1 0.9500 . ? O16_1 H16_1 0.9500 . ? O17_1 H17_1 0.9500 . ? O18_1 H18A_1 0.820(2) . ? O18_1 H18B_1 0.8203(14) . ? O20_1 H20_1 0.9500 . ? O21_1 H21_1 0.9500 . ? O22_1 H_1 0.9500 . ? O24_1 H24_1 0.9500 . ? O25_1 H25_1 0.9500 . ? O26_1 H26A_1 0.83(3) . ? O26_1 H26B_1 0.821(10) . ? O27_1 H27_1 0.9500 . ? O28_1 H28A_1 0.822(13) . ? O28_1 H28B_1 0.8199(19) . ? O30_1 H30_1 0.8400 . ? C1_1 C6_1 1.38(3) . ? C1_1 C2_1 1.39(3) . ? C2_1 C3_1 1.40(3) . ? C2_1 C7_1 1.52(3) . ? C3_1 C4_1 1.35(3) . ? C3_1 H3_1 0.9500 . ? C4_1 C5_1 1.36(3) . ? C4_1 C10_1 1.54(4) . ? C5_1 C6_1 1.43(4) . ? C5_1 H5_1 0.9500 . ? C6_1 C13_1 1.53(3) . ? C7_1 C8_1 1.53(3) . ? C7_1 C9_1 1.58(3) . ? C7_1 H7'_1 1.0000 . ? C8_1 H8A_1 0.9800 . ? C8_1 H8B_1 0.9800 . ? C8_1 H8C_1 0.9800 . ? C9_1 H9A_1 0.9800 . ? C9_1 H9B_1 0.9800 . ? C9_1 H9C_1 0.9800 . ? C10_1 C12_1 1.503(3) . ? C10_1 C11_1 1.515(11) . ? C10_1 H10'_1 1.0000 . ? C11_1 H11A_1 0.9800 . ? C11_1 H11B_1 0.9800 . ? C11_1 H11C_1 0.9800 . ? C12_1 H12A_1 0.9800 . ? C12_1 H12B_1 0.9800 . ? C12_1 H12C_1 0.9800 . ? C13_1 C15_1 1.50(3) . ? C13_1 C14_1 1.52(3) . ? C13_1 H13'_1 1.0000 . ? C14_1 H14A_1 0.9800 . ? C14_1 H14B_1 0.9800 . ? C14_1 H14C_1 0.9800 . ? C15_1 H15A_1 0.9800 . ? C15_1 H15B_1 0.9800 . ? C15_1 H15C_1 0.9800 . ? C16_1 C21_1 1.38(3) . ? C16_1 C17_1 1.4001(13) . ? C17_1 C18_1 1.37(3) . ? C17_1 C22_1 1.53(3) . ? C18_1 C19_1 1.40(4) . ? C18_1 H18_1 0.9500 . ? C19_1 C20_1 1.45(4) . ? C19_1 C25_1 1.52(4) . ? C20_1 C21_1 1.39(3) . ? C20_1 H20'_1 0.9500 . ? C21_1 C28_1 1.52(3) . ? C22_1 C23_1 1.4999(13) . ? C22_1 C24_1 1.4999(13) . ? C22_1 H22_1 1.0000 . ? C23_1 H23A_1 0.9800 . ? C23_1 H23B_1 0.9800 . ? C23_1 H23C_1 0.9800 . ? C24_1 H24A_1 0.9800 . ? C24_1 H24B_1 0.9800 . ? C24_1 H24C_1 0.9800 . ? C25_1 C27_1 1.51(4) . ? C25_1 C26_1 1.55(4) . ? C25_1 H25'_1 1.0000 . ? C26_1 H2'A_1 0.9800 . ? C26_1 H2'B_1 0.9800 . ? C26_1 H2'C_1 0.9800 . ? C27_1 H27A_1 0.9800 . ? C27_1 H27B_1 0.9800 . ? C27_1 H27C_1 0.9800 . ? C28_1 C30_1 1.51(3) . ? C28_1 C29_1 1.51(4) . ? C28_1 H28_1 1.0000 . ? C29_1 H29A_1 0.9800 . ? C29_1 H29B_1 0.9800 . ? C29_1 H29C_1 0.9800 . ? C30_1 H30A_1 0.9800 . ? C30_1 H30B_1 0.9800 . ? C30_1 H30C_1 0.9800 . ? C31_1 C32_1 1.41(3) . ? C31_1 C36_1 1.42(3) . ? C32_1 C33_1 1.38(3) . ? C32_1 C37_1 1.48(3) . ? C33_1 C34_1 1.33(4) . ? C33_1 H33_1 0.9500 . ? C34_1 C35_1 1.44(4) . ? C34_1 C40_1 1.63(5) . ? C35_1 C36_1 1.43(4) . ? C35_1 H35_1 0.9500 . ? C36_1 C43_1 1.49(3) . ? C37_1 C38_1 1.50(3) . ? C37_1 C39_1 1.55(3) . ? C37_1 H37_1 1.0000 . ? C38_1 H38A_1 0.9800 . ? C38_1 H38B_1 0.9800 . ? C38_1 H38C_1 0.9800 . ? C39_1 H39A_1 0.9800 . ? C39_1 H39B_1 0.9800 . ? C39_1 H39C_1 0.9800 . ? C40_1 C42_1 1.5007(16) . ? C40_1 C41_1 1.5004(17) . ? C40_1 H40_1 1.0000 . ? C41_1 H41A_1 0.9800 . ? C41_1 H41B_1 0.9800 . ? C41_1 H41C_1 0.9800 . ? C42_1 H42A_1 0.9800 . ? C42_1 H42B_1 0.9800 . ? C42_1 H42C_1 0.9800 . ? C43_1 C44_1 1.51(4) . ? C43_1 C45_1 1.51(4) . ? C43_1 H43_1 1.0000 . ? C44_1 H44A_1 0.9800 . ? C44_1 H44B_1 0.9800 . ? C44_1 H44C_1 0.9800 . ? C45_1 H45A_1 0.9800 . ? C45_1 H45B_1 0.9800 . ? C45_1 H45C_1 0.9800 . ? C46_1 C51_1 1.40(3) . ? C46_1 C47_1 1.42(3) . ? C47_1 C48_1 1.38(3) . ? C47_1 C52_1 1.56(3) . ? C48_1 C49_1 1.43(4) . ? C48_1 H48_1 0.9500 . ? C49_1 C50_1 1.36(4) . ? C49_1 C55_1 1.51(4) . ? C50_1 C51_1 1.41(3) . ? C50_1 H50_1 0.9500 . ? C51_1 C58_1 1.49(3) . ? C52_1 C53_1 1.5000(13) . ? C52_1 C54_1 1.5001(13) . ? C52_1 H52_1 1.0000 . ? C53_1 H53A_1 0.9800 . ? C53_1 H53B_1 0.9800 . ? C53_1 H53C_1 0.9800 . ? C54_1 H54A_1 0.9800 . ? C54_1 H54B_1 0.9800 . ? C54_1 H54C_1 0.9800 . ? C55_1 C56_1 1.5000(13) . ? C55_1 C57_1 1.58(4) . ? C55_1 H55_1 1.0000 . ? C56_1 H56A_1 0.9800 . ? C56_1 H56B_1 0.9800 . ? C56_1 H56C_1 0.9800 . ? C57_1 H57A_1 0.9800 . ? C57_1 H57B_1 0.9800 . ? C57_1 H57C_1 0.9800 . ? C58_1 C59_1 1.5001(13) . ? C58_1 C60_1 1.53(3) . ? C58_1 H58_1 1.0000 . ? C59_1 H59A_1 0.9800 . ? C59_1 H59B_1 0.9800 . ? C59_1 H59C_1 0.9800 . ? C60_1 H60A_1 0.9800 . ? C60_1 H60B_1 0.9800 . ? C60_1 H60C_1 0.9800 . ? C61_1 C66_1 1.4000(13) . ? C61_1 C62_1 1.43(3) . ? C62_1 C63_1 1.41(4) . ? C62_1 C67_1 1.52(3) . ? C63_1 C64_1 1.48(4) . ? C63_1 H63_1 0.9500 . ? C64_1 C65_1 1.4001(13) . ? C64_1 C70_1 1.5002(13) . ? C65_1 C66_1 1.4000(13) . ? C65_1 H65_1 0.9500 . ? C66_1 C73_1 1.4999(13) . ? C67_1 C68_1 1.47(3) . ? C67_1 C69_1 1.5000(13) . ? C67_1 H67_1 1.0000 . ? C68_1 H68A_1 0.9800 . ? C68_1 H68B_1 0.9800 . ? C68_1 H68C_1 0.9800 . ? C69_1 H69A_1 0.9800 . ? C69_1 H69B_1 0.9800 . ? C69_1 H69C_1 0.9800 . ? C70_1 C72_1 1.5001(9) . ? C70_1 C71_1 1.4999(14) . ? C70_1 H70_1 1.0000 . ? C71_1 H71A_1 0.9800 . ? C71_1 H71B_1 0.9800 . ? C71_1 H71C_1 0.9800 . ? C72_1 H72A_1 0.9800 . ? C72_1 H72B_1 0.9800 . ? C72_1 H72C_1 0.9800 . ? C73_1 C75_1 1.5001(13) . ? C73_1 C74_1 1.5000(13) . ? C73_1 H73_1 1.0000 . ? C74_1 H74A_1 0.9800 . ? C74_1 H74B_1 0.9800 . ? C74_1 H74C_1 0.9800 . ? C75_1 H75A_1 0.9800 . ? C75_1 H75B_1 0.9800 . ? C75_1 H75C_1 0.9800 . ? C76_1 C77_1 1.35(3) . ? C76_1 C81_1 1.37(3) . ? C77_1 C78_1 1.38(4) . ? C77_1 C82_1 1.4999(13) . ? C78_1 C79_1 1.37(4) . ? C78_1 H78_1 0.9500 . ? C79_1 C80_1 1.36(4) . ? C79_1 C85_1 1.5002(14) . ? C80_1 C81_1 1.42(4) . ? C80_1 H80_1 0.9500 . ? C81_1 C88_1 1.56(4) . ? C82_1 C84_1 1.45(4) . ? C82_1 C83_1 1.54(4) . ? C82_1 H82_1 1.0000 . ? C83_1 H83A_1 0.9800 . ? C83_1 H83B_1 0.9800 . ? C83_1 H83C_1 0.9800 . ? C84_1 H84A_1 0.9800 . ? C84_1 H84B_1 0.9800 . ? C84_1 H84C_1 0.9800 . ? C85_1 C86_1 1.5001(17) . ? C85_1 C87_1 1.5001(13) . ? C85_1 H85_1 1.0000 . ? C86_1 H86A_1 0.9800 . ? C86_1 H86B_1 0.9800 . ? C86_1 H86C_1 0.9800 . ? C87_1 H87A_1 0.9800 . ? C87_1 H87B_1 0.9800 . ? C87_1 H87C_1 0.9800 . ? C88_1 C90_1 1.53(4) . ? C88_1 C89_1 1.59(4) . ? C88_1 H88_1 1.0000 . ? C89_1 H89A_1 0.9800 . ? C89_1 H89B_1 0.9800 . ? C89_1 H89C_1 0.9800 . ? C90_1 H90A_1 0.9800 . ? C90_1 H90B_1 0.9800 . ? C90_1 H90C_1 0.9800 . ? C91_1 C92_1 1.40(3) . ? C91_1 C96_1 1.43(3) . ? C92_1 C93_1 1.45(3) . ? C92_1 C97_1 1.50(3) . ? C93_1 C94_1 1.38(4) . ? C93_1 H93_1 0.9500 . ? C94_1 C95_1 1.38(3) . ? C94_1 C100_1 1.52(4) . ? C95_1 C96_1 1.34(3) . ? C95_1 H95_1 0.9500 . ? C96_1 C103_1 1.53(3) . ? C97_1 C99_1 1.53(3) . ? C97_1 C98_1 1.53(3) . ? C97_1 H97_1 1.0000 . ? C98_1 H98A_1 0.9800 . ? C98_1 H98B_1 0.9800 . ? C98_1 H98C_1 0.9800 . ? C99_1 H99A_1 0.9800 . ? C99_1 H99B_1 0.9800 . ? C99_1 H99C_1 0.9800 . ? C100_1 C102_1 1.51(4) . ? C100_1 C101_1 1.53(4) . ? C100_1 H100_1 1.0000 . ? C101_1 H01A_1 0.9800 . ? C101_1 H01B_1 0.9800 . ? C101_1 H01C_1 0.9800 . ? C102_1 H02A_1 0.9800 . ? C102_1 H02B_1 0.9800 . ? C102_1 H02C_1 0.9800 . ? C103_1 C104_1 1.49(3) . ? C103_1 C105_1 1.53(4) . ? C103_1 H103_1 1.0000 . ? C104_1 H04A_1 0.9800 . ? C104_1 H04B_1 0.9800 . ? C104_1 H04C_1 0.9800 . ? C105_1 H05A_1 0.9800 . ? C105_1 H05B_1 0.9800 . ? C105_1 H05C_1 0.9800 . ? C106_1 C107_1 1.33(3) . ? C106_1 C111_1 1.3999(13) . ? C107_1 C108_1 1.43(4) . ? C107_1 H107_1 0.9500 . ? C108_1 C109_1 1.34(4) . ? C108_1 H108_1 0.9500 . ? C109_1 C110_1 1.38(4) . ? C109_1 C112_1 1.50(4) . ? C110_1 C111_1 1.4000(13) . ? C110_1 H110_1 0.9500 . ? C111_1 H111_1 0.9500 . ? C112_1 H12D_1 0.9800 . ? C112_1 H12E_1 0.9800 . ? C112_1 H12F_1 0.9800 . ? C113_1 C114_1 1.36(3) . ? C113_1 C118_1 1.38(3) . ? C114_1 C115_1 1.40(3) . ? C114_1 H114_1 0.9500 . ? C115_1 C116_1 1.37(4) . ? C115_1 H115_1 0.9500 . ? C116_1 C117_1 1.43(4) . ? C116_1 C119_1 1.53(3) . ? C117_1 C118_1 1.38(3) . ? C117_1 H117_1 0.9500 . ? C118_1 H118_1 0.9500 . ? C119_1 H19A_1 0.9800 . ? C119_1 H19B_1 0.9800 . ? C119_1 H19C_1 0.9800 . ? Sn11_2 O39_2 1.927(14) . ? Sn11_2 O41_2 2.013(15) . ? Sn11_2 O36_2 2.066(15) . ? Sn11_2 O37_2 2.073(15) . ? Sn11_2 O54_2 2.087(16) . ? Sn11_2 O47_2 2.102(15) . ? Sn12_2 O36_2 2.097(15) . ? Sn12_2 O51_2 2.113(14) . ? Sn12_2 O49_2 2.116(17) . ? Sn12_2 C120_2 2.15(2) . ? Sn12_2 O37_2 2.152(15) . ? Sn12_2 O42_2 2.185(16) . ? Sn13_2 O43_2 1.949(13) . ? Sn13_2 O57_2 2.030(15) . ? Sn13_2 O60_2 2.046(15) . ? Sn13_2 O35_2 2.059(15) . ? Sn13_2 O38_2 2.091(15) . ? Sn13_2 O54_2 2.106(15) . ? Sn13_2 Sn18_2 3.208(3) . ? Sn13_2 Sn16_2 3.276(2) . ? Sn14_2 O46_2 2.048(14) . ? Sn14_2 O47_2 2.050(15) . ? Sn14_2 O49_2 2.096(16) . ? Sn14_2 O48_2 2.143(17) . ? Sn14_2 C165_2 2.15(3) . ? Sn14_2 O37_2 2.415(15) . ? Sn15_2 O57_2 2.062(14) . ? Sn15_2 O45_2 2.080(15) . ? Sn15_2 O40_2 2.131(15) . ? Sn15_2 C180_2 2.15(2) . ? Sn15_2 O41_2 2.159(16) . ? Sn15_2 O52_2 2.172(17) . ? Sn16_2 O39_2 1.950(15) . ? Sn16_2 O57_2 2.073(15) . ? Sn16_2 O60_2 2.098(16) . ? Sn16_2 O40_2 2.100(15) . ? Sn16_2 C135_2 2.11(2) . ? Sn17_2 O61_2 2.025(16) . ? Sn17_2 O51_2 2.089(15) . ? Sn17_2 O46_2 2.118(15) . ? Sn17_2 O56_2 2.123(15) . ? Sn17_2 C195_2 2.13(2) . ? Sn17_2 O37_2 2.143(14) . ? Sn18_2 O58_2 1.982(15) . ? Sn18_2 O42_2 2.013(15) . ? Sn18_2 O56_2 2.018(14) . ? Sn18_2 O54_2 2.053(15) . ? Sn18_2 O35_2 2.059(15) . ? Sn18_2 O59_2 2.107(17) . ? Sn19_2 O55_2 1.91(3) . ? Sn19_2 O35_2 2.059(15) . ? Sn19_2 O38_2 2.086(16) . ? Sn19_2 C210_2 2.13(3) . ? Sn19_2 O44_2 2.170(17) . ? Sn19_2 O53_2 2.182(19) . ? Sn20_2 O43_2 1.943(15) . ? Sn20_2 O52_2 2.032(17) . ? Sn20_2 O45_2 2.085(16) . ? Sn20_2 C150_2 2.15(3) . ? Sn20_2 O34_2 2.183(16) . ? S3_2 O50_2 1.445(19) . ? S3_2 O31_2 1.45(2) . ? S3_2 O34_2 1.499(18) . ? S3_2 C225_2 1.75(3) . ? S4_2 O32_2 1.429(16) . ? S4_2 O33_2 1.451(18) . ? S4_2 O44_2 1.523(19) . ? S4_2 C232_2 1.73(2) . ? O36_2 H36_2 0.9500 . ? O38_2 H38_2 0.9500 . ? O39_2 H39_2 0.9500 . ? O40_2 H40_2 0.9500 . ? O41_2 H41_2 0.9500 . ? O42_2 H42_2 0.9500 . ? O43_2 H43_2 0.9500 . ? O45_2 H45_2 0.9500 . ? O46_2 H46_2 0.9500 . ? O47_2 H47_2 0.9500 . ? O48_2 H48A_2 0.8201(13) . ? O48_2 H48B_2 0.8199(17) . ? O49_2 H49_2 0.9500 . ? O51_2 H51_2 0.9500 . ? O52_2 H52_2 0.9500 . ? O53_2 H53A_2 0.8200(17) . ? O53_2 H53B_2 0.8201(13) . ? O55_2 H55_2 0.8400 . ? O56_2 H56_2 0.9500 . ? O58_2 H58_2 0.8400 . ? O59_2 H59A_2 0.820(3) . ? O59_2 H59B_2 0.820(2) . ? O60_2 H60_2 0.9500 . ? O61_2 H61_2 0.8400 . ? C120_2 C125_2 1.31(3) . ? C120_2 C121_2 1.42(3) . ? C121_2 C122_2 1.43(3) . ? C121_2 C126_2 1.45(3) . ? C122_2 C123_2 1.29(4) . ? C122_2 H122_2 0.9500 . ? C123_2 C124_2 1.4000(13) . ? C123_2 C129_2 1.48(4) . ? C124_2 C125_2 1.46(4) . ? C124_2 H124_2 0.9500 . ? C125_2 C132_2 1.54(4) . ? C126_2 C128_2 1.51(4) . ? C126_2 C127_2 1.60(4) . ? C126_2 H126_2 1.0000 . ? C127_2 H27A_2 0.9800 . ? C127_2 H27B_2 0.9800 . ? C127_2 H27C_2 0.9800 . ? C128_2 H28A_2 0.9800 . ? C128_2 H28B_2 0.9800 . ? C128_2 H28C_2 0.9800 . ? C129_2 C130_2 1.4997(13) . ? C129_2 C131_2 1.4997(14) . ? C129_2 H129_2 1.0000 . ? C130_2 H30A_2 0.9800 . ? C130_2 H30B_2 0.9800 . ? C130_2 H30C_2 0.9800 . ? C131_2 H31A_2 0.9800 . ? C131_2 H31B_2 0.9800 . ? C131_2 H31C_2 0.9800 . ? C132_2 C133_2 1.45(4) . ? C132_2 C134_2 1.61(4) . ? C132_2 H132_2 1.0000 . ? C133_2 H33A_2 0.9800 . ? C133_2 H33B_2 0.9800 . ? C133_2 H33C_2 0.9800 . ? C134_2 H34A_2 0.9800 . ? C134_2 H34B_2 0.9800 . ? C134_2 H34C_2 0.9800 . ? C135_2 C140_2 1.35(3) . ? C135_2 C136_2 1.38(3) . ? C136_2 C137_2 1.40(3) . ? C136_2 C141_2 1.53(4) . ? C137_2 C138_2 1.43(4) . ? C137_2 H137_2 0.9500 . ? C138_2 C139_2 1.4001(13) . ? C138_2 C144_2 1.58(4) . ? C139_2 C140_2 1.36(3) . ? C139_2 H139_2 0.9500 . ? C140_2 C147_2 1.4998(13) . ? C141_2 C142_2 1.52(4) . ? C141_2 C143_2 1.54(4) . ? C141_2 H141_2 1.0000 . ? C142_2 H42A_2 0.9800 . ? C142_2 H42B_2 0.9800 . ? C142_2 H42C_2 0.9800 . ? C143_2 H43A_2 0.9800 . ? C143_2 H43B_2 0.9800 . ? C143_2 H43C_2 0.9800 . ? C144_2 C145_2 1.5000(13) . ? C144_2 C146_2 1.5001(14) . ? C144_2 H144_2 1.0000 . ? C145_2 H45A_2 0.9800 . ? C145_2 H45B_2 0.9800 . ? C145_2 H45C_2 0.9800 . ? C146_2 H46A_2 0.9800 . ? C146_2 H46B_2 0.9800 . ? C146_2 H46C_2 0.9800 . ? C147_2 C148_2 1.40(4) . ? C147_2 C149_2 1.55(5) . ? C147_2 H147_2 1.0000 . ? C148_2 H4'A_2 0.9800 . ? C148_2 H4'B_2 0.9800 . ? C148_2 H4'C_2 0.9800 . ? C149_2 H49A_2 0.9800 . ? C149_2 H49B_2 0.9800 . ? C149_2 H49C_2 0.9800 . ? C150_2 C155_2 1.33(3) . ? C150_2 C151_2 1.43(4) . ? C151_2 C152_2 1.45(4) . ? C151_2 C156_2 1.53(4) . ? C152_2 C153_2 1.41(4) . ? C152_2 H152_2 0.9500 . ? C153_2 C154_2 1.3999(13) . ? C153_2 C159_2 1.5000(13) . ? C154_2 C155_2 1.35(4) . ? C154_2 H154_2 0.9500 . ? C155_2 C162_2 1.4997(13) . ? C156_2 C157_2 1.48(4) . ? C156_2 C158_2 1.52(4) . ? C156_2 H156_2 1.0000 . ? C157_2 H57A_2 0.9800 . ? C157_2 H57B_2 0.9800 . ? C157_2 H57C_2 0.9800 . ? C158_2 H58A_2 0.9800 . ? C158_2 H58B_2 0.9800 . ? C158_2 H58C_2 0.9800 . ? C159_2 C161_2 1.5006(14) . ? C159_2 C160_2 1.4996(13) . ? C159_2 H159_2 1.0000 . ? C160_2 H60A_2 0.9800 . ? C160_2 H60B_2 0.9800 . ? C160_2 H60C_2 0.9800 . ? C161_2 H61A_2 0.9800 . ? C161_2 H61B_2 0.9800 . ? C161_2 H61C_2 0.9800 . ? C162_2 C163_2 1.5000(13) . ? C162_2 C164_2 1.5000(13) . ? C162_2 H162_2 1.0000 . ? C163_2 H63A_2 0.9800 . ? C163_2 H63B_2 0.9800 . ? C163_2 H63C_2 0.9800 . ? C164_2 H64A_2 0.9800 . ? C164_2 H64B_2 0.9800 . ? C164_2 H64C_2 0.9800 . ? C165_2 C166_2 1.37(3) . ? C165_2 C170_2 1.48(4) . ? C166_2 C167_2 1.4000(13) . ? C166_2 C171_2 1.51(3) . ? C167_2 C168_2 1.36(4) . ? C167_2 H167_2 0.9500 . ? C168_2 C169_2 1.4001(13) . ? C168_2 C174_2 1.51(4) . ? C169_2 C170_2 1.38(4) . ? C169_2 H169_2 0.9500 . ? C170_2 C177_2 1.49(4) . ? C171_2 C173_2 1.4999(13) . ? C171_2 C172_2 1.4998(13) . ? C171_2 H171_2 1.0000 . ? C172_2 H72A_2 0.9800 . ? C172_2 H72B_2 0.9800 . ? C172_2 H72C_2 0.9800 . ? C173_2 H73A_2 0.9800 . ? C173_2 H73B_2 0.9800 . ? C173_2 H73C_2 0.9800 . ? C174_2 C175_2 1.45(5) . ? C174_2 C176_2 1.5001(13) . ? C174_2 H174_2 1.0000 . ? C175_2 H75A_2 0.9800 . ? C175_2 H75B_2 0.9800 . ? C175_2 H75C_2 0.9800 . ? C176_2 H76A_2 0.9800 . ? C176_2 H76B_2 0.9800 . ? C176_2 H76C_2 0.9800 . ? C177_2 C179_2 1.4999(9) . ? C177_2 C178_2 1.51(4) . ? C177_2 H177_2 1.0000 . ? C178_2 H78A_2 0.9800 . ? C178_2 H78B_2 0.9800 . ? C178_2 H78C_2 0.9800 . ? C179_2 H79A_2 0.9800 . ? C179_2 H79B_2 0.9800 . ? C179_2 H79C_2 0.9800 . ? C180_2 C185_2 1.35(3) . ? C180_2 C181_2 1.4000(13) . ? C181_2 C182_2 1.47(3) . ? C181_2 C186_2 1.5000(13) . ? C182_2 C183_2 1.35(4) . ? C182_2 H182_2 0.9500 . ? C183_2 C184_2 1.33(3) . ? C183_2 C189_2 1.53(4) . ? C184_2 C185_2 1.41(3) . ? C184_2 H184_2 0.9500 . ? C185_2 C192_2 1.51(4) . ? C186_2 C188_2 1.4997(13) . ? C186_2 C187_2 1.5001(13) . ? C186_2 H186_2 1.0000 . ? C187_2 H87A_2 0.9800 . ? C187_2 H87B_2 0.9800 . ? C187_2 H87C_2 0.9800 . ? C188_2 H88A_2 0.9800 . ? C188_2 H88B_2 0.9800 . ? C188_2 H88C_2 0.9800 . ? C189_2 C191_2 1.4999(13) . ? C189_2 C190_2 1.60(4) . ? C189_2 H189_2 1.0000 . ? C190_2 H90A_2 0.9800 . ? C190_2 H90B_2 0.9800 . ? C190_2 H90C_2 0.9800 . ? C191_2 H91A_2 0.9800 . ? C191_2 H91B_2 0.9800 . ? C191_2 H91C_2 0.9800 . ? C192_2 C193_2 1.51(4) . ? C192_2 C194_2 1.54(4) . ? C192_2 H192_2 1.0000 . ? C193_2 H93A_2 0.9800 . ? C193_2 H93B_2 0.9800 . ? C193_2 H93C_2 0.9800 . ? C194_2 H94A_2 0.9800 . ? C194_2 H94B_2 0.9800 . ? C194_2 H94C_2 0.9800 . ? C195_2 C196_2 1.40(3) . ? C195_2 C200_2 1.44(3) . ? C196_2 C197_2 1.38(3) . ? C196_2 C201_2 1.50(3) . ? C197_2 C198_2 1.40(3) . ? C197_2 H197_2 0.9500 . ? C198_2 C199_2 1.38(4) . ? C198_2 C204_2 1.5001(13) . ? C199_2 C200_2 1.41(3) . ? C199_2 H199_2 0.9500 . ? C200_2 C207_2 1.53(3) . ? C201_2 C202_2 1.52(4) . ? C201_2 C203_2 1.55(4) . ? C201_2 H201_2 1.0000 . ? C202_2 H02A_2 0.9800 . ? C202_2 H02B_2 0.9800 . ? C202_2 H02C_2 0.9800 . ? C203_2 H03A_2 0.9800 . ? C203_2 H03B_2 0.9800 . ? C203_2 H03C_2 0.9800 . ? C204_2 C205_2 1.4994(9) . ? C204_2 C206_2 1.4999(14) . ? C204_2 H204_2 1.0000 . ? C205_2 H05A_2 0.9800 . ? C205_2 H05B_2 0.9800 . ? C205_2 H05C_2 0.9800 . ? C206_2 H06A_2 0.9800 . ? C206_2 H06B_2 0.9800 . ? C206_2 H06C_2 0.9800 . ? C207_2 C208_2 1.48(3) . ? C207_2 C209_2 1.4999(13) . ? C207_2 H207_2 1.0000 . ? C208_2 H08A_2 0.9800 . ? C208_2 H08B_2 0.9800 . ? C208_2 H08C_2 0.9800 . ? C209_2 H09A_2 0.9800 . ? C209_2 H09B_2 0.9800 . ? C209_2 H09C_2 0.9800 . ? C210_2 C211_2 1.37(4) . ? C210_2 C215_2 1.39(3) . ? C211_2 C212_2 1.47(4) . ? C211_2 C216_2 1.56(4) . ? C212_2 C213_2 1.35(4) . ? C212_2 H212_2 0.9500 . ? C213_2 C214_2 1.37(4) . ? C213_2 C219_2 1.55(5) . ? C214_2 C215_2 1.44(4) . ? C214_2 H214_2 0.9500 . ? C215_2 C222_2 1.47(4) . ? C216_2 C218_2 1.5001(13) . ? C216_2 C217_2 1.52(4) . ? C216_2 H216_2 1.0000 . ? C217_2 H17D_2 0.9800 . ? C217_2 H17E_2 0.9800 . ? C217_2 H17F_2 0.9800 . ? C218_2 H18D_2 0.9800 . ? C218_2 H18E_2 0.9800 . ? C218_2 H18F_2 0.9800 . ? C219_2 C221_2 1.5000(13) . ? C219_2 C220_2 1.5001(15) . ? C219_2 H219_2 1.0000 . ? C220_2 H20D_2 0.9800 . ? C220_2 H20E_2 0.9800 . ? C220_2 H20F_2 0.9800 . ? C221_2 H21D_2 0.9800 . ? C221_2 H21E_2 0.9800 . ? C221_2 H21F_2 0.9800 . ? C222_2 C223_2 1.49(4) . ? C222_2 C224_2 1.55(4) . ? C222_2 H222_2 1.0000 . ? C223_2 H23D_2 0.9800 . ? C223_2 H23E_2 0.9800 . ? C223_2 H23F_2 0.9800 . ? C224_2 H24D_2 0.9800 . ? C224_2 H24E_2 0.9800 . ? C224_2 H24F_2 0.9800 . ? C225_2 C226_2 1.3999(13) . ? C225_2 C230_2 1.4000(13) . ? C226_2 C227_2 1.39(4) . ? C226_2 H226_2 0.9500 . ? C227_2 C228_2 1.28(6) . ? C227_2 H227_2 0.9500 . ? C228_2 C229_2 1.4000(13) . ? C228_2 C231_2 1.5005(13) . ? C229_2 C230_2 1.4002(13) . ? C229_2 H229_2 0.9500 . ? C230_2 H230_2 0.9500 . ? C231_2 H31D_2 0.9800 . ? C231_2 H31E_2 0.9800 . ? C231_2 H31F_2 0.9800 . ? C232_2 C233_2 1.3998(13) . ? C232_2 C237_2 1.3999(14) . ? C233_2 C234_2 1.39(4) . ? C233_2 H233_2 0.9500 . ? C234_2 C235_2 1.3998(13) . ? C234_2 H234_2 0.9500 . ? C235_2 C236_2 1.4000(13) . ? C235_2 C238_2 1.5001(13) . ? C236_2 C237_2 1.4005(14) . ? C236_2 H236_2 0.9500 . ? C237_2 H237_2 0.9500 . ? C238_2 H38D_2 0.9800 . ? C238_2 H38E_2 0.9800 . ? C238_2 H38F_2 0.9800 . ? S5_3 O66_3 1.413(17) . ? S5_3 O63_3 1.455(17) . ? S5_3 O64_3 1.464(18) . ? S5_3 C239_3 1.73(2) . ? S6_3 O62_3 1.443(16) . ? S6_3 O86_3 1.456(16) . ? S6_3 O65_3 1.475(17) . ? S6_3 C246_3 1.75(2) . ? S7_3 O77_3 1.424(19) . ? S7_3 O67_3 1.465(19) . ? S7_3 O68_3 1.47(2) . ? S7_3 C253_3 1.77(3) . ? S8_3 O74_3 1.42(2) . ? S8_3 O71_3 1.44(2) . ? S8_3 O73_3 1.46(2) . ? S8_3 C260_3 1.75(3) . ? S9_3 O80_3 1.41(2) . ? S9_3 O70_3 1.442(19) . ? S9_3 O79_3 1.49(2) . ? S9_3 C267_3 1.75(3) . ? S10_3 O69_3 1.42(2) . ? S10_3 O76_3 1.47(2) . ? S10_3 O75_3 1.47(2) . ? S10_3 C274_3 1.74(3) . ? S11_3 O81_3 1.4001(13) . ? S11_3 O72_3 1.43(2) . ? S11_3 O78_3 1.45(3) . ? S11_3 C281_3 1.71(3) . ? S12_3 O85_3 1.28(3) . ? S12_3 O84_3 1.4005(13) . ? S12_3 O83_3 1.48(3) . ? S12_3 C288_3 1.69(3) . ? O82_3 H82_3 0.9500 . ? O87_3 C304_3 1.4004(14) . ? O87_3 C305_3 1.4003(13) . ? O88_3 C306_3 1.4002(13) . ? O88_3 C309_3 1.4002(13) . ? C239_3 C240_3 1.37(3) . ? C239_3 C244_3 1.41(4) . ? C240_3 C241_3 1.41(3) . ? C240_3 H240_3 0.9500 . ? C241_3 C242_3 1.39(4) . ? C241_3 H241_3 0.9500 . ? C242_3 C243_3 1.27(4) . ? C242_3 C245_3 1.54(4) . ? C243_3 C244_3 1.47(4) . ? C243_3 H243_3 0.9500 . ? C244_3 H244_3 0.9500 . ? C245_3 H45A_3 0.9800 . ? C245_3 H54B_3 0.9800 . ? C245_3 H45C_3 0.9800 . ? C246_3 C251_3 1.34(3) . ? C246_3 C247_3 1.41(3) . ? C247_3 C248_3 1.38(4) . ? C247_3 H247_3 0.9500 . ? C248_3 C249_3 1.33(3) . ? C248_3 H248_3 0.9500 . ? C249_3 C250_3 1.37(4) . ? C249_3 C252_3 1.47(4) . ? C250_3 C251_3 1.43(4) . ? C250_3 H250_3 0.9500 . ? C251_3 H251_3 0.9500 . ? C252_3 H52A_3 0.9800 . ? C252_3 H52B_3 0.9800 . ? C252_3 H52C_3 0.9800 . ? C253_3 C254_3 1.33(3) . ? C253_3 C258_3 1.38(3) . ? C254_3 C255_3 1.42(4) . ? C254_3 H254_3 0.9500 . ? C255_3 C256_3 1.36(4) . ? C255_3 H255_3 0.9500 . ? C256_3 C257_3 1.35(3) . ? C256_3 C259_3 1.52(4) . ? C257_3 C258_3 1.38(4) . ? C257_3 H257_3 0.9500 . ? C258_3 H258_3 0.9500 . ? C259_3 H59A_3 0.9800 . ? C259_3 H59B_3 0.9800 . ? C259_3 H59C_3 0.9800 . ? C260_3 C265_3 1.36(4) . ? C260_3 C261_3 1.37(4) . ? C261_3 C262_3 1.48(4) . ? C261_3 H261_3 0.9500 . ? C262_3 C263_3 1.3999(14) . ? C262_3 H262_3 0.9500 . ? C263_3 C264_3 1.36(6) . ? C263_3 C266_3 1.5002(13) . ? C264_3 C265_3 1.45(5) . ? C264_3 H264_3 0.9500 . ? C265_3 H265_3 0.9500 . ? C266_3 H66A_3 0.9800 . ? C266_3 H66B_3 0.9800 . ? C266_3 H66C_3 0.9800 . ? C267_3 C272_3 1.37(3) . ? C267_3 C268_3 1.38(4) . ? C268_3 C269_3 1.49(5) . ? C268_3 H268_3 0.9500 . ? C269_3 C270_3 1.36(4) . ? C269_3 H269_3 0.9500 . ? C270_3 C271_3 1.30(4) . ? C270_3 C273_3 1.5001(13) . ? C271_3 C272_3 1.44(4) . ? C271_3 H271_3 0.9500 . ? C272_3 H272_3 0.9500 . ? C273_3 H73A_3 0.9800 . ? C273_3 H73B_3 0.9800 . ? C273_3 H73C_3 0.9800 . ? C274_3 C275_3 1.37(4) . ? C274_3 C279_3 1.42(4) . ? C275_3 C276_3 1.41(5) . ? C275_3 H275_3 0.9500 . ? C276_3 C277_3 1.32(4) . ? C276_3 H276_3 0.9500 . ? C277_3 C278_3 1.32(4) . ? C277_3 C280_3 1.4999(13) . ? C278_3 C279_3 1.43(5) . ? C278_3 H278_3 0.9500 . ? C279_3 H279_3 0.9500 . ? C280_3 H80A_3 0.9800 . ? C280_3 H90B_3 0.9800 . ? C280_3 H80C_3 0.9800 . ? C281_3 C282_3 1.4000(13) . ? C281_3 C286_3 1.4000(13) . ? C282_3 C283_3 1.3999(13) . ? C282_3 H282_3 0.9500 . ? C283_3 C284_3 1.3999(13) . ? C283_3 H283_3 0.9500 . ? C284_3 C285_3 1.3998(13) . ? C284_3 C287_3 1.47(4) . ? C285_3 C286_3 1.4001(13) . ? C285_3 H285_3 0.9500 . ? C286_3 H286_3 0.9500 . ? C287_3 H87A_3 0.9800 . ? C287_3 H87B_3 0.9800 . ? C287_3 H87C_3 0.9800 . ? C288_3 C293_3 1.4001(13) . ? C288_3 C289_3 1.3999(9) . ? C289_3 C290_3 1.4001(13) . ? C289_3 H289_3 0.9500 . ? C290_3 C291_3 1.3999(13) . ? C290_3 H290_3 0.9500 . ? C291_3 C292_3 1.3999(13) . ? C291_3 C294_3 1.5001(13) . ? C292_3 C293_3 1.4001(13) . ? C292_3 H292_3 0.9500 . ? C293_3 H293_3 0.9500 . ? C294_3 H94A_3 0.9800 . ? C294_3 H94B_3 0.9800 . ? C294_3 H94C_3 0.9800 . ? C295_3 C300_3 1.3999(13) . ? C295_3 C296_3 1.4001(13) . ? C295_3 C301_3 1.5000(13) . ? C296_3 C297_3 1.3999(9) . ? C296_3 H296_3 0.9500 . ? C297_3 C298_3 1.3998(9) . ? C297_3 H297_3 0.9500 . ? C298_3 C299_3 1.4002(13) . ? C298_3 H298_3 0.9500 . ? C299_3 C300_3 1.4000(9) . ? C299_3 H299_3 0.9500 . ? C300_3 H300_3 0.9500 . ? C301_3 H01A_3 0.9800 . ? C301_3 H01B_3 0.9800 . ? C301_3 H01C_3 0.9800 . ? C302_3 C303_3 1.5005(13) . ? C302_3 C305_3 1.5001(13) . ? C302_3 H02A_3 0.9900 . ? C302_3 H02B_3 0.9900 . ? C303_3 C304_3 1.5000(13) . ? C303_3 H03A_3 0.9900 . ? C303_3 H03B_3 0.9900 . ? C304_3 H04A_3 0.9900 . ? C304_3 H04B_3 0.9900 . ? C305_3 H05A_3 0.9900 . ? C305_3 H05B_3 0.9900 . ? C306_3 C307_3 1.5003(14) . ? C306_3 H06A_3 0.9900 . ? C306_3 H06B_3 0.9900 . ? C307_3 C308_3 1.5003(13) . ? C307_3 H07A_3 0.9900 . ? C307_3 H07B_3 0.9900 . ? C308_3 C309_3 1.4997(14) . ? C308_3 H08A_3 0.9900 . ? C308_3 H08B_3 0.9900 . ? C309_3 H09A_3 0.9900 . ? C309_3 H09B_3 0.9900 . ? 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 O4_1 Sn1_1 O11_1 94.4(6) . . ? O4_1 Sn1_1 O23_1 98.4(6) . . ? O11_1 Sn1_1 O23_1 163.0(5) . . ? O4_1 Sn1_1 O14_1 161.9(6) . . ? O11_1 Sn1_1 O14_1 75.4(6) . . ? O23_1 Sn1_1 O14_1 94.8(6) . . ? O4_1 Sn1_1 O82_3 86.2(6) . . ? O11_1 Sn1_1 O82_3 117.4(6) . . ? O23_1 Sn1_1 O82_3 74.8(6) . . ? O14_1 Sn1_1 O82_3 85.4(6) . . ? O4_1 Sn1_1 O12_1 98.8(6) . . ? O11_1 Sn1_1 O12_1 89.9(6) . . ? O23_1 Sn1_1 O12_1 77.2(6) . . ? O14_1 Sn1_1 O12_1 96.1(6) . . ? O82_3 Sn1_1 O12_1 152.0(6) . . ? O4_1 Sn1_1 Sn5_1 94.6(4) . . ? O11_1 Sn1_1 Sn5_1 129.0(4) . . ? O23_1 Sn1_1 Sn5_1 39.0(4) . . ? O14_1 Sn1_1 Sn5_1 103.4(4) . . ? O82_3 Sn1_1 Sn5_1 113.3(4) . . ? O12_1 Sn1_1 Sn5_1 39.1(4) . . ? O4_1 Sn1_1 Sn6_1 131.7(4) . . ? O11_1 Sn1_1 Sn6_1 37.3(4) . . ? O23_1 Sn1_1 Sn6_1 129.0(4) . . ? O14_1 Sn1_1 Sn6_1 39.6(4) . . ? O82_3 Sn1_1 Sn6_1 111.8(4) . . ? O12_1 Sn1_1 Sn6_1 85.4(4) . . ? Sn5_1 Sn1_1 Sn6_1 115.69(6) . . ? O4_1 Sn1_1 Sn8_1 87.9(4) . . ? O11_1 Sn1_1 Sn8_1 155.8(4) . . ? O23_1 Sn1_1 Sn8_1 36.7(4) . . ? O14_1 Sn1_1 Sn8_1 95.5(4) . . ? O82_3 Sn1_1 Sn8_1 38.7(4) . . ? O12_1 Sn1_1 Sn8_1 113.6(4) . . ? Sn5_1 Sn1_1 Sn8_1 74.62(6) . . ? Sn6_1 Sn1_1 Sn8_1 134.35(7) . . ? O10_1 Sn2_1 O15_1 90.3(6) . . ? O10_1 Sn2_1 O25_1 143.7(6) . . ? O15_1 Sn2_1 O25_1 91.9(6) . . ? O10_1 Sn2_1 C1_1 111.6(8) . . ? O15_1 Sn2_1 C1_1 104.1(8) . . ? O25_1 Sn2_1 C1_1 103.0(7) . . ? O10_1 Sn2_1 O9_1 73.5(6) . . ? O15_1 Sn2_1 O9_1 75.5(6) . . ? O25_1 Sn2_1 O9_1 72.1(6) . . ? C1_1 Sn2_1 O9_1 174.9(7) . . ? O10_1 Sn2_1 O13_1 85.3(6) . . ? O15_1 Sn2_1 O13_1 163.5(6) . . ? O25_1 Sn2_1 O13_1 82.5(6) . . ? C1_1 Sn2_1 O13_1 92.3(8) . . ? O9_1 Sn2_1 O13_1 88.0(6) . . ? O22_1 Sn3_1 O11_1 90.0(6) . . ? O22_1 Sn3_1 O24_1 158.0(6) . . ? O11_1 Sn3_1 O24_1 70.4(6) . . ? O22_1 Sn3_1 C16_1 101.3(7) . . ? O11_1 Sn3_1 C16_1 162.9(7) . . ? O24_1 Sn3_1 C16_1 100.1(7) . . ? O22_1 Sn3_1 O20_1 84.4(6) . . ? O11_1 Sn3_1 O20_1 84.1(6) . . ? O24_1 Sn3_1 O20_1 83.7(6) . . ? C16_1 Sn3_1 O20_1 109.5(7) . . ? O22_1 Sn3_1 O2_1 69.6(6) . . ? O11_1 Sn3_1 O2_1 79.0(6) . . ? O24_1 Sn3_1 O2_1 114.4(6) . . ? C16_1 Sn3_1 O2_1 92.9(7) . . ? O20_1 Sn3_1 O2_1 148.7(6) . . ? O17_1 Sn4_1 O20_1 88.1(6) . . ? O17_1 Sn4_1 O9_1 102.7(6) . . ? O20_1 Sn4_1 O9_1 163.1(6) . . ? O17_1 Sn4_1 O25_1 176.9(6) . . ? O20_1 Sn4_1 O25_1 94.0(6) . . ? O9_1 Sn4_1 O25_1 74.7(6) . . ? O17_1 Sn4_1 O12_1 90.9(6) . . ? O20_1 Sn4_1 O12_1 98.9(6) . . ? O9_1 Sn4_1 O12_1 94.0(6) . . ? O25_1 Sn4_1 O12_1 91.0(6) . . ? O17_1 Sn4_1 O16_1 95.8(6) . . ? O20_1 Sn4_1 O16_1 89.3(6) . . ? O9_1 Sn4_1 O16_1 76.8(6) . . ? O25_1 Sn4_1 O16_1 82.0(6) . . ? O12_1 Sn4_1 O16_1 169.7(6) . . ? O7_1 Sn5_1 O13_1 100.8(6) . . ? O7_1 Sn5_1 O27_1 87.8(6) . . ? O13_1 Sn5_1 O27_1 90.5(6) . . ? O7_1 Sn5_1 O12_1 167.2(6) . . ? O13_1 Sn5_1 O12_1 91.6(6) . . ? O27_1 Sn5_1 O12_1 95.3(6) . . ? O7_1 Sn5_1 O23_1 89.5(6) . . ? O13_1 Sn5_1 O23_1 167.8(6) . . ? O27_1 Sn5_1 O23_1 96.4(6) . . ? O12_1 Sn5_1 O23_1 77.9(6) . . ? O7_1 Sn5_1 O28_1 85.8(6) . . ? O13_1 Sn5_1 O28_1 86.7(6) . . ? O27_1 Sn5_1 O28_1 172.5(6) . . ? O12_1 Sn5_1 O28_1 91.7(6) . . ? O23_1 Sn5_1 O28_1 87.6(6) . . ? O7_1 Sn5_1 Sn1_1 126.9(4) . . ? O13_1 Sn5_1 Sn1_1 129.9(4) . . ? O27_1 Sn5_1 Sn1_1 104.1(5) . . ? O12_1 Sn5_1 Sn1_1 40.3(4) . . ? O23_1 Sn5_1 Sn1_1 38.5(4) . . ? O28_1 Sn5_1 Sn1_1 83.0(4) . . ? O7_1 Sn5_1 H28A_1 63.6(15) . . ? O13_1 Sn5_1 H28A_1 88(7) . . ? O27_1 Sn5_1 H28A_1 150.5(18) . . ? O12_1 Sn5_1 H28A_1 114.2(16) . . ? O23_1 Sn5_1 H28A_1 91(7) . . ? O28_1 Sn5_1 H28A_1 22.5(12) . . ? Sn1_1 Sn5_1 H28A_1 99(5) . . ? O17_1 Sn6_1 O11_1 94.2(6) . . ? O17_1 Sn6_1 O24_1 106.0(6) . . ? O11_1 Sn6_1 O24_1 71.1(6) . . ? O17_1 Sn6_1 C76_1 131.1(7) . . ? O11_1 Sn6_1 C76_1 134.1(7) . . ? O24_1 Sn6_1 C76_1 98.3(7) . . ? O17_1 Sn6_1 O14_1 82.8(6) . . ? O11_1 Sn6_1 O14_1 72.9(6) . . ? O24_1 Sn6_1 O14_1 143.4(6) . . ? C76_1 Sn6_1 O14_1 101.9(7) . . ? O17_1 Sn6_1 Sn1_1 80.5(5) . . ? O11_1 Sn6_1 Sn1_1 36.5(4) . . ? O24_1 Sn6_1 Sn1_1 107.4(4) . . ? C76_1 Sn6_1 Sn1_1 131.2(6) . . ? O14_1 Sn6_1 Sn1_1 37.8(4) . . ? O4_1 Sn7_1 O2_1 107.7(6) . . ? O4_1 Sn7_1 O22_1 92.5(6) . . ? O2_1 Sn7_1 O22_1 72.2(6) . . ? O4_1 Sn7_1 C31_1 129.8(8) . . ? O2_1 Sn7_1 C31_1 122.1(8) . . ? O22_1 Sn7_1 C31_1 106.7(8) . . ? O4_1 Sn7_1 O3_1 90.6(6) . . ? O2_1 Sn7_1 O3_1 82.9(6) . . ? O22_1 Sn7_1 O3_1 154.6(6) . . ? C31_1 Sn7_1 O3_1 90.4(8) . . ? O23_1 Sn8_1 O82_3 74.4(6) . . ? O23_1 Sn8_1 O29_1 85.0(6) . . ? O82_3 Sn8_1 O29_1 97.4(6) . . ? O23_1 Sn8_1 O26_1 82.4(6) . . ? O82_3 Sn8_1 O26_1 156.2(6) . . ? O29_1 Sn8_1 O26_1 86.0(6) . . ? O23_1 Sn8_1 C91_1 173.0(8) . . ? O82_3 Sn8_1 C91_1 99.6(8) . . ? O29_1 Sn8_1 C91_1 92.3(7) . . ? O26_1 Sn8_1 C91_1 103.8(8) . . ? O23_1 Sn8_1 O8_1 84.0(5) . . ? O82_3 Sn8_1 O8_1 81.4(6) . . ? O29_1 Sn8_1 O8_1 168.9(6) . . ? O26_1 Sn8_1 O8_1 90.8(6) . . ? C91_1 Sn8_1 O8_1 98.8(7) . . ? O23_1 Sn8_1 Sn1_1 36.6(4) . . ? O82_3 Sn8_1 Sn1_1 38.5(4) . . ? O29_1 Sn8_1 Sn1_1 96.5(5) . . ? O26_1 Sn8_1 Sn1_1 117.8(4) . . ? C91_1 Sn8_1 Sn1_1 137.9(6) . . ? O8_1 Sn8_1 Sn1_1 75.6(4) . . ? O23_1 Sn8_1 H26B_1 98(2) . . ? O82_3 Sn8_1 H26B_1 171(5) . . ? O29_1 Sn8_1 H26B_1 78(6) . . ? O26_1 Sn8_1 H26B_1 18.1(14) . . ? C91_1 Sn8_1 H26B_1 88(2) . . ? O8_1 Sn8_1 H26B_1 102(6) . . ? Sn1_1 Sn8_1 H26B_1 134(2) . . ? O21_1 Sn9_1 O16_1 140.2(6) . . ? O21_1 Sn9_1 O15_1 89.9(6) . . ? O16_1 Sn9_1 O15_1 89.0(6) . . ? O21_1 Sn9_1 O30_1 81.6(6) . . ? O16_1 Sn9_1 O30_1 85.3(6) . . ? O15_1 Sn9_1 O30_1 158.8(6) . . ? O21_1 Sn9_1 C46_1 114.6(7) . . ? O16_1 Sn9_1 C46_1 102.9(8) . . ? O15_1 Sn9_1 C46_1 110.6(8) . . ? O30_1 Sn9_1 C46_1 90.6(8) . . ? O21_1 Sn9_1 O9_1 72.2(5) . . ? O16_1 Sn9_1 O9_1 70.1(6) . . ? O15_1 Sn9_1 O9_1 69.8(6) . . ? O30_1 Sn9_1 O9_1 89.0(5) . . ? C46_1 Sn9_1 O9_1 173.0(7) . . ? O18_1 Sn10_1 O27_1 89.1(6) . . ? O18_1 Sn10_1 C61_1 99.7(8) . . ? O27_1 Sn10_1 C61_1 98.9(8) . . ? O18_1 Sn10_1 O21_1 87.1(6) . . ? O27_1 Sn10_1 O21_1 157.5(6) . . ? C61_1 Sn10_1 O21_1 103.6(8) . . ? O18_1 Sn10_1 O9_1 84.8(6) . . ? O27_1 Sn10_1 O9_1 81.3(6) . . ? C61_1 Sn10_1 O9_1 175.5(8) . . ? O21_1 Sn10_1 O9_1 76.4(5) . . ? O18_1 Sn10_1 O10_1 156.1(6) . . ? O27_1 Sn10_1 O10_1 90.7(6) . . ? C61_1 Sn10_1 O10_1 103.9(7) . . ? O21_1 Sn10_1 O10_1 84.0(6) . . ? O9_1 Sn10_1 O10_1 71.6(6) . . ? O19_1 S1_1 O6_1 115.3(11) . . ? O19_1 S1_1 O29_1 111.0(10) . . ? O6_1 S1_1 O29_1 111.7(10) . . ? O19_1 S1_1 C106_1 105.0(11) . . ? O6_1 S1_1 C106_1 109.8(11) . . ? O29_1 S1_1 C106_1 103.0(11) . . ? O5_1 S2_1 O1_1 114.8(11) . . ? O5_1 S2_1 O3_1 112.0(11) . . ? O1_1 S2_1 O3_1 108.8(11) . . ? O5_1 S2_1 C113_1 108.1(11) . . ? O1_1 S2_1 C113_1 108.7(11) . . ? O3_1 S2_1 C113_1 103.9(11) . . ? Sn7_1 O2_1 Sn3_1 104.9(6) . . ? Sn7_1 O2_1 H2_1 127.6 . . ? Sn3_1 O2_1 H2_1 127.6 . . ? S2_1 O3_1 Sn7_1 133.0(9) . . ? Sn7_1 O4_1 Sn1_1 129.4(8) . . ? Sn7_1 O4_1 H4_1 115.3 . . ? Sn1_1 O4_1 H4_1 115.3 . . ? Sn5_1 O7_1 H7_1 109.5 . . ? Sn8_1 O8_1 H8_1 109.5 . . ? Sn4_1 O9_1 Sn2_1 105.1(6) . . ? Sn4_1 O9_1 Sn10_1 141.1(8) . . ? Sn2_1 O9_1 Sn10_1 105.7(6) . . ? Sn4_1 O9_1 Sn9_1 99.5(6) . . ? Sn2_1 O9_1 Sn9_1 100.1(6) . . ? Sn10_1 O9_1 Sn9_1 97.9(5) . . ? Sn2_1 O10_1 Sn10_1 108.7(6) . . ? Sn2_1 O10_1 H10_1 125.6 . . ? Sn10_1 O10_1 H10_1 125.6 . . ? Sn1_1 O11_1 Sn6_1 106.2(7) . . ? Sn1_1 O11_1 Sn3_1 137.4(8) . . ? Sn6_1 O11_1 Sn3_1 107.2(7) . . ? Sn5_1 O12_1 Sn4_1 127.0(7) . . ? Sn5_1 O12_1 Sn1_1 100.6(6) . . ? Sn4_1 O12_1 Sn1_1 125.8(8) . . ? Sn5_1 O13_1 Sn2_1 132.1(7) . . ? Sn5_1 O13_1 H13_1 114.0 . . ? Sn2_1 O13_1 H13_1 113.9 . . ? Sn1_1 O14_1 Sn6_1 102.6(6) . . ? Sn1_1 O14_1 H14_1 128.7 . . ? Sn6_1 O14_1 H14_1 128.7 . . ? Sn2_1 O15_1 Sn9_1 114.7(7) . . ? Sn2_1 O15_1 H15_1 122.7 . . ? Sn9_1 O15_1 H15_1 122.7 . . ? Sn9_1 O16_1 Sn4_1 111.0(7) . . ? Sn9_1 O16_1 H16_1 124.5 . . ? Sn4_1 O16_1 H16_1 124.5 . . ? Sn4_1 O17_1 Sn6_1 132.6(7) . . ? Sn4_1 O17_1 H17_1 113.7 . . ? Sn6_1 O17_1 H17_1 113.7 . . ? Sn10_1 O18_1 H18A_1 103(9) . . ? Sn10_1 O18_1 H18B_1 109(10) . . ? H18A_1 O18_1 H18B_1 134(10) . . ? Sn4_1 O20_1 Sn3_1 136.4(8) . . ? Sn4_1 O20_1 H20_1 111.8 . . ? Sn3_1 O20_1 H20_1 111.8 . . ? Sn9_1 O21_1 Sn10_1 111.7(6) . . ? Sn9_1 O21_1 H21_1 124.2 . . ? Sn10_1 O21_1 H21_1 124.2 . . ? Sn3_1 O22_1 Sn7_1 108.6(7) . . ? Sn3_1 O22_1 H_1 125.7 . . ? Sn7_1 O22_1 H_1 125.7 . . ? Sn1_1 O23_1 Sn8_1 106.7(6) . . ? Sn1_1 O23_1 Sn5_1 102.5(6) . . ? Sn8_1 O23_1 Sn5_1 145.7(8) . . ? Sn6_1 O24_1 Sn3_1 104.6(6) . . ? Sn6_1 O24_1 H24_1 127.7 . . ? Sn3_1 O24_1 H24_1 127.7 . . ? Sn4_1 O25_1 Sn2_1 107.3(7) . . ? Sn4_1 O25_1 H25_1 126.4 . . ? Sn2_1 O25_1 H25_1 126.4 . . ? Sn8_1 O26_1 H26A_1 100(7) . . ? Sn8_1 O26_1 H26B_1 36(5) . . ? H26A_1 O26_1 H26B_1 133(10) . . ? Sn5_1 O27_1 Sn10_1 139.9(8) . . ? Sn5_1 O27_1 H27_1 110.1 . . ? Sn10_1 O27_1 H27_1 110.1 . . ? Sn5_1 O28_1 H28A_1 76(10) . . ? Sn5_1 O28_1 H28B_1 135(10) . . ? H28A_1 O28_1 H28B_1 136(10) . . ? S1_1 O29_1 Sn8_1 136.9(10) . . ? Sn9_1 O30_1 H30_1 109.5 . . ? C6_1 C1_1 C2_1 118(2) . . ? C6_1 C1_1 Sn2_1 119.6(19) . . ? C2_1 C1_1 Sn2_1 121.5(18) . . ? C1_1 C2_1 C3_1 120(2) . . ? C1_1 C2_1 C7_1 124(2) . . ? C3_1 C2_1 C7_1 116(2) . . ? C4_1 C3_1 C2_1 123(3) . . ? C4_1 C3_1 H3_1 118.4 . . ? C2_1 C3_1 H3_1 118.3 . . ? C3_1 C4_1 C5_1 117(3) . . ? C3_1 C4_1 C10_1 122(3) . . ? C5_1 C4_1 C10_1 121(3) . . ? C4_1 C5_1 C6_1 123(3) . . ? C4_1 C5_1 H5_1 118.6 . . ? C6_1 C5_1 H5_1 118.4 . . ? C1_1 C6_1 C5_1 119(3) . . ? C1_1 C6_1 C13_1 127(2) . . ? C5_1 C6_1 C13_1 114(2) . . ? C2_1 C7_1 C8_1 115.7(19) . . ? C2_1 C7_1 C9_1 108(2) . . ? C8_1 C7_1 C9_1 109(2) . . ? C2_1 C7_1 H7'_1 108.0 . . ? C8_1 C7_1 H7'_1 107.9 . . ? C9_1 C7_1 H7'_1 107.9 . . ? C7_1 C8_1 H8A_1 109.5 . . ? C7_1 C8_1 H8B_1 109.4 . . ? H8A_1 C8_1 H8B_1 109.5 . . ? C7_1 C8_1 H8C_1 109.5 . . ? H8A_1 C8_1 H8C_1 109.5 . . ? H8B_1 C8_1 H8C_1 109.5 . . ? C7_1 C9_1 H9A_1 109.5 . . ? C7_1 C9_1 H9B_1 109.5 . . ? H9A_1 C9_1 H9B_1 109.5 . . ? C7_1 C9_1 H9C_1 109.4 . . ? H9A_1 C9_1 H9C_1 109.5 . . ? H9B_1 C9_1 H9C_1 109.5 . . ? C12_1 C10_1 C11_1 102(3) . . ? C12_1 C10_1 C4_1 114(2) . . ? C11_1 C10_1 C4_1 111(3) . . ? C12_1 C10_1 H10'_1 110.2 . . ? C11_1 C10_1 H10'_1 108.4 . . ? C4_1 C10_1 H10'_1 110.0 . . ? C10_1 C11_1 H11A_1 116.6 . . ? C10_1 C11_1 H11B_1 110.8 . . ? H11A_1 C11_1 H11B_1 109.5 . . ? C10_1 C11_1 H11C_1 100.5 . . ? H11A_1 C11_1 H11C_1 109.5 . . ? H11B_1 C11_1 H11C_1 109.5 . . ? C10_1 C12_1 H12A_1 108.2 . . ? C10_1 C12_1 H12B_1 113.0 . . ? H12A_1 C12_1 H12B_1 109.5 . . ? C10_1 C12_1 H12C_1 107.2 . . ? H12A_1 C12_1 H12C_1 109.5 . . ? H12B_1 C12_1 H12C_1 109.5 . . ? C15_1 C13_1 C14_1 111(2) . . ? C15_1 C13_1 C6_1 117(2) . . ? C14_1 C13_1 C6_1 109(2) . . ? C15_1 C13_1 H13'_1 106.6 . . ? C14_1 C13_1 H13'_1 106.5 . . ? C6_1 C13_1 H13'_1 106.6 . . ? C13_1 C14_1 H14A_1 109.5 . . ? C13_1 C14_1 H14B_1 109.4 . . ? H14A_1 C14_1 H14B_1 109.5 . . ? C13_1 C14_1 H14C_1 109.5 . . ? H14A_1 C14_1 H14C_1 109.5 . . ? H14B_1 C14_1 H14C_1 109.5 . . ? C13_1 C15_1 H15A_1 109.5 . . ? C13_1 C15_1 H15B_1 109.5 . . ? H15A_1 C15_1 H15B_1 109.5 . . ? C13_1 C15_1 H15C_1 109.5 . . ? H15A_1 C15_1 H15C_1 109.5 . . ? H15B_1 C15_1 H15C_1 109.5 . . ? C21_1 C16_1 C17_1 118(2) . . ? C21_1 C16_1 Sn3_1 120.9(16) . . ? C17_1 C16_1 Sn3_1 121.1(17) . . ? C18_1 C17_1 C16_1 121(2) . . ? C18_1 C17_1 C22_1 99.2(19) . . ? C16_1 C17_1 C22_1 139(2) . . ? C17_1 C18_1 C19_1 122(3) . . ? C17_1 C18_1 H18_1 118.8 . . ? C19_1 C18_1 H18_1 118.8 . . ? C18_1 C19_1 C20_1 116(3) . . ? C18_1 C19_1 C25_1 122(3) . . ? C20_1 C19_1 C25_1 122(3) . . ? C21_1 C20_1 C19_1 120(3) . . ? C21_1 C20_1 H20'_1 120.1 . . ? C19_1 C20_1 H20'_1 120.1 . . ? C16_1 C21_1 C20_1 122(2) . . ? C16_1 C21_1 C28_1 121(2) . . ? C20_1 C21_1 C28_1 117(2) . . ? C23_1 C22_1 C24_1 117(3) . . ? C23_1 C22_1 C17_1 129(2) . . ? C24_1 C22_1 C17_1 110(2) . . ? C23_1 C22_1 H22_1 96.2 . . ? C24_1 C22_1 H22_1 96.4 . . ? C17_1 C22_1 H22_1 96.3 . . ? C22_1 C23_1 H23A_1 109.6 . . ? C22_1 C23_1 H23B_1 109.8 . . ? H23A_1 C23_1 H23B_1 109.5 . . ? C22_1 C23_1 H23C_1 109.0 . . ? H23A_1 C23_1 H23C_1 109.5 . . ? H23B_1 C23_1 H23C_1 109.5 . . ? C22_1 C24_1 H24A_1 109.6 . . ? C22_1 C24_1 H24B_1 109.2 . . ? H24A_1 C24_1 H24B_1 109.5 . . ? C22_1 C24_1 H24C_1 109.6 . . ? H24A_1 C24_1 H24C_1 109.5 . . ? H24B_1 C24_1 H24C_1 109.5 . . ? C27_1 C25_1 C19_1 117(3) . . ? C27_1 C25_1 C26_1 116(2) . . ? C19_1 C25_1 C26_1 108(2) . . ? C27_1 C25_1 H25'_1 104.7 . . ? C19_1 C25_1 H25'_1 104.7 . . ? C26_1 C25_1 H25'_1 104.8 . . ? C25_1 C26_1 H2'A_1 109.5 . . ? C25_1 C26_1 H2'B_1 109.5 . . ? H2'A_1 C26_1 H2'B_1 109.5 . . ? C25_1 C26_1 H2'C_1 109.4 . . ? H2'A_1 C26_1 H2'C_1 109.5 . . ? H2'B_1 C26_1 H2'C_1 109.5 . . ? C25_1 C27_1 H27A_1 109.5 . . ? C25_1 C27_1 H27B_1 109.5 . . ? H27A_1 C27_1 H27B_1 109.5 . . ? C25_1 C27_1 H27C_1 109.5 . . ? H27A_1 C27_1 H27C_1 109.5 . . ? H27B_1 C27_1 H27C_1 109.5 . . ? C30_1 C28_1 C29_1 109(2) . . ? C30_1 C28_1 C21_1 112(2) . . ? C29_1 C28_1 C21_1 111(2) . . ? C30_1 C28_1 H28_1 108.1 . . ? C29_1 C28_1 H28_1 108.1 . . ? C21_1 C28_1 H28_1 108.1 . . ? C28_1 C29_1 H29A_1 109.4 . . ? C28_1 C29_1 H29B_1 109.5 . . ? H29A_1 C29_1 H29B_1 109.5 . . ? C28_1 C29_1 H29C_1 109.5 . . ? H29A_1 C29_1 H29C_1 109.5 . . ? H29B_1 C29_1 H29C_1 109.5 . . ? C28_1 C30_1 H30A_1 109.5 . . ? C28_1 C30_1 H30B_1 109.4 . . ? H30A_1 C30_1 H30B_1 109.5 . . ? C28_1 C30_1 H30C_1 109.5 . . ? H30A_1 C30_1 H30C_1 109.5 . . ? H30B_1 C30_1 H30C_1 109.5 . . ? C32_1 C31_1 C36_1 122(2) . . ? C32_1 C31_1 Sn7_1 119.1(17) . . ? C36_1 C31_1 Sn7_1 118.6(17) . . ? C33_1 C32_1 C31_1 118(2) . . ? C33_1 C32_1 C37_1 118(2) . . ? C31_1 C32_1 C37_1 124(2) . . ? C34_1 C33_1 C32_1 123(3) . . ? C34_1 C33_1 H33_1 118.5 . . ? C32_1 C33_1 H33_1 118.5 . . ? C33_1 C34_1 C35_1 121(3) . . ? C33_1 C34_1 C40_1 125(3) . . ? C35_1 C34_1 C40_1 114(3) . . ? C36_1 C35_1 C34_1 119(3) . . ? C36_1 C35_1 H35_1 120.3 . . ? C34_1 C35_1 H35_1 120.3 . . ? C31_1 C36_1 C35_1 117(2) . . ? C31_1 C36_1 C43_1 125(2) . . ? C35_1 C36_1 C43_1 119(2) . . ? C32_1 C37_1 C38_1 114(2) . . ? C32_1 C37_1 C39_1 111(2) . . ? C38_1 C37_1 C39_1 113(2) . . ? C32_1 C37_1 H37_1 106.0 . . ? C38_1 C37_1 H37_1 106.1 . . ? C39_1 C37_1 H37_1 106.1 . . ? C37_1 C38_1 H38A_1 109.5 . . ? C37_1 C38_1 H38B_1 109.5 . . ? H38A_1 C38_1 H38B_1 109.5 . . ? C37_1 C38_1 H38C_1 109.4 . . ? H38A_1 C38_1 H38C_1 109.5 . . ? H38B_1 C38_1 H38C_1 109.5 . . ? C37_1 C39_1 H39A_1 109.5 . . ? C37_1 C39_1 H39B_1 109.5 . . ? H39A_1 C39_1 H39B_1 109.5 . . ? C37_1 C39_1 H39C_1 109.4 . . ? H39A_1 C39_1 H39C_1 109.5 . . ? H39B_1 C39_1 H39C_1 109.5 . . ? C42_1 C40_1 C41_1 138(4) . . ? C42_1 C40_1 C34_1 106(3) . . ? C41_1 C40_1 C34_1 116(3) . . ? C42_1 C40_1 H40_1 90.6 . . ? C41_1 C40_1 H40_1 90.6 . . ? C34_1 C40_1 H40_1 90.8 . . ? C40_1 C41_1 H41A_1 109.9 . . ? C40_1 C41_1 H41B_1 110.1 . . ? H41A_1 C41_1 H41B_1 109.5 . . ? C40_1 C41_1 H41C_1 108.5 . . ? H41A_1 C41_1 H41C_1 109.5 . . ? H41B_1 C41_1 H41C_1 109.5 . . ? C40_1 C42_1 H42A_1 110.2 . . ? C40_1 C42_1 H42B_1 108.5 . . ? H42A_1 C42_1 H42B_1 109.5 . . ? C40_1 C42_1 H42C_1 109.7 . . ? H42A_1 C42_1 H42C_1 109.5 . . ? H42B_1 C42_1 H42C_1 109.5 . . ? C36_1 C43_1 C44_1 111(2) . . ? C36_1 C43_1 C45_1 115(2) . . ? C44_1 C43_1 C45_1 110(2) . . ? C36_1 C43_1 H43_1 106.9 . . ? C44_1 C43_1 H43_1 106.8 . . ? C45_1 C43_1 H43_1 106.9 . . ? C43_1 C44_1 H44A_1 109.6 . . ? C43_1 C44_1 H44B_1 109.5 . . ? H44A_1 C44_1 H44B_1 109.5 . . ? C43_1 C44_1 H44C_1 109.4 . . ? H44A_1 C44_1 H44C_1 109.5 . . ? H44B_1 C44_1 H44C_1 109.5 . . ? C43_1 C45_1 H45A_1 109.4 . . ? C43_1 C45_1 H45B_1 109.4 . . ? H45A_1 C45_1 H45B_1 109.5 . . ? C43_1 C45_1 H45C_1 109.5 . . ? H45A_1 C45_1 H45C_1 109.5 . . ? H45B_1 C45_1 H45C_1 109.5 . . ? C51_1 C46_1 C47_1 118(2) . . ? C51_1 C46_1 Sn9_1 120.8(18) . . ? C47_1 C46_1 Sn9_1 118.1(16) . . ? C48_1 C47_1 C46_1 120(2) . . ? C48_1 C47_1 C52_1 117(2) . . ? C46_1 C47_1 C52_1 122(2) . . ? C47_1 C48_1 C49_1 121(3) . . ? C47_1 C48_1 H48_1 119.6 . . ? C49_1 C48_1 H48_1 119.6 . . ? C50_1 C49_1 C48_1 118(3) . . ? C50_1 C49_1 C55_1 122(3) . . ? C48_1 C49_1 C55_1 120(3) . . ? C49_1 C50_1 C51_1 122(3) . . ? C49_1 C50_1 H50_1 118.8 . . ? C51_1 C50_1 H50_1 118.8 . . ? C46_1 C51_1 C50_1 119(2) . . ? C46_1 C51_1 C58_1 121(2) . . ? C50_1 C51_1 C58_1 119(2) . . ? C53_1 C52_1 C54_1 116(3) . . ? C53_1 C52_1 C47_1 114(2) . . ? C54_1 C52_1 C47_1 107(2) . . ? C53_1 C52_1 H52_1 106.3 . . ? C54_1 C52_1 H52_1 106.2 . . ? C47_1 C52_1 H52_1 106.2 . . ? C52_1 C53_1 H53A_1 109.4 . . ? C52_1 C53_1 H53B_1 109.5 . . ? H53A_1 C53_1 H53B_1 109.5 . . ? C52_1 C53_1 H53C_1 109.5 . . ? H53A_1 C53_1 H53C_1 109.5 . . ? H53B_1 C53_1 H53C_1 109.5 . . ? C52_1 C54_1 H54A_1 109.6 . . ? C52_1 C54_1 H54B_1 109.3 . . ? H54A_1 C54_1 H54B_1 109.5 . . ? C52_1 C54_1 H54C_1 109.4 . . ? H54A_1 C54_1 H54C_1 109.5 . . ? H54B_1 C54_1 H54C_1 109.5 . . ? C56_1 C55_1 C49_1 110(3) . . ? C56_1 C55_1 C57_1 110(3) . . ? C49_1 C55_1 C57_1 111(2) . . ? C56_1 C55_1 H55_1 108.6 . . ? C49_1 C55_1 H55_1 108.7 . . ? C57_1 C55_1 H55_1 108.7 . . ? C55_1 C56_1 H56A_1 109.5 . . ? C55_1 C56_1 H56B_1 109.5 . . ? H56A_1 C56_1 H56B_1 109.5 . . ? C55_1 C56_1 H56C_1 109.5 . . ? H56A_1 C56_1 H56C_1 109.5 . . ? H56B_1 C56_1 H56C_1 109.5 . . ? C55_1 C57_1 H57A_1 109.4 . . ? C55_1 C57_1 H57B_1 109.5 . . ? H57A_1 C57_1 H57B_1 109.5 . . ? C55_1 C57_1 H57C_1 109.5 . . ? H57A_1 C57_1 H57C_1 109.5 . . ? H57B_1 C57_1 H57C_1 109.5 . . ? C51_1 C58_1 C59_1 112(2) . . ? C51_1 C58_1 C60_1 110(2) . . ? C59_1 C58_1 C60_1 112(2) . . ? C51_1 C58_1 H58_1 107.8 . . ? C59_1 C58_1 H58_1 107.7 . . ? C60_1 C58_1 H58_1 107.8 . . ? C58_1 C59_1 H59A_1 109.4 . . ? C58_1 C59_1 H59B_1 109.5 . . ? H59A_1 C59_1 H59B_1 109.5 . . ? C58_1 C59_1 H59C_1 109.5 . . ? H59A_1 C59_1 H59C_1 109.5 . . ? H59B_1 C59_1 H59C_1 109.5 . . ? C58_1 C60_1 H60A_1 109.4 . . ? C58_1 C60_1 H60B_1 109.5 . . ? H60A_1 C60_1 H60B_1 109.5 . . ? C58_1 C60_1 H60C_1 109.5 . . ? H60A_1 C60_1 H60C_1 109.5 . . ? H60B_1 C60_1 H60C_1 109.5 . . ? C66_1 C61_1 C62_1 120(2) . . ? C66_1 C61_1 Sn10_1 118.1(17) . . ? C62_1 C61_1 Sn10_1 121.8(15) . . ? C63_1 C62_1 C61_1 119(2) . . ? C63_1 C62_1 C67_1 117(3) . . ? C61_1 C62_1 C67_1 124(2) . . ? C62_1 C63_1 C64_1 123(3) . . ? C62_1 C63_1 H63_1 118.7 . . ? C64_1 C63_1 H63_1 118.7 . . ? C65_1 C64_1 C63_1 112(2) . . ? C65_1 C64_1 C70_1 127.0(11) . . ? C63_1 C64_1 C70_1 120(2) . . ? C64_1 C65_1 C66_1 127(2) . . ? C64_1 C65_1 H65_1 116.4 . . ? C66_1 C65_1 H65_1 116.4 . . ? C61_1 C66_1 C65_1 118(2) . . ? C61_1 C66_1 C73_1 130.0(19) . . ? C65_1 C66_1 C73_1 111.7(18) . . ? C68_1 C67_1 C69_1 113(2) . . ? C68_1 C67_1 C62_1 109(2) . . ? C69_1 C67_1 C62_1 112(2) . . ? C68_1 C67_1 H67_1 107.4 . . ? C69_1 C67_1 H67_1 107.3 . . ? C62_1 C67_1 H67_1 107.4 . . ? C67_1 C68_1 H68A_1 109.4 . . ? C67_1 C68_1 H68B_1 109.5 . . ? H68A_1 C68_1 H68B_1 109.5 . . ? C67_1 C68_1 H68C_1 109.5 . . ? H68A_1 C68_1 H68C_1 109.5 . . ? H68B_1 C68_1 H68C_1 109.5 . . ? C67_1 C69_1 H69A_1 109.5 . . ? C67_1 C69_1 H69B_1 109.5 . . ? H69A_1 C69_1 H69B_1 109.5 . . ? C67_1 C69_1 H69C_1 109.4 . . ? H69A_1 C69_1 H69C_1 109.5 . . ? H69B_1 C69_1 H69C_1 109.5 . . ? C72_1 C70_1 C71_1 124(3) . . ? C72_1 C70_1 C64_1 109(3) . . ? C71_1 C70_1 C64_1 114(3) . . ? C72_1 C70_1 H70_1 101.8 . . ? C71_1 C70_1 H70_1 101.8 . . ? C64_1 C70_1 H70_1 101.8 . . ? C70_1 C71_1 H71A_1 109.5 . . ? C70_1 C71_1 H71B_1 109.5 . . ? H71A_1 C71_1 H71B_1 109.5 . . ? C70_1 C71_1 H71C_1 109.5 . . ? H71A_1 C71_1 H71C_1 109.5 . . ? H71B_1 C71_1 H71C_1 109.5 . . ? C70_1 C72_1 H72A_1 109.5 . . ? C70_1 C72_1 H72B_1 109.5 . . ? H72A_1 C72_1 H72B_1 109.5 . . ? C70_1 C72_1 H72C_1 109.4 . . ? H72A_1 C72_1 H72C_1 109.5 . . ? H72B_1 C72_1 H72C_1 109.5 . . ? C75_1 C73_1 C74_1 114(2) . . ? C75_1 C73_1 C66_1 114.9(19) . . ? C74_1 C73_1 C66_1 111.2(19) . . ? C75_1 C73_1 H73_1 105.2 . . ? C74_1 C73_1 H73_1 105.2 . . ? C66_1 C73_1 H73_1 105.2 . . ? C73_1 C74_1 H74A_1 109.5 . . ? C73_1 C74_1 H74B_1 109.4 . . ? H74A_1 C74_1 H74B_1 109.5 . . ? C73_1 C74_1 H74C_1 109.5 . . ? H74A_1 C74_1 H74C_1 109.5 . . ? H74B_1 C74_1 H74C_1 109.5 . . ? C73_1 C75_1 H75A_1 109.5 . . ? C73_1 C75_1 H75B_1 109.5 . . ? H75A_1 C75_1 H75B_1 109.5 . . ? C73_1 C75_1 H75C_1 109.4 . . ? H75A_1 C75_1 H75C_1 109.5 . . ? H75B_1 C75_1 H75C_1 109.5 . . ? C77_1 C76_1 C81_1 120(2) . . ? C77_1 C76_1 Sn6_1 121.8(17) . . ? C81_1 C76_1 Sn6_1 117.9(18) . . ? C76_1 C77_1 C78_1 122(2) . . ? C76_1 C77_1 C82_1 130(2) . . ? C78_1 C77_1 C82_1 108(2) . . ? C79_1 C78_1 C77_1 121(3) . . ? C79_1 C78_1 H78_1 119.5 . . ? C77_1 C78_1 H78_1 119.5 . . ? C80_1 C79_1 C78_1 116(3) . . ? C80_1 C79_1 C85_1 129(3) . . ? C78_1 C79_1 C85_1 114(3) . . ? C79_1 C80_1 C81_1 124(3) . . ? C79_1 C80_1 H80_1 118.1 . . ? C81_1 C80_1 H80_1 118.2 . . ? C76_1 C81_1 C80_1 117(3) . . ? C76_1 C81_1 C88_1 121(3) . . ? C80_1 C81_1 C88_1 123(3) . . ? C84_1 C82_1 C77_1 128(2) . . ? C84_1 C82_1 C83_1 116(2) . . ? C77_1 C82_1 C83_1 110(2) . . ? C84_1 C82_1 H82_1 98.0 . . ? C77_1 C82_1 H82_1 98.0 . . ? C83_1 C82_1 H82_1 98.0 . . ? C82_1 C83_1 H83A_1 109.4 . . ? C82_1 C83_1 H83B_1 109.5 . . ? H83A_1 C83_1 H83B_1 109.5 . . ? C82_1 C83_1 H83C_1 109.5 . . ? H83A_1 C83_1 H83C_1 109.5 . . ? H83B_1 C83_1 H83C_1 109.5 . . ? C82_1 C84_1 H84A_1 109.4 . . ? C82_1 C84_1 H84B_1 109.5 . . ? H84A_1 C84_1 H84B_1 109.5 . . ? C82_1 C84_1 H84C_1 109.5 . . ? H84A_1 C84_1 H84C_1 109.5 . . ? H84B_1 C84_1 H84C_1 109.5 . . ? C79_1 C85_1 C86_1 112(3) . . ? C79_1 C85_1 C87_1 98(2) . . ? C86_1 C85_1 C87_1 105(3) . . ? C79_1 C85_1 H85_1 113.4 . . ? C86_1 C85_1 H85_1 113.8 . . ? C87_1 C85_1 H85_1 113.3 . . ? C85_1 C86_1 H86A_1 110.5 . . ? C85_1 C86_1 H86B_1 109.2 . . ? H86A_1 C86_1 H86B_1 109.5 . . ? C85_1 C86_1 H86C_1 108.7 . . ? H86A_1 C86_1 H86C_1 109.5 . . ? H86B_1 C86_1 H86C_1 109.5 . . ? C85_1 C87_1 H87A_1 109.2 . . ? C85_1 C87_1 H87B_1 110.0 . . ? H87A_1 C87_1 H87B_1 109.5 . . ? C85_1 C87_1 H87C_1 109.2 . . ? H87A_1 C87_1 H87C_1 109.5 . . ? H87B_1 C87_1 H87C_1 109.5 . . ? C90_1 C88_1 C81_1 110(2) . . ? C90_1 C88_1 C89_1 108(2) . . ? C81_1 C88_1 C89_1 113(2) . . ? C90_1 C88_1 H88_1 108.6 . . ? C81_1 C88_1 H88_1 108.7 . . ? C89_1 C88_1 H88_1 108.6 . . ? C88_1 C89_1 H89A_1 109.5 . . ? C88_1 C89_1 H89B_1 109.5 . . ? H89A_1 C89_1 H89B_1 109.5 . . ? C88_1 C89_1 H89C_1 109.4 . . ? H89A_1 C89_1 H89C_1 109.5 . . ? H89B_1 C89_1 H89C_1 109.5 . . ? C88_1 C90_1 H90A_1 109.5 . . ? C88_1 C90_1 H90B_1 109.4 . . ? H90A_1 C90_1 H90B_1 109.5 . . ? C88_1 C90_1 H90C_1 109.5 . . ? H90A_1 C90_1 H90C_1 109.5 . . ? H90B_1 C90_1 H90C_1 109.5 . . ? C92_1 C91_1 C96_1 119(2) . . ? C92_1 C91_1 Sn8_1 120.9(18) . . ? C96_1 C91_1 Sn8_1 119.6(17) . . ? C91_1 C92_1 C93_1 119(2) . . ? C91_1 C92_1 C97_1 124(2) . . ? C93_1 C92_1 C97_1 116(2) . . ? C94_1 C93_1 C92_1 119(3) . . ? C94_1 C93_1 H93_1 120.3 . . ? C92_1 C93_1 H93_1 120.3 . . ? C95_1 C94_1 C93_1 119(3) . . ? C95_1 C94_1 C100_1 120(3) . . ? C93_1 C94_1 C100_1 121(3) . . ? C96_1 C95_1 C94_1 125(3) . . ? C96_1 C95_1 H95_1 117.6 . . ? C94_1 C95_1 H95_1 117.6 . . ? C95_1 C96_1 C91_1 118(2) . . ? C95_1 C96_1 C103_1 117(2) . . ? C91_1 C96_1 C103_1 125(2) . . ? C92_1 C97_1 C99_1 114(2) . . ? C92_1 C97_1 C98_1 111.4(19) . . ? C99_1 C97_1 C98_1 110(2) . . ? C92_1 C97_1 H97_1 107.0 . . ? C99_1 C97_1 H97_1 107.0 . . ? C98_1 C97_1 H97_1 107.0 . . ? C97_1 C98_1 H98A_1 109.4 . . ? C97_1 C98_1 H98B_1 109.5 . . ? H98A_1 C98_1 H98B_1 109.5 . . ? C97_1 C98_1 H98C_1 109.5 . . ? H98A_1 C98_1 H98C_1 109.5 . . ? H98B_1 C98_1 H98C_1 109.5 . . ? C97_1 C99_1 H99A_1 109.4 . . ? C97_1 C99_1 H99B_1 109.5 . . ? H99A_1 C99_1 H99B_1 109.5 . . ? C97_1 C99_1 H99C_1 109.5 . . ? H99A_1 C99_1 H99C_1 109.5 . . ? H99B_1 C99_1 H99C_1 109.5 . . ? C102_1 C100_1 C94_1 117(3) . . ? C102_1 C100_1 C101_1 102(3) . . ? C94_1 C100_1 C101_1 115(3) . . ? C102_1 C100_1 H100_1 107.2 . . ? C94_1 C100_1 H100_1 107.3 . . ? C101_1 C100_1 H100_1 107.2 . . ? C100_1 C101_1 H01A_1 109.4 . . ? C100_1 C101_1 H01B_1 109.5 . . ? H01A_1 C101_1 H01B_1 109.5 . . ? C100_1 C101_1 H01C_1 109.5 . . ? H01A_1 C101_1 H01C_1 109.5 . . ? H01B_1 C101_1 H01C_1 109.5 . . ? C100_1 C102_1 H02A_1 109.4 . . ? C100_1 C102_1 H02B_1 109.6 . . ? H02A_1 C102_1 H02B_1 109.5 . . ? C100_1 C102_1 H02C_1 109.4 . . ? H02A_1 C102_1 H02C_1 109.5 . . ? H02B_1 C102_1 H02C_1 109.5 . . ? C104_1 C103_1 C105_1 113(2) . . ? C104_1 C103_1 C96_1 111(2) . . ? C105_1 C103_1 C96_1 107(2) . . ? C104_1 C103_1 H103_1 108.6 . . ? C105_1 C103_1 H103_1 108.5 . . ? C96_1 C103_1 H103_1 108.5 . . ? C103_1 C104_1 H04A_1 109.5 . . ? C103_1 C104_1 H04B_1 109.4 . . ? H04A_1 C104_1 H04B_1 109.5 . . ? C103_1 C104_1 H04C_1 109.5 . . ? H04A_1 C104_1 H04C_1 109.5 . . ? H04B_1 C104_1 H04C_1 109.5 . . ? C103_1 C105_1 H05A_1 109.4 . . ? C103_1 C105_1 H05B_1 109.5 . . ? H05A_1 C105_1 H05B_1 109.5 . . ? C103_1 C105_1 H05C_1 109.5 . . ? H05A_1 C105_1 H05C_1 109.5 . . ? H05B_1 C105_1 H05C_1 109.5 . . ? C107_1 C106_1 C111_1 120(3) . . ? C107_1 C106_1 S1_1 121.0(19) . . ? C111_1 C106_1 S1_1 119(2) . . ? C106_1 C107_1 C108_1 122(3) . . ? C106_1 C107_1 H107_1 118.8 . . ? C108_1 C107_1 H107_1 118.9 . . ? C109_1 C108_1 C107_1 119(3) . . ? C109_1 C108_1 H108_1 120.3 . . ? C107_1 C108_1 H108_1 120.4 . . ? C108_1 C109_1 C110_1 118(3) . . ? C108_1 C109_1 C112_1 123(3) . . ? C110_1 C109_1 C112_1 119(3) . . ? C109_1 C110_1 C111_1 124(3) . . ? C109_1 C110_1 H110_1 117.9 . . ? C111_1 C110_1 H110_1 118.0 . . ? C106_1 C111_1 C110_1 116(3) . . ? C106_1 C111_1 H111_1 121.8 . . ? C110_1 C111_1 H111_1 121.8 . . ? C109_1 C112_1 H12D_1 109.4 . . ? C109_1 C112_1 H12E_1 109.5 . . ? H12D_1 C112_1 H12E_1 109.5 . . ? C109_1 C112_1 H12F_1 109.4 . . ? H12D_1 C112_1 H12F_1 109.5 . . ? H12E_1 C112_1 H12F_1 109.5 . . ? C114_1 C113_1 C118_1 120(2) . . ? C114_1 C113_1 S2_1 121(2) . . ? C118_1 C113_1 S2_1 118.7(19) . . ? C113_1 C114_1 C115_1 119(3) . . ? C113_1 C114_1 H114_1 120.4 . . ? C115_1 C114_1 H114_1 120.4 . . ? C116_1 C115_1 C114_1 122(3) . . ? C116_1 C115_1 H115_1 119.0 . . ? C114_1 C115_1 H115_1 118.9 . . ? C115_1 C116_1 C117_1 118(3) . . ? C115_1 C116_1 C119_1 124(3) . . ? C117_1 C116_1 C119_1 118(3) . . ? C118_1 C117_1 C116_1 119(3) . . ? C118_1 C117_1 H117_1 120.5 . . ? C116_1 C117_1 H117_1 120.5 . . ? C117_1 C118_1 C113_1 122(3) . . ? C117_1 C118_1 H118_1 119.2 . . ? C113_1 C118_1 H118_1 119.2 . . ? C116_1 C119_1 H19A_1 109.5 . . ? C116_1 C119_1 H19B_1 109.5 . . ? H19A_1 C119_1 H19B_1 109.5 . . ? C116_1 C119_1 H19C_1 109.4 . . ? H19A_1 C119_1 H19C_1 109.5 . . ? H19B_1 C119_1 H19C_1 109.5 . . ? O39_2 Sn11_2 O41_2 87.3(6) . . ? O39_2 Sn11_2 O36_2 171.8(6) . . ? O41_2 Sn11_2 O36_2 92.5(6) . . ? O39_2 Sn11_2 O37_2 102.9(6) . . ? O41_2 Sn11_2 O37_2 161.4(6) . . ? O36_2 Sn11_2 O37_2 75.1(6) . . ? O39_2 Sn11_2 O54_2 96.5(6) . . ? O41_2 Sn11_2 O54_2 100.8(6) . . ? O36_2 Sn11_2 O54_2 91.6(6) . . ? O37_2 Sn11_2 O54_2 93.6(6) . . ? O39_2 Sn11_2 O47_2 89.6(6) . . ? O41_2 Sn11_2 O47_2 87.3(6) . . ? O36_2 Sn11_2 O47_2 82.1(6) . . ? O37_2 Sn11_2 O47_2 77.4(6) . . ? O54_2 Sn11_2 O47_2 170.0(6) . . ? O36_2 Sn12_2 O51_2 143.5(6) . . ? O36_2 Sn12_2 O49_2 92.2(6) . . ? O51_2 Sn12_2 O49_2 88.6(6) . . ? O36_2 Sn12_2 C120_2 102.9(8) . . ? O51_2 Sn12_2 C120_2 112.4(8) . . ? O49_2 Sn12_2 C120_2 103.6(8) . . ? O36_2 Sn12_2 O37_2 72.8(6) . . ? O51_2 Sn12_2 O37_2 72.0(6) . . ? O49_2 Sn12_2 O37_2 76.2(6) . . ? C120_2 Sn12_2 O37_2 175.6(8) . . ? O36_2 Sn12_2 O42_2 81.8(6) . . ? O51_2 Sn12_2 O42_2 87.3(6) . . ? O49_2 Sn12_2 O42_2 163.6(6) . . ? C120_2 Sn12_2 O42_2 92.7(8) . . ? O37_2 Sn12_2 O42_2 87.5(6) . . ? O43_2 Sn13_2 O57_2 94.2(6) . . ? O43_2 Sn13_2 O60_2 160.2(7) . . ? O57_2 Sn13_2 O60_2 73.9(6) . . ? O43_2 Sn13_2 O35_2 99.8(6) . . ? O57_2 Sn13_2 O35_2 161.2(6) . . ? O60_2 Sn13_2 O35_2 95.6(6) . . ? O43_2 Sn13_2 O38_2 87.4(6) . . ? O57_2 Sn13_2 O38_2 119.6(6) . . ? O60_2 Sn13_2 O38_2 85.0(6) . . ? O35_2 Sn13_2 O38_2 73.8(6) . . ? O43_2 Sn13_2 O54_2 98.4(6) . . ? O57_2 Sn13_2 O54_2 89.3(6) . . ? O60_2 Sn13_2 O54_2 97.3(6) . . ? O35_2 Sn13_2 O54_2 76.4(6) . . ? O38_2 Sn13_2 O54_2 150.2(6) . . ? O43_2 Sn13_2 Sn18_2 93.8(5) . . ? O57_2 Sn13_2 Sn18_2 128.2(4) . . ? O60_2 Sn13_2 Sn18_2 106.0(4) . . ? O35_2 Sn13_2 Sn18_2 38.8(4) . . ? O38_2 Sn13_2 Sn18_2 111.8(4) . . ? O54_2 Sn13_2 Sn18_2 38.9(4) . . ? O43_2 Sn13_2 Sn16_2 131.6(5) . . ? O57_2 Sn13_2 Sn16_2 37.5(4) . . ? O60_2 Sn13_2 Sn16_2 38.3(4) . . ? O35_2 Sn13_2 Sn16_2 127.5(4) . . ? O38_2 Sn13_2 Sn16_2 112.7(4) . . ? O54_2 Sn13_2 Sn16_2 85.1(4) . . ? Sn18_2 Sn13_2 Sn16_2 115.72(7) . . ? O46_2 Sn14_2 O47_2 141.0(6) . . ? O46_2 Sn14_2 O49_2 90.5(6) . . ? O47_2 Sn14_2 O49_2 89.2(6) . . ? O46_2 Sn14_2 O48_2 80.9(6) . . ? O47_2 Sn14_2 O48_2 83.1(6) . . ? O49_2 Sn14_2 O48_2 154.9(6) . . ? O46_2 Sn14_2 C165_2 114.6(8) . . ? O47_2 Sn14_2 C165_2 102.3(8) . . ? O49_2 Sn14_2 C165_2 108.4(9) . . ? O48_2 Sn14_2 C165_2 96.6(9) . . ? O46_2 Sn14_2 O37_2 72.1(5) . . ? O47_2 Sn14_2 O37_2 71.0(6) . . ? O49_2 Sn14_2 O37_2 71.0(6) . . ? O48_2 Sn14_2 O37_2 83.9(6) . . ? C165_2 Sn14_2 O37_2 173.2(8) . . ? O57_2 Sn15_2 O45_2 91.7(6) . . ? O57_2 Sn15_2 O40_2 70.9(6) . . ? O45_2 Sn15_2 O40_2 159.6(6) . . ? O57_2 Sn15_2 C180_2 161.6(7) . . ? O45_2 Sn15_2 C180_2 100.5(7) . . ? O40_2 Sn15_2 C180_2 99.1(7) . . ? O57_2 Sn15_2 O41_2 86.4(6) . . ? O45_2 Sn15_2 O41_2 85.7(6) . . ? O40_2 Sn15_2 O41_2 82.8(6) . . ? C180_2 Sn15_2 O41_2 108.1(7) . . ? O57_2 Sn15_2 O52_2 79.0(6) . . ? O45_2 Sn15_2 O52_2 68.7(6) . . ? O40_2 Sn15_2 O52_2 116.2(6) . . ? C180_2 Sn15_2 O52_2 92.5(8) . . ? O41_2 Sn15_2 O52_2 149.9(6) . . ? O39_2 Sn16_2 O57_2 97.2(6) . . ? O39_2 Sn16_2 O60_2 90.2(6) . . ? O57_2 Sn16_2 O60_2 72.0(6) . . ? O39_2 Sn16_2 O40_2 101.7(6) . . ? O57_2 Sn16_2 O40_2 71.3(6) . . ? O60_2 Sn16_2 O40_2 142.5(6) . . ? O39_2 Sn16_2 C135_2 126.7(8) . . ? O57_2 Sn16_2 C135_2 135.8(8) . . ? O60_2 Sn16_2 C135_2 100.7(7) . . ? O40_2 Sn16_2 C135_2 100.2(7) . . ? O39_2 Sn16_2 Sn13_2 86.0(4) . . ? O57_2 Sn16_2 Sn13_2 36.6(4) . . ? O60_2 Sn16_2 Sn13_2 37.2(4) . . ? O40_2 Sn16_2 Sn13_2 107.6(4) . . ? C135_2 Sn16_2 Sn13_2 131.2(7) . . ? O61_2 Sn17_2 O51_2 156.0(6) . . ? O61_2 Sn17_2 O46_2 86.0(6) . . ? O51_2 Sn17_2 O46_2 83.6(6) . . ? O61_2 Sn17_2 O56_2 89.4(6) . . ? O51_2 Sn17_2 O56_2 92.0(6) . . ? O46_2 Sn17_2 O56_2 157.4(6) . . ? O61_2 Sn17_2 C195_2 100.0(8) . . ? O51_2 Sn17_2 C195_2 103.7(8) . . ? O46_2 Sn17_2 C195_2 106.1(8) . . ? O56_2 Sn17_2 C195_2 96.5(8) . . ? O61_2 Sn17_2 O37_2 84.0(6) . . ? O51_2 Sn17_2 O37_2 72.6(6) . . ? O46_2 Sn17_2 O37_2 76.7(5) . . ? O56_2 Sn17_2 O37_2 80.8(6) . . ? C195_2 Sn17_2 O37_2 175.3(8) . . ? O58_2 Sn18_2 O42_2 99.6(6) . . ? O58_2 Sn18_2 O56_2 88.5(6) . . ? O42_2 Sn18_2 O56_2 90.1(6) . . ? O58_2 Sn18_2 O54_2 167.6(6) . . ? O42_2 Sn18_2 O54_2 91.9(6) . . ? O56_2 Sn18_2 O54_2 96.1(6) . . ? O58_2 Sn18_2 O35_2 90.6(6) . . ? O42_2 Sn18_2 O35_2 168.6(6) . . ? O56_2 Sn18_2 O35_2 95.4(6) . . ? O54_2 Sn18_2 O35_2 77.6(6) . . ? O58_2 Sn18_2 O59_2 84.0(6) . . ? O42_2 Sn18_2 O59_2 87.4(7) . . ? O56_2 Sn18_2 O59_2 171.6(6) . . ? O54_2 Sn18_2 O59_2 92.0(6) . . ? O35_2 Sn18_2 O59_2 88.6(7) . . ? O58_2 Sn18_2 Sn13_2 127.5(4) . . ? O42_2 Sn18_2 Sn13_2 129.9(4) . . ? O56_2 Sn18_2 Sn13_2 105.4(4) . . ? O54_2 Sn18_2 Sn13_2 40.1(4) . . ? O35_2 Sn18_2 Sn13_2 38.8(4) . . ? O59_2 Sn18_2 Sn13_2 82.4(5) . . ? O55_2 Sn19_2 O35_2 110.2(7) . . ? O55_2 Sn19_2 O38_2 173.1(9) . . ? O35_2 Sn19_2 O38_2 73.9(6) . . ? O55_2 Sn19_2 C210_2 75.7(9) . . ? O35_2 Sn19_2 C210_2 174.1(8) . . ? O38_2 Sn19_2 C210_2 100.2(8) . . ? O55_2 Sn19_2 O44_2 90.9(9) . . ? O35_2 Sn19_2 O44_2 84.4(6) . . ? O38_2 Sn19_2 O44_2 95.2(6) . . ? C210_2 Sn19_2 O44_2 96.1(8) . . ? O55_2 Sn19_2 O53_2 92.3(9) . . ? O35_2 Sn19_2 O53_2 82.2(6) . . ? O38_2 Sn19_2 O53_2 82.6(7) . . ? C210_2 Sn19_2 O53_2 97.4(8) . . ? O44_2 Sn19_2 O53_2 166.5(6) . . ? O43_2 Sn20_2 O52_2 106.3(6) . . ? O43_2 Sn20_2 O45_2 92.7(6) . . ? O52_2 Sn20_2 O45_2 71.3(7) . . ? O43_2 Sn20_2 C150_2 131.0(9) . . ? O52_2 Sn20_2 C150_2 122.3(9) . . ? O45_2 Sn20_2 C150_2 106.6(9) . . ? O43_2 Sn20_2 O34_2 89.3(6) . . ? O52_2 Sn20_2 O34_2 86.1(7) . . ? O45_2 Sn20_2 O34_2 157.0(6) . . ? C150_2 Sn20_2 O34_2 89.0(9) . . ? O50_2 S3_2 O31_2 117.5(12) . . ? O50_2 S3_2 O34_2 110.4(11) . . ? O31_2 S3_2 O34_2 110.8(11) . . ? O50_2 S3_2 C225_2 106.7(12) . . ? O31_2 S3_2 C225_2 107.1(12) . . ? O34_2 S3_2 C225_2 103.3(12) . . ? O32_2 S4_2 O33_2 113.7(10) . . ? O32_2 S4_2 O44_2 112.9(11) . . ? O33_2 S4_2 O44_2 110.6(11) . . ? O32_2 S4_2 C232_2 107.8(11) . . ? O33_2 S4_2 C232_2 107.0(11) . . ? O44_2 S4_2 C232_2 104.2(10) . . ? S3_2 O34_2 Sn20_2 133.0(10) . . ? Sn13_2 O35_2 Sn19_2 106.6(7) . . ? Sn13_2 O35_2 Sn18_2 102.4(6) . . ? Sn19_2 O35_2 Sn18_2 144.6(8) . . ? Sn11_2 O36_2 Sn12_2 106.8(6) . . ? Sn11_2 O36_2 H36_2 126.6 . . ? Sn12_2 O36_2 H36_2 126.6 . . ? Sn11_2 O37_2 Sn17_2 142.2(8) . . ? Sn11_2 O37_2 Sn12_2 104.5(6) . . ? Sn17_2 O37_2 Sn12_2 105.6(7) . . ? Sn11_2 O37_2 Sn14_2 98.6(6) . . ? Sn17_2 O37_2 Sn14_2 98.0(5) . . ? Sn12_2 O37_2 Sn14_2 100.1(6) . . ? Sn19_2 O38_2 Sn13_2 104.4(7) . . ? Sn19_2 O38_2 H38_2 127.8 . . ? Sn13_2 O38_2 H38_2 127.8 . . ? Sn11_2 O39_2 Sn16_2 127.7(8) . . ? Sn11_2 O39_2 H39_2 116.2 . . ? Sn16_2 O39_2 H39_2 116.2 . . ? Sn16_2 O40_2 Sn15_2 104.2(7) . . ? Sn16_2 O40_2 H40_2 127.9 . . ? Sn15_2 O40_2 H40_2 127.9 . . ? Sn11_2 O41_2 Sn15_2 131.6(7) . . ? Sn11_2 O41_2 H41_2 114.2 . . ? Sn15_2 O41_2 H41_2 114.2 . . ? Sn18_2 O42_2 Sn12_2 132.1(8) . . ? Sn18_2 O42_2 H42_2 114.0 . . ? Sn12_2 O42_2 H42_2 114.0 . . ? Sn20_2 O43_2 Sn13_2 131.3(8) . . ? Sn20_2 O43_2 H43_2 114.4 . . ? Sn13_2 O43_2 H43_2 114.4 . . ? S4_2 O44_2 Sn19_2 133.3(9) . . ? Sn15_2 O45_2 Sn20_2 107.8(7) . . ? Sn15_2 O45_2 H45_2 126.1 . . ? Sn20_2 O45_2 H45_2 126.1 . . ? Sn14_2 O46_2 Sn17_2 111.6(7) . . ? Sn14_2 O46_2 H46_2 124.2 . . ? Sn17_2 O46_2 H46_2 124.2 . . ? Sn14_2 O47_2 Sn11_2 110.4(7) . . ? Sn14_2 O47_2 H47_2 124.8 . . ? Sn11_2 O47_2 H47_2 124.8 . . ? Sn14_2 O48_2 H48A_2 96(9) . . ? Sn14_2 O48_2 H48B_2 87(8) . . ? H48A_2 O48_2 H48B_2 137(8) . . ? Sn14_2 O49_2 Sn12_2 112.7(8) . . ? Sn14_2 O49_2 H49_2 123.7 . . ? Sn12_2 O49_2 H49_2 123.7 . . ? Sn17_2 O51_2 Sn12_2 109.0(7) . . ? Sn17_2 O51_2 H51_2 125.5 . . ? Sn12_2 O51_2 H51_2 125.5 . . ? Sn20_2 O52_2 Sn15_2 106.3(7) . . ? Sn20_2 O52_2 H52_2 126.8 . . ? Sn15_2 O52_2 H52_2 126.8 . . ? Sn19_2 O53_2 H53A_2 91(9) . . ? Sn19_2 O53_2 H53B_2 98(9) . . ? H53A_2 O53_2 H53B_2 124(9) . . ? Sn18_2 O54_2 Sn11_2 127.0(8) . . ? Sn18_2 O54_2 Sn13_2 100.9(6) . . ? Sn11_2 O54_2 Sn13_2 126.3(8) . . ? Sn19_2 O55_2 H55_2 109.4 . . ? Sn18_2 O56_2 Sn17_2 140.3(7) . . ? Sn18_2 O56_2 H56_2 109.8 . . ? Sn17_2 O56_2 H56_2 109.8 . . ? Sn13_2 O57_2 Sn15_2 137.7(8) . . ? Sn13_2 O57_2 Sn16_2 106.0(6) . . ? Sn15_2 O57_2 Sn16_2 107.7(7) . . ? Sn18_2 O58_2 H58_2 109.5 . . ? Sn18_2 O59_2 H59A_2 117(10) . . ? Sn18_2 O59_2 H59B_2 114(10) . . ? H59A_2 O59_2 H59B_2 125(10) . . ? Sn13_2 O60_2 Sn16_2 104.5(6) . . ? Sn13_2 O60_2 H60_2 127.8 . . ? Sn16_2 O60_2 H60_2 127.8 . . ? Sn17_2 O61_2 H61_2 109.5 . . ? C125_2 C120_2 C121_2 121(2) . . ? C125_2 C120_2 Sn12_2 120.7(19) . . ? C121_2 C120_2 Sn12_2 118.3(19) . . ? C120_2 C121_2 C122_2 117(2) . . ? C120_2 C121_2 C126_2 126(2) . . ? C122_2 C121_2 C126_2 117(2) . . ? C123_2 C122_2 C121_2 122(3) . . ? C123_2 C122_2 H122_2 118.8 . . ? C121_2 C122_2 H122_2 118.8 . . ? C122_2 C123_2 C124_2 122(3) . . ? C122_2 C123_2 C129_2 122(3) . . ? C124_2 C123_2 C129_2 115(3) . . ? C123_2 C124_2 C125_2 116(3) . . ? C123_2 C124_2 H124_2 122.2 . . ? C125_2 C124_2 H124_2 122.3 . . ? C120_2 C125_2 C124_2 122(2) . . ? C120_2 C125_2 C132_2 136(2) . . ? C124_2 C125_2 C132_2 102(2) . . ? C121_2 C126_2 C128_2 113(3) . . ? C121_2 C126_2 C127_2 112(2) . . ? C128_2 C126_2 C127_2 108(2) . . ? C121_2 C126_2 H126_2 107.7 . . ? C128_2 C126_2 H126_2 107.7 . . ? C127_2 C126_2 H126_2 107.7 . . ? C126_2 C127_2 H27A_2 109.5 . . ? C126_2 C127_2 H27B_2 109.5 . . ? H27A_2 C127_2 H27B_2 109.5 . . ? C126_2 C127_2 H27C_2 109.4 . . ? H27A_2 C127_2 H27C_2 109.5 . . ? H27B_2 C127_2 H27C_2 109.5 . . ? C126_2 C128_2 H28A_2 109.5 . . ? C126_2 C128_2 H28B_2 109.4 . . ? H28A_2 C128_2 H28B_2 109.5 . . ? C126_2 C128_2 H28C_2 109.5 . . ? H28A_2 C128_2 H28C_2 109.5 . . ? H28B_2 C128_2 H28C_2 109.5 . . ? C123_2 C129_2 C130_2 124(3) . . ? C123_2 C129_2 C131_2 118(3) . . ? C130_2 C129_2 C131_2 116(4) . . ? C123_2 C129_2 H129_2 95.3 . . ? C130_2 C129_2 H129_2 95.2 . . ? C131_2 C129_2 H129_2 95.3 . . ? C129_2 C130_2 H30A_2 109.3 . . ? C129_2 C130_2 H30B_2 109.5 . . ? H30A_2 C130_2 H30B_2 109.5 . . ? C129_2 C130_2 H30C_2 109.6 . . ? H30A_2 C130_2 H30C_2 109.5 . . ? H30B_2 C130_2 H30C_2 109.5 . . ? C129_2 C131_2 H31A_2 109.5 . . ? C129_2 C131_2 H31B_2 109.7 . . ? H31A_2 C131_2 H31B_2 109.5 . . ? C129_2 C131_2 H31C_2 109.2 . . ? H31A_2 C131_2 H31C_2 109.5 . . ? H31B_2 C131_2 H31C_2 109.5 . . ? C133_2 C132_2 C125_2 128(2) . . ? C133_2 C132_2 C134_2 115(3) . . ? C125_2 C132_2 C134_2 111(2) . . ? C133_2 C132_2 H132_2 98.1 . . ? C125_2 C132_2 H132_2 98.1 . . ? C134_2 C132_2 H132_2 98.2 . . ? C132_2 C133_2 H33A_2 109.5 . . ? C132_2 C133_2 H33B_2 109.5 . . ? H33A_2 C133_2 H33B_2 109.5 . . ? C132_2 C133_2 H33C_2 109.4 . . ? H33A_2 C133_2 H33C_2 109.5 . . ? H33B_2 C133_2 H33C_2 109.5 . . ? C132_2 C134_2 H34A_2 109.5 . . ? C132_2 C134_2 H34B_2 109.4 . . ? H34A_2 C134_2 H34B_2 109.5 . . ? C132_2 C134_2 H34C_2 109.5 . . ? H34A_2 C134_2 H34C_2 109.5 . . ? H34B_2 C134_2 H34C_2 109.5 . . ? C140_2 C135_2 C136_2 119(2) . . ? C140_2 C135_2 Sn16_2 124.1(19) . . ? C136_2 C135_2 Sn16_2 116.9(18) . . ? C135_2 C136_2 C137_2 120(2) . . ? C135_2 C136_2 C141_2 124(2) . . ? C137_2 C136_2 C141_2 115(2) . . ? C136_2 C137_2 C138_2 119(3) . . ? C136_2 C137_2 H137_2 120.6 . . ? C138_2 C137_2 H137_2 120.5 . . ? C139_2 C138_2 C137_2 119(3) . . ? C139_2 C138_2 C144_2 121(3) . . ? C137_2 C138_2 C144_2 119(2) . . ? C140_2 C139_2 C138_2 118(3) . . ? C140_2 C139_2 H139_2 121.0 . . ? C138_2 C139_2 H139_2 120.9 . . ? C135_2 C140_2 C139_2 125(2) . . ? C135_2 C140_2 C147_2 133(2) . . ? C139_2 C140_2 C147_2 102(2) . . ? C142_2 C141_2 C136_2 117(2) . . ? C142_2 C141_2 C143_2 108(2) . . ? C136_2 C141_2 C143_2 110(2) . . ? C142_2 C141_2 H141_2 107.0 . . ? C136_2 C141_2 H141_2 107.0 . . ? C143_2 C141_2 H141_2 106.9 . . ? C141_2 C142_2 H42A_2 109.5 . . ? C141_2 C142_2 H42B_2 109.5 . . ? H42A_2 C142_2 H42B_2 109.5 . . ? C141_2 C142_2 H42C_2 109.4 . . ? H42A_2 C142_2 H42C_2 109.5 . . ? H42B_2 C142_2 H42C_2 109.5 . . ? C141_2 C143_2 H43A_2 109.5 . . ? C141_2 C143_2 H43B_2 109.4 . . ? H43A_2 C143_2 H43B_2 109.5 . . ? C141_2 C143_2 H43C_2 109.5 . . ? H43A_2 C143_2 H43C_2 109.5 . . ? H43B_2 C143_2 H43C_2 109.5 . . ? C145_2 C144_2 C146_2 116(4) . . ? C145_2 C144_2 C138_2 102(3) . . ? C146_2 C144_2 C138_2 121(3) . . ? C145_2 C144_2 H144_2 105.5 . . ? C146_2 C144_2 H144_2 105.3 . . ? C138_2 C144_2 H144_2 105.4 . . ? C144_2 C145_2 H45A_2 109.6 . . ? C144_2 C145_2 H45B_2 109.5 . . ? H45A_2 C145_2 H45B_2 109.5 . . ? C144_2 C145_2 H45C_2 109.4 . . ? H45A_2 C145_2 H45C_2 109.5 . . ? H45B_2 C145_2 H45C_2 109.5 . . ? C144_2 C146_2 H46A_2 109.4 . . ? C144_2 C146_2 H46B_2 109.6 . . ? H46A_2 C146_2 H46B_2 109.5 . . ? C144_2 C146_2 H46C_2 109.5 . . ? H46A_2 C146_2 H46C_2 109.5 . . ? H46B_2 C146_2 H46C_2 109.5 . . ? C148_2 C147_2 C140_2 129(3) . . ? C148_2 C147_2 C149_2 118(3) . . ? C140_2 C147_2 C149_2 111(3) . . ? C148_2 C147_2 H147_2 95.4 . . ? C140_2 C147_2 H147_2 95.4 . . ? C149_2 C147_2 H147_2 95.3 . . ? C147_2 C148_2 H4'A_2 109.6 . . ? C147_2 C148_2 H4'B_2 109.5 . . ? H4'A_2 C148_2 H4'B_2 109.5 . . ? C147_2 C148_2 H4'C_2 109.3 . . ? H4'A_2 C148_2 H4'C_2 109.5 . . ? H4'B_2 C148_2 H4'C_2 109.5 . . ? C147_2 C149_2 H49A_2 109.5 . . ? C147_2 C149_2 H49B_2 109.4 . . ? H49A_2 C149_2 H49B_2 109.5 . . ? C147_2 C149_2 H49C_2 109.5 . . ? H49A_2 C149_2 H49C_2 109.5 . . ? H49B_2 C149_2 H49C_2 109.5 . . ? C155_2 C150_2 C151_2 122(3) . . ? C155_2 C150_2 Sn20_2 119(2) . . ? C151_2 C150_2 Sn20_2 119(2) . . ? C150_2 C151_2 C152_2 115(3) . . ? C150_2 C151_2 C156_2 123(3) . . ? C152_2 C151_2 C156_2 121(3) . . ? C153_2 C152_2 C151_2 121(3) . . ? C153_2 C152_2 H152_2 119.6 . . ? C151_2 C152_2 H152_2 119.5 . . ? C154_2 C153_2 C152_2 119(3) . . ? C154_2 C153_2 C159_2 124(3) . . ? C152_2 C153_2 C159_2 117(3) . . ? C155_2 C154_2 C153_2 120(3) . . ? C155_2 C154_2 H154_2 120.1 . . ? C153_2 C154_2 H154_2 120.1 . . ? C150_2 C155_2 C154_2 123(2) . . ? C150_2 C155_2 C162_2 135(2) . . ? C154_2 C155_2 C162_2 101(2) . . ? C157_2 C156_2 C158_2 109(3) . . ? C157_2 C156_2 C151_2 111(3) . . ? C158_2 C156_2 C151_2 114(3) . . ? C157_2 C156_2 H156_2 107.6 . . ? C158_2 C156_2 H156_2 107.5 . . ? C151_2 C156_2 H156_2 107.6 . . ? C156_2 C157_2 H57A_2 109.5 . . ? C156_2 C157_2 H57B_2 109.5 . . ? H57A_2 C157_2 H57B_2 109.5 . . ? C156_2 C157_2 H57C_2 109.5 . . ? H57A_2 C157_2 H57C_2 109.5 . . ? H57B_2 C157_2 H57C_2 109.5 . . ? C156_2 C158_2 H58A_2 109.5 . . ? C156_2 C158_2 H58B_2 109.6 . . ? H58A_2 C158_2 H58B_2 109.5 . . ? C156_2 C158_2 H58C_2 109.3 . . ? H58A_2 C158_2 H58C_2 109.5 . . ? H58B_2 C158_2 H58C_2 109.5 . . ? C161_2 C159_2 C153_2 113(4) . . ? C161_2 C159_2 C160_2 123(4) . . ? C153_2 C159_2 C160_2 117(4) . . ? C161_2 C159_2 H159_2 98.4 . . ? C153_2 C159_2 H159_2 98.4 . . ? C160_2 C159_2 H159_2 98.4 . . ? C159_2 C160_2 H60A_2 109.5 . . ? C159_2 C160_2 H60B_2 109.6 . . ? H60A_2 C160_2 H60B_2 109.5 . . ? C159_2 C160_2 H60C_2 109.3 . . ? H60A_2 C160_2 H60C_2 109.5 . . ? H60B_2 C160_2 H60C_2 109.5 . . ? C159_2 C161_2 H61A_2 109.6 . . ? C159_2 C161_2 H61B_2 109.3 . . ? H61A_2 C161_2 H61B_2 109.5 . . ? C159_2 C161_2 H61C_2 109.5 . . ? H61A_2 C161_2 H61C_2 109.5 . . ? H61B_2 C161_2 H61C_2 109.5 . . ? C163_2 C162_2 C155_2 129(2) . . ? C163_2 C162_2 C164_2 115(2) . . ? C155_2 C162_2 C164_2 115(2) . . ? C163_2 C162_2 H162_2 93.6 . . ? C155_2 C162_2 H162_2 93.6 . . ? C164_2 C162_2 H162_2 93.6 . . ? C162_2 C163_2 H63A_2 109.5 . . ? C162_2 C163_2 H63B_2 109.5 . . ? H63A_2 C163_2 H63B_2 109.5 . . ? C162_2 C163_2 H63C_2 109.5 . . ? H63A_2 C163_2 H63C_2 109.5 . . ? H63B_2 C163_2 H63C_2 109.5 . . ? C162_2 C164_2 H64A_2 109.5 . . ? C162_2 C164_2 H64B_2 109.5 . . ? H64A_2 C164_2 H64B_2 109.5 . . ? C162_2 C164_2 H64C_2 109.4 . . ? H64A_2 C164_2 H64C_2 109.5 . . ? H64B_2 C164_2 H64C_2 109.5 . . ? C166_2 C165_2 C170_2 120(3) . . ? C166_2 C165_2 Sn14_2 121(2) . . ? C170_2 C165_2 Sn14_2 117.3(19) . . ? C165_2 C166_2 C167_2 118(3) . . ? C165_2 C166_2 C171_2 122(2) . . ? C167_2 C166_2 C171_2 120(2) . . ? C168_2 C167_2 C166_2 125(3) . . ? C168_2 C167_2 H167_2 117.4 . . ? C166_2 C167_2 H167_2 117.4 . . ? C167_2 C168_2 C169_2 115(3) . . ? C167_2 C168_2 C174_2 123(3) . . ? C169_2 C168_2 C174_2 121(3) . . ? C170_2 C169_2 C168_2 125(3) . . ? C170_2 C169_2 H169_2 117.7 . . ? C168_2 C169_2 H169_2 117.6 . . ? C169_2 C170_2 C165_2 116(3) . . ? C169_2 C170_2 C177_2 119(3) . . ? C165_2 C170_2 C177_2 124(3) . . ? C173_2 C171_2 C172_2 125(3) . . ? C173_2 C171_2 C166_2 100(3) . . ? C172_2 C171_2 C166_2 115(3) . . ? C173_2 C171_2 H171_2 105.1 . . ? C172_2 C171_2 H171_2 105.2 . . ? C166_2 C171_2 H171_2 105.1 . . ? C171_2 C172_2 H72A_2 109.5 . . ? C171_2 C172_2 H72B_2 109.4 . . ? H72A_2 C172_2 H72B_2 109.5 . . ? C171_2 C172_2 H72C_2 109.5 . . ? H72A_2 C172_2 H72C_2 109.5 . . ? H72B_2 C172_2 H72C_2 109.5 . . ? C171_2 C173_2 H73A_2 109.4 . . ? C171_2 C173_2 H73B_2 109.5 . . ? H73A_2 C173_2 H73B_2 109.5 . . ? C171_2 C173_2 H73C_2 109.5 . . ? H73A_2 C173_2 H73C_2 109.5 . . ? H73B_2 C173_2 H73C_2 109.5 . . ? C175_2 C174_2 C176_2 116(3) . . ? C175_2 C174_2 C168_2 112(3) . . ? C176_2 C174_2 C168_2 108(3) . . ? C175_2 C174_2 H174_2 106.6 . . ? C176_2 C174_2 H174_2 106.5 . . ? C168_2 C174_2 H174_2 106.5 . . ? C174_2 C175_2 H75A_2 109.5 . . ? C174_2 C175_2 H75B_2 109.4 . . ? H75A_2 C175_2 H75B_2 109.5 . . ? C174_2 C175_2 H75C_2 109.5 . . ? H75A_2 C175_2 H75C_2 109.5 . . ? H75B_2 C175_2 H75C_2 109.5 . . ? C174_2 C176_2 H76A_2 109.5 . . ? C174_2 C176_2 H76B_2 109.4 . . ? H76A_2 C176_2 H76B_2 109.5 . . ? C174_2 C176_2 H76C_2 109.5 . . ? H76A_2 C176_2 H76C_2 109.5 . . ? H76B_2 C176_2 H76C_2 109.5 . . ? C170_2 C177_2 C179_2 114(2) . . ? C170_2 C177_2 C178_2 109(2) . . ? C179_2 C177_2 C178_2 116(2) . . ? C170_2 C177_2 H177_2 105.3 . . ? C179_2 C177_2 H177_2 105.3 . . ? C178_2 C177_2 H177_2 105.2 . . ? C177_2 C178_2 H78A_2 109.5 . . ? C177_2 C178_2 H78B_2 109.6 . . ? H78A_2 C178_2 H78B_2 109.5 . . ? C177_2 C178_2 H78C_2 109.4 . . ? H78A_2 C178_2 H78C_2 109.5 . . ? H78B_2 C178_2 H78C_2 109.5 . . ? C177_2 C179_2 H79A_2 109.4 . . ? C177_2 C179_2 H79B_2 109.5 . . ? H79A_2 C179_2 H79B_2 109.5 . . ? C177_2 C179_2 H79C_2 109.5 . . ? H79A_2 C179_2 H79C_2 109.5 . . ? H79B_2 C179_2 H79C_2 109.5 . . ? C185_2 C180_2 C181_2 123(2) . . ? C185_2 C180_2 Sn15_2 118.1(15) . . ? C181_2 C180_2 Sn15_2 118.8(18) . . ? C180_2 C181_2 C182_2 115(2) . . ? C180_2 C181_2 C186_2 139(2) . . ? C182_2 C181_2 C186_2 105.9(18) . . ? C183_2 C182_2 C181_2 122(2) . . ? C183_2 C182_2 H182_2 118.8 . . ? C181_2 C182_2 H182_2 118.8 . . ? C184_2 C183_2 C182_2 118(3) . . ? C184_2 C183_2 C189_2 120(3) . . ? C182_2 C183_2 C189_2 122(3) . . ? C183_2 C184_2 C185_2 124(3) . . ? C183_2 C184_2 H184_2 117.9 . . ? C185_2 C184_2 H184_2 118.0 . . ? C180_2 C185_2 C184_2 117(2) . . ? C180_2 C185_2 C192_2 124(2) . . ? C184_2 C185_2 C192_2 118(3) . . ? C188_2 C186_2 C181_2 131(2) . . ? C188_2 C186_2 C187_2 120(2) . . ? C181_2 C186_2 C187_2 106.5(19) . . ? C188_2 C186_2 H186_2 95.7 . . ? C181_2 C186_2 H186_2 95.8 . . ? C187_2 C186_2 H186_2 95.9 . . ? C186_2 C187_2 H87A_2 109.5 . . ? C186_2 C187_2 H87B_2 109.6 . . ? H87A_2 C187_2 H87B_2 109.5 . . ? C186_2 C187_2 H87C_2 109.4 . . ? H87A_2 C187_2 H87C_2 109.5 . . ? H87B_2 C187_2 H87C_2 109.5 . . ? C186_2 C188_2 H88A_2 109.6 . . ? C186_2 C188_2 H88B_2 109.2 . . ? H88A_2 C188_2 H88B_2 109.5 . . ? C186_2 C188_2 H88C_2 109.6 . . ? H88A_2 C188_2 H88C_2 109.5 . . ? H88B_2 C188_2 H88C_2 109.5 . . ? C191_2 C189_2 C183_2 113(3) . . ? C191_2 C189_2 C190_2 111(3) . . ? C183_2 C189_2 C190_2 112(2) . . ? C191_2 C189_2 H189_2 107.0 . . ? C183_2 C189_2 H189_2 107.0 . . ? C190_2 C189_2 H189_2 107.1 . . ? C189_2 C190_2 H90A_2 109.4 . . ? C189_2 C190_2 H90B_2 109.5 . . ? H90A_2 C190_2 H90B_2 109.5 . . ? C189_2 C190_2 H90C_2 109.5 . . ? H90A_2 C190_2 H90C_2 109.5 . . ? H90B_2 C190_2 H90C_2 109.5 . . ? C189_2 C191_2 H91A_2 109.4 . . ? C189_2 C191_2 H91B_2 109.5 . . ? H91A_2 C191_2 H91B_2 109.5 . . ? C189_2 C191_2 H91C_2 109.5 . . ? H91A_2 C191_2 H91C_2 109.5 . . ? H91B_2 C191_2 H91C_2 109.5 . . ? C193_2 C192_2 C185_2 114(2) . . ? C193_2 C192_2 C194_2 108(2) . . ? C185_2 C192_2 C194_2 110(2) . . ? C193_2 C192_2 H192_2 108.2 . . ? C185_2 C192_2 H192_2 108.2 . . ? C194_2 C192_2 H192_2 108.2 . . ? C192_2 C193_2 H93A_2 109.5 . . ? C192_2 C193_2 H93B_2 109.4 . . ? H93A_2 C193_2 H93B_2 109.5 . . ? C192_2 C193_2 H93C_2 109.5 . . ? H93A_2 C193_2 H93C_2 109.5 . . ? H93B_2 C193_2 H93C_2 109.5 . . ? C192_2 C194_2 H94A_2 109.5 . . ? C192_2 C194_2 H94B_2 109.5 . . ? H94A_2 C194_2 H94B_2 109.5 . . ? C192_2 C194_2 H94C_2 109.5 . . ? H94A_2 C194_2 H94C_2 109.5 . . ? H94B_2 C194_2 H94C_2 109.5 . . ? C196_2 C195_2 C200_2 117(2) . . ? C196_2 C195_2 Sn17_2 123.0(17) . . ? C200_2 C195_2 Sn17_2 118.8(17) . . ? C197_2 C196_2 C195_2 121(2) . . ? C197_2 C196_2 C201_2 116(2) . . ? C195_2 C196_2 C201_2 123(2) . . ? C196_2 C197_2 C198_2 122(3) . . ? C196_2 C197_2 H197_2 118.8 . . ? C198_2 C197_2 H197_2 118.8 . . ? C199_2 C198_2 C197_2 118(2) . . ? C199_2 C198_2 C204_2 123(3) . . ? C197_2 C198_2 C204_2 119(3) . . ? C198_2 C199_2 C200_2 121(3) . . ? C198_2 C199_2 H199_2 119.8 . . ? C200_2 C199_2 H199_2 119.7 . . ? C199_2 C200_2 C195_2 120(2) . . ? C199_2 C200_2 C207_2 116(2) . . ? C195_2 C200_2 C207_2 124(2) . . ? C196_2 C201_2 C202_2 116(2) . . ? C196_2 C201_2 C203_2 110(2) . . ? C202_2 C201_2 C203_2 106(2) . . ? C196_2 C201_2 H201_2 108.2 . . ? C202_2 C201_2 H201_2 108.1 . . ? C203_2 C201_2 H201_2 108.1 . . ? C201_2 C202_2 H02A_2 109.5 . . ? C201_2 C202_2 H02B_2 109.4 . . ? H02A_2 C202_2 H02B_2 109.5 . . ? C201_2 C202_2 H02C_2 109.5 . . ? H02A_2 C202_2 H02C_2 109.5 . . ? H02B_2 C202_2 H02C_2 109.5 . . ? C201_2 C203_2 H03A_2 109.5 . . ? C201_2 C203_2 H03B_2 109.4 . . ? H03A_2 C203_2 H03B_2 109.5 . . ? C201_2 C203_2 H03C_2 109.5 . . ? H03A_2 C203_2 H03C_2 109.5 . . ? H03B_2 C203_2 H03C_2 109.5 . . ? C205_2 C204_2 C198_2 113(3) . . ? C205_2 C204_2 C206_2 113(4) . . ? C198_2 C204_2 C206_2 111(3) . . ? C205_2 C204_2 H204_2 106.5 . . ? C198_2 C204_2 H204_2 106.6 . . ? C206_2 C204_2 H204_2 106.5 . . ? C204_2 C205_2 H05A_2 109.5 . . ? C204_2 C205_2 H05B_2 109.4 . . ? H05A_2 C205_2 H05B_2 109.5 . . ? C204_2 C205_2 H05C_2 109.5 . . ? H05A_2 C205_2 H05C_2 109.5 . . ? H05B_2 C205_2 H05C_2 109.5 . . ? C204_2 C206_2 H06A_2 109.6 . . ? C204_2 C206_2 H06B_2 109.5 . . ? H06A_2 C206_2 H06B_2 109.5 . . ? C204_2 C206_2 H06C_2 109.3 . . ? H06A_2 C206_2 H06C_2 109.5 . . ? H06B_2 C206_2 H06C_2 109.5 . . ? C208_2 C207_2 C209_2 108(2) . . ? C208_2 C207_2 C200_2 114(2) . . ? C209_2 C207_2 C200_2 114(2) . . ? C208_2 C207_2 H207_2 106.9 . . ? C209_2 C207_2 H207_2 106.8 . . ? C200_2 C207_2 H207_2 106.9 . . ? C207_2 C208_2 H08A_2 109.4 . . ? C207_2 C208_2 H08B_2 109.5 . . ? H08A_2 C208_2 H08B_2 109.5 . . ? C207_2 C208_2 H08C_2 109.5 . . ? H08A_2 C208_2 H08C_2 109.5 . . ? H08B_2 C208_2 H08C_2 109.5 . . ? C207_2 C209_2 H09A_2 109.5 . . ? C207_2 C209_2 H09B_2 109.5 . . ? H09A_2 C209_2 H09B_2 109.5 . . ? C207_2 C209_2 H09C_2 109.5 . . ? H09A_2 C209_2 H09C_2 109.5 . . ? H09B_2 C209_2 H09C_2 109.5 . . ? C211_2 C210_2 C215_2 120(3) . . ? C211_2 C210_2 Sn19_2 121(2) . . ? C215_2 C210_2 Sn19_2 118.8(19) . . ? C210_2 C211_2 C212_2 120(3) . . ? C210_2 C211_2 C216_2 130(3) . . ? C212_2 C211_2 C216_2 110(3) . . ? C213_2 C212_2 C211_2 119(3) . . ? C213_2 C212_2 H212_2 120.4 . . ? C211_2 C212_2 H212_2 120.4 . . ? C212_2 C213_2 C214_2 121(4) . . ? C212_2 C213_2 C219_2 113(3) . . ? C214_2 C213_2 C219_2 126(3) . . ? C213_2 C214_2 C215_2 121(3) . . ? C213_2 C214_2 H214_2 119.5 . . ? C215_2 C214_2 H214_2 119.6 . . ? C210_2 C215_2 C214_2 119(3) . . ? C210_2 C215_2 C222_2 128(3) . . ? C214_2 C215_2 C222_2 113(3) . . ? C218_2 C216_2 C217_2 118(3) . . ? C218_2 C216_2 C211_2 110(3) . . ? C217_2 C216_2 C211_2 114(3) . . ? C218_2 C216_2 H216_2 104.4 . . ? C217_2 C216_2 H216_2 104.4 . . ? C211_2 C216_2 H216_2 104.4 . . ? C216_2 C217_2 H17D_2 109.4 . . ? C216_2 C217_2 H17E_2 109.5 . . ? H17D_2 C217_2 H17E_2 109.5 . . ? C216_2 C217_2 H17F_2 109.5 . . ? H17D_2 C217_2 H17F_2 109.5 . . ? H17E_2 C217_2 H17F_2 109.5 . . ? C216_2 C218_2 H18D_2 109.5 . . ? C216_2 C218_2 H18E_2 109.4 . . ? H18D_2 C218_2 H18E_2 109.5 . . ? C216_2 C218_2 H18F_2 109.5 . . ? H18D_2 C218_2 H18F_2 109.5 . . ? H18E_2 C218_2 H18F_2 109.5 . . ? C221_2 C219_2 C220_2 93(3) . . ? C221_2 C219_2 C213_2 110(3) . . ? C220_2 C219_2 C213_2 108(3) . . ? C221_2 C219_2 H219_2 114.7 . . ? C220_2 C219_2 H219_2 114.8 . . ? C213_2 C219_2 H219_2 114.6 . . ? C219_2 C220_2 H20D_2 109.1 . . ? C219_2 C220_2 H20E_2 109.9 . . ? H20D_2 C220_2 H20E_2 109.5 . . ? C219_2 C220_2 H20F_2 109.3 . . ? H20D_2 C220_2 H20F_2 109.5 . . ? H20E_2 C220_2 H20F_2 109.5 . . ? C219_2 C221_2 H21D_2 109.7 . . ? C219_2 C221_2 H21E_2 109.2 . . ? H21D_2 C221_2 H21E_2 109.5 . . ? C219_2 C221_2 H21F_2 109.6 . . ? H21D_2 C221_2 H21F_2 109.5 . . ? H21E_2 C221_2 H21F_2 109.5 . . ? C215_2 C222_2 C223_2 116(3) . . ? C215_2 C222_2 C224_2 111(2) . . ? C223_2 C222_2 C224_2 109(3) . . ? C215_2 C222_2 H222_2 106.8 . . ? C223_2 C222_2 H222_2 106.8 . . ? C224_2 C222_2 H222_2 106.7 . . ? C222_2 C223_2 H23D_2 109.5 . . ? C222_2 C223_2 H23E_2 109.5 . . ? H23D_2 C223_2 H23E_2 109.5 . . ? C222_2 C223_2 H23F_2 109.4 . . ? H23D_2 C223_2 H23F_2 109.5 . . ? H23E_2 C223_2 H23F_2 109.5 . . ? C222_2 C224_2 H24D_2 109.5 . . ? C222_2 C224_2 H24E_2 109.4 . . ? H24D_2 C224_2 H24E_2 109.5 . . ? C222_2 C224_2 H24F_2 109.4 . . ? H24D_2 C224_2 H24F_2 109.5 . . ? H24E_2 C224_2 H24F_2 109.5 . . ? C226_2 C225_2 C230_2 116(4) . . ? C226_2 C225_2 S3_2 123(2) . . ? C230_2 C225_2 S3_2 121(3) . . ? C227_2 C226_2 C225_2 119(3) . . ? C227_2 C226_2 H226_2 120.6 . . ? C225_2 C226_2 H226_2 120.7 . . ? C228_2 C227_2 C226_2 129(4) . . ? C228_2 C227_2 H227_2 115.6 . . ? C226_2 C227_2 H227_2 115.7 . . ? C227_2 C228_2 C229_2 113(4) . . ? C227_2 C228_2 C231_2 110(4) . . ? C229_2 C228_2 C231_2 137(5) . . ? C230_2 C229_2 C228_2 124(5) . . ? C230_2 C229_2 H229_2 117.9 . . ? C228_2 C229_2 H229_2 118.0 . . ? C229_2 C230_2 C225_2 119(5) . . ? C229_2 C230_2 H230_2 120.4 . . ? C225_2 C230_2 H230_2 120.4 . . ? C228_2 C231_2 H31D_2 109.3 . . ? C228_2 C231_2 H31E_2 109.5 . . ? H31D_2 C231_2 H31E_2 109.5 . . ? C228_2 C231_2 H31F_2 109.6 . . ? H31D_2 C231_2 H31F_2 109.5 . . ? H31E_2 C231_2 H31F_2 109.5 . . ? C233_2 C232_2 C237_2 115(3) . . ? C233_2 C232_2 S4_2 126(2) . . ? C237_2 C232_2 S4_2 119(3) . . ? C234_2 C233_2 C232_2 122(3) . . ? C234_2 C233_2 H233_2 118.7 . . ? C232_2 C233_2 H233_2 118.8 . . ? C233_2 C234_2 C235_2 120(3) . . ? C233_2 C234_2 H234_2 119.8 . . ? C235_2 C234_2 H234_2 119.9 . . ? C234_2 C235_2 C236_2 117(3) . . ? C234_2 C235_2 C238_2 118(3) . . ? C236_2 C235_2 C238_2 123(3) . . ? C237_2 C236_2 C235_2 118(5) . . ? C237_2 C236_2 H236_2 121.1 . . ? C235_2 C236_2 H236_2 121.3 . . ? C236_2 C237_2 C232_2 122(5) . . ? C236_2 C237_2 H237_2 118.8 . . ? C232_2 C237_2 H237_2 118.8 . . ? C235_2 C238_2 H38D_2 109.4 . . ? C235_2 C238_2 H38E_2 109.6 . . ? H38D_2 C238_2 H38E_2 109.5 . . ? C235_2 C238_2 H38F_2 109.4 . . ? H38D_2 C238_2 H38F_2 109.5 . . ? H38E_2 C238_2 H38F_2 109.5 . . ? O66_3 S5_3 O63_3 114.9(11) . . ? O66_3 S5_3 O64_3 111.3(10) . . ? O63_3 S5_3 O64_3 109.5(10) . . ? O66_3 S5_3 C239_3 108.1(11) . . ? O63_3 S5_3 C239_3 106.8(11) . . ? O64_3 S5_3 C239_3 105.8(11) . . ? O62_3 S6_3 O86_3 113.5(10) . . ? O62_3 S6_3 O65_3 109.7(10) . . ? O86_3 S6_3 O65_3 111.4(9) . . ? O62_3 S6_3 C246_3 106.0(10) . . ? O86_3 S6_3 C246_3 108.7(11) . . ? O65_3 S6_3 C246_3 107.2(11) . . ? O77_3 S7_3 O67_3 110.1(13) . . ? O77_3 S7_3 O68_3 112.3(15) . . ? O67_3 S7_3 O68_3 113.1(13) . . ? O77_3 S7_3 C253_3 104.4(12) . . ? O67_3 S7_3 C253_3 109.7(12) . . ? O68_3 S7_3 C253_3 106.9(14) . . ? O74_3 S8_3 O71_3 111.4(13) . . ? O74_3 S8_3 O73_3 112.9(14) . . ? O71_3 S8_3 O73_3 113.7(14) . . ? O74_3 S8_3 C260_3 106.0(15) . . ? O71_3 S8_3 C260_3 104.0(14) . . ? O73_3 S8_3 C260_3 108.2(13) . . ? O80_3 S9_3 O70_3 113.9(13) . . ? O80_3 S9_3 O79_3 111.6(14) . . ? O70_3 S9_3 O79_3 112.0(14) . . ? O80_3 S9_3 C267_3 107.3(13) . . ? O70_3 S9_3 C267_3 105.3(13) . . ? O79_3 S9_3 C267_3 106.1(14) . . ? O69_3 S10_3 O76_3 111.8(13) . . ? O69_3 S10_3 O75_3 112.0(13) . . ? O76_3 S10_3 O75_3 111.9(14) . . ? O69_3 S10_3 C274_3 110.0(14) . . ? O76_3 S10_3 C274_3 105.5(13) . . ? O75_3 S10_3 C274_3 105.1(12) . . ? O81_3 S11_3 O72_3 110.2(15) . . ? O81_3 S11_3 O78_3 109.5(19) . . ? O72_3 S11_3 O78_3 113.9(17) . . ? O81_3 S11_3 C281_3 106.4(16) . . ? O72_3 S11_3 C281_3 110.9(13) . . ? O78_3 S11_3 C281_3 105.6(15) . . ? O85_3 S12_3 O84_3 115(2) . . ? O85_3 S12_3 O83_3 107.8(19) . . ? O84_3 S12_3 O83_3 109(2) . . ? O85_3 S12_3 C288_3 121.4(18) . . ? O84_3 S12_3 C288_3 104.2(18) . . ? O83_3 S12_3 C288_3 97.8(16) . . ? Sn1_1 O82_3 Sn8_1 102.8(7) . . ? Sn1_1 O82_3 H82_3 128.6 . . ? Sn8_1 O82_3 H82_3 128.6 . . ? C304_3 O87_3 C305_3 104(3) . . ? C306_3 O88_3 C309_3 136(2) . . ? C240_3 C239_3 C244_3 118(2) . . ? C240_3 C239_3 S5_3 122(2) . . ? C244_3 C239_3 S5_3 120(2) . . ? C239_3 C240_3 C241_3 122(3) . . ? C239_3 C240_3 H240_3 119.1 . . ? C241_3 C240_3 H240_3 119.2 . . ? C242_3 C241_3 C240_3 118(3) . . ? C242_3 C241_3 H241_3 121.2 . . ? C240_3 C241_3 H241_3 121.2 . . ? C243_3 C242_3 C241_3 124(3) . . ? C243_3 C242_3 C245_3 121(3) . . ? C241_3 C242_3 C245_3 115(3) . . ? C242_3 C243_3 C244_3 119(3) . . ? C242_3 C243_3 H243_3 120.3 . . ? C244_3 C243_3 H243_3 120.4 . . ? C239_3 C244_3 C243_3 119(3) . . ? C239_3 C244_3 H244_3 120.6 . . ? C243_3 C244_3 H244_3 120.6 . . ? C242_3 C245_3 H45A_3 109.5 . . ? C242_3 C245_3 H54B_3 109.4 . . ? H45A_3 C245_3 H54B_3 109.5 . . ? C242_3 C245_3 H45C_3 109.5 . . ? H45A_3 C245_3 H45C_3 109.5 . . ? H54B_3 C245_3 H45C_3 109.5 . . ? C251_3 C246_3 C247_3 119(2) . . ? C251_3 C246_3 S6_3 121(2) . . ? C247_3 C246_3 S6_3 120.7(18) . . ? C248_3 C247_3 C246_3 120(2) . . ? C248_3 C247_3 H247_3 120.1 . . ? C246_3 C247_3 H247_3 120.0 . . ? C249_3 C248_3 C247_3 121(3) . . ? C249_3 C248_3 H248_3 119.5 . . ? C247_3 C248_3 H248_3 119.4 . . ? C248_3 C249_3 C250_3 120(3) . . ? C248_3 C249_3 C252_3 123(3) . . ? C250_3 C249_3 C252_3 117(3) . . ? C249_3 C250_3 C251_3 120(3) . . ? C249_3 C250_3 H250_3 120.0 . . ? C251_3 C250_3 H250_3 120.0 . . ? C246_3 C251_3 C250_3 120(3) . . ? C246_3 C251_3 H251_3 120.1 . . ? C250_3 C251_3 H251_3 120.1 . . ? C249_3 C252_3 H52A_3 109.4 . . ? C249_3 C252_3 H52B_3 109.5 . . ? H52A_3 C252_3 H52B_3 109.5 . . ? C249_3 C252_3 H52C_3 109.5 . . ? H52A_3 C252_3 H52C_3 109.5 . . ? H52B_3 C252_3 H52C_3 109.5 . . ? C254_3 C253_3 C258_3 121(3) . . ? C254_3 C253_3 S7_3 120(2) . . ? C258_3 C253_3 S7_3 119(2) . . ? C253_3 C254_3 C255_3 118(3) . . ? C253_3 C254_3 H254_3 121.2 . . ? C255_3 C254_3 H254_3 121.3 . . ? C256_3 C255_3 C254_3 123(3) . . ? C256_3 C255_3 H255_3 118.4 . . ? C254_3 C255_3 H255_3 118.3 . . ? C257_3 C256_3 C255_3 116(3) . . ? C257_3 C256_3 C259_3 125(3) . . ? C255_3 C256_3 C259_3 119(3) . . ? C256_3 C257_3 C258_3 123(3) . . ? C256_3 C257_3 H257_3 118.6 . . ? C258_3 C257_3 H257_3 118.5 . . ? C257_3 C258_3 C253_3 119(3) . . ? C257_3 C258_3 H258_3 120.5 . . ? C253_3 C258_3 H258_3 120.5 . . ? C256_3 C259_3 H59A_3 109.5 . . ? C256_3 C259_3 H59B_3 109.5 . . ? H59A_3 C259_3 H59B_3 109.5 . . ? C256_3 C259_3 H59C_3 109.4 . . ? H59A_3 C259_3 H59C_3 109.5 . . ? H59B_3 C259_3 H59C_3 109.5 . . ? C265_3 C260_3 C261_3 123(3) . . ? C265_3 C260_3 S8_3 117(3) . . ? C261_3 C260_3 S8_3 121(3) . . ? C260_3 C261_3 C262_3 119(3) . . ? C260_3 C261_3 H261_3 120.3 . . ? C262_3 C261_3 H261_3 120.4 . . ? C263_3 C262_3 C261_3 118(3) . . ? C263_3 C262_3 H262_3 121.0 . . ? C261_3 C262_3 H262_3 121.0 . . ? C264_3 C263_3 C262_3 120(4) . . ? C264_3 C263_3 C266_3 123(4) . . ? C262_3 C263_3 C266_3 117(4) . . ? C263_3 C264_3 C265_3 122(4) . . ? C263_3 C264_3 H264_3 119.0 . . ? C265_3 C264_3 H264_3 119.2 . . ? C260_3 C265_3 C264_3 118(4) . . ? C260_3 C265_3 H265_3 121.1 . . ? C264_3 C265_3 H265_3 121.1 . . ? C263_3 C266_3 H66A_3 109.6 . . ? C263_3 C266_3 H66B_3 109.5 . . ? H66A_3 C266_3 H66B_3 109.5 . . ? C263_3 C266_3 H66C_3 109.3 . . ? H66A_3 C266_3 H66C_3 109.5 . . ? H66B_3 C266_3 H66C_3 109.5 . . ? C272_3 C267_3 C268_3 121(3) . . ? C272_3 C267_3 S9_3 121(2) . . ? C268_3 C267_3 S9_3 117(2) . . ? C267_3 C268_3 C269_3 117(3) . . ? C267_3 C268_3 H268_3 121.5 . . ? C269_3 C268_3 H268_3 121.6 . . ? C270_3 C269_3 C268_3 119(3) . . ? C270_3 C269_3 H269_3 120.5 . . ? C268_3 C269_3 H269_3 120.5 . . ? C271_3 C270_3 C269_3 121(3) . . ? C271_3 C270_3 C273_3 121(3) . . ? C269_3 C270_3 C273_3 117(3) . . ? C270_3 C271_3 C272_3 122(3) . . ? C270_3 C271_3 H271_3 119.2 . . ? C272_3 C271_3 H271_3 119.1 . . ? C267_3 C272_3 C271_3 118(3) . . ? C267_3 C272_3 H272_3 120.8 . . ? C271_3 C272_3 H272_3 120.8 . . ? C270_3 C273_3 H73A_3 109.4 . . ? C270_3 C273_3 H73B_3 109.6 . . ? H73A_3 C273_3 H73B_3 109.5 . . ? C270_3 C273_3 H73C_3 109.4 . . ? H73A_3 C273_3 H73C_3 109.5 . . ? H73B_3 C273_3 H73C_3 109.5 . . ? C275_3 C274_3 C279_3 122(3) . . ? C275_3 C274_3 S10_3 119(2) . . ? C279_3 C274_3 S10_3 119(2) . . ? C274_3 C275_3 C276_3 116(3) . . ? C274_3 C275_3 H275_3 122.0 . . ? C276_3 C275_3 H275_3 122.0 . . ? C277_3 C276_3 C275_3 126(4) . . ? C277_3 C276_3 H276_3 117.1 . . ? C275_3 C276_3 H276_3 117.2 . . ? C278_3 C277_3 C276_3 117(4) . . ? C278_3 C277_3 C280_3 125(4) . . ? C276_3 C277_3 C280_3 118(4) . . ? C277_3 C278_3 C279_3 125(4) . . ? C277_3 C278_3 H278_3 117.5 . . ? C279_3 C278_3 H278_3 117.6 . . ? C274_3 C279_3 C278_3 115(3) . . ? C274_3 C279_3 H279_3 122.5 . . ? C278_3 C279_3 H279_3 122.4 . . ? C277_3 C280_3 H80A_3 109.5 . . ? C277_3 C280_3 H90B_3 109.5 . . ? H80A_3 C280_3 H90B_3 109.5 . . ? C277_3 C280_3 H80C_3 109.4 . . ? H80A_3 C280_3 H80C_3 109.5 . . ? H90B_3 C280_3 H80C_3 109.5 . . ? C282_3 C281_3 C286_3 113(3) . . ? C282_3 C281_3 S11_3 121.8(19) . . ? C286_3 C281_3 S11_3 123(2) . . ? C281_3 C282_3 C283_3 124(3) . . ? C281_3 C282_3 H282_3 118.2 . . ? C283_3 C282_3 H282_3 118.1 . . ? C284_3 C283_3 C282_3 118(3) . . ? C284_3 C283_3 H283_3 120.7 . . ? C282_3 C283_3 H283_3 120.8 . . ? C283_3 C284_3 C285_3 117(3) . . ? C283_3 C284_3 C287_3 118(3) . . ? C285_3 C284_3 C287_3 121(3) . . ? C284_3 C285_3 C286_3 120(4) . . ? C284_3 C285_3 H285_3 119.9 . . ? C286_3 C285_3 H285_3 119.8 . . ? C285_3 C286_3 C281_3 122(4) . . ? C285_3 C286_3 H286_3 119.3 . . ? C281_3 C286_3 H286_3 119.2 . . ? C284_3 C287_3 H87A_3 109.6 . . ? C284_3 C287_3 H87B_3 109.5 . . ? H87A_3 C287_3 H87B_3 109.5 . . ? C284_3 C287_3 H87C_3 109.4 . . ? H87A_3 C287_3 H87C_3 109.5 . . ? H87B_3 C287_3 H87C_3 109.5 . . ? C293_3 C288_3 C289_3 106(3) . . ? C293_3 C288_3 S12_3 127(2) . . ? C289_3 C288_3 S12_3 127(2) . . ? C290_3 C289_3 C288_3 128(4) . . ? C290_3 C289_3 H289_3 115.7 . . ? C288_3 C289_3 H289_3 115.8 . . ? C289_3 C290_3 C291_3 117(3) . . ? C289_3 C290_3 H290_3 121.6 . . ? C291_3 C290_3 H290_3 121.5 . . ? C292_3 C291_3 C290_3 122(2) . . ? C292_3 C291_3 C294_3 112.4(19) . . ? C290_3 C291_3 C294_3 125(2) . . ? C291_3 C292_3 C293_3 111(2) . . ? C291_3 C292_3 H292_3 124.7 . . ? C293_3 C292_3 H292_3 124.6 . . ? C292_3 C293_3 C288_3 135(3) . . ? C292_3 C293_3 H293_3 112.6 . . ? C288_3 C293_3 H293_3 112.5 . . ? C291_3 C294_3 H94A_3 109.7 . . ? C291_3 C294_3 H94B_3 109.4 . . ? H94A_3 C294_3 H94B_3 109.5 . . ? C291_3 C294_3 H94C_3 109.3 . . ? H94A_3 C294_3 H94C_3 109.5 . . ? H94B_3 C294_3 H94C_3 109.5 . . ? C300_3 C295_3 C296_3 120(3) . . ? C300_3 C295_3 C301_3 122(2) . . ? C296_3 C295_3 C301_3 116(2) . . ? C297_3 C296_3 C295_3 117(3) . . ? C297_3 C296_3 H296_3 121.6 . . ? C295_3 C296_3 H296_3 121.7 . . ? C296_3 C297_3 C298_3 123(3) . . ? C296_3 C297_3 H297_3 118.3 . . ? C298_3 C297_3 H297_3 118.2 . . ? C299_3 C298_3 C297_3 119(3) . . ? C299_3 C298_3 H298_3 120.3 . . ? C297_3 C298_3 H298_3 120.7 . . ? C298_3 C299_3 C300_3 118(3) . . ? C298_3 C299_3 H299_3 121.0 . . ? C300_3 C299_3 H299_3 120.8 . . ? C295_3 C300_3 C299_3 122(3) . . ? C295_3 C300_3 H300_3 118.9 . . ? C299_3 C300_3 H300_3 119.1 . . ? C295_3 C301_3 H01A_3 109.4 . . ? C295_3 C301_3 H01B_3 109.5 . . ? H01A_3 C301_3 H01B_3 109.5 . . ? C295_3 C301_3 H01C_3 109.5 . . ? H01A_3 C301_3 H01C_3 109.5 . . ? H01B_3 C301_3 H01C_3 109.5 . . ? C303_3 C302_3 C305_3 91(3) . . ? C303_3 C302_3 H02A_3 113.3 . . ? C305_3 C302_3 H02A_3 113.4 . . ? C303_3 C302_3 H02B_3 113.4 . . ? C305_3 C302_3 H02B_3 113.5 . . ? H02A_3 C302_3 H02B_3 110.7 . . ? C302_3 C303_3 C304_3 116(3) . . ? C302_3 C303_3 H03A_3 108.3 . . ? C304_3 C303_3 H03A_3 108.4 . . ? C302_3 C303_3 H03B_3 108.3 . . ? C304_3 C303_3 H03B_3 108.0 . . ? H03A_3 C303_3 H03B_3 107.4 . . ? O87_3 C304_3 C303_3 106(3) . . ? O87_3 C304_3 H04A_3 110.8 . . ? C303_3 C304_3 H04A_3 110.8 . . ? O87_3 C304_3 H04B_3 110.4 . . ? C303_3 C304_3 H04B_3 110.4 . . ? H04A_3 C304_3 H04B_3 108.8 . . ? O87_3 C305_3 C302_3 122(3) . . ? O87_3 C305_3 H05A_3 106.7 . . ? C302_3 C305_3 H05A_3 106.6 . . ? O87_3 C305_3 H05B_3 106.8 . . ? C302_3 C305_3 H05B_3 106.7 . . ? H05A_3 C305_3 H05B_3 106.6 . . ? O88_3 C306_3 C307_3 88.9(18) . . ? O88_3 C306_3 H06A_3 114.1 . . ? C307_3 C306_3 H06A_3 113.4 . . ? O88_3 C306_3 H06B_3 114.1 . . ? C307_3 C306_3 H06B_3 113.6 . . ? H06A_3 C306_3 H06B_3 111.1 . . ? C308_3 C307_3 C306_3 114.0(19) . . ? C308_3 C307_3 H07A_3 108.5 . . ? C306_3 C307_3 H07A_3 109.1 . . ? C308_3 C307_3 H07B_3 108.3 . . ? C306_3 C307_3 H07B_3 109.1 . . ? H07A_3 C307_3 H07B_3 107.6 . . ? C307_3 C308_3 C309_3 108.8(19) . . ? C307_3 C308_3 H08A_3 110.3 . . ? C309_3 C308_3 H08A_3 109.6 . . ? C307_3 C308_3 H08B_3 110.1 . . ? C309_3 C308_3 H08B_3 109.6 . . ? H08A_3 C308_3 H08B_3 108.4 . . ? O88_3 C309_3 C308_3 91.9(18) . . ? O88_3 C309_3 H09A_3 112.7 . . ? C308_3 C309_3 H09A_3 113.6 . . ? O88_3 C309_3 H09B_3 113.2 . . ? C308_3 C309_3 H09B_3 113.7 . . ? H09A_3 C309_3 H09B_3 110.6 . . ? 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 O4_1 Sn1_1 Sn5_1 O7_1 -82.1(7) . . . . ? O11_1 Sn1_1 Sn5_1 O7_1 178.4(8) . . . . ? O23_1 Sn1_1 Sn5_1 O7_1 15.5(8) . . . . ? O14_1 Sn1_1 Sn5_1 O7_1 96.5(7) . . . . ? O82_3 Sn1_1 Sn5_1 O7_1 5.7(7) . . . . ? O12_1 Sn1_1 Sn5_1 O7_1 179.5(8) . . . . ? Sn6_1 Sn1_1 Sn5_1 O7_1 136.6(5) . . . . ? Sn8_1 Sn1_1 Sn5_1 O7_1 4.4(5) . . . . ? O4_1 Sn1_1 Sn5_1 O13_1 77.0(7) . . . . ? O11_1 Sn1_1 Sn5_1 O13_1 -22.5(8) . . . . ? O23_1 Sn1_1 Sn5_1 O13_1 174.7(8) . . . . ? O14_1 Sn1_1 Sn5_1 O13_1 -104.4(7) . . . . ? O82_3 Sn1_1 Sn5_1 O13_1 164.9(7) . . . . ? O12_1 Sn1_1 Sn5_1 O13_1 -21.3(8) . . . . ? Sn6_1 Sn1_1 Sn5_1 O13_1 -64.2(5) . . . . ? Sn8_1 Sn1_1 Sn5_1 O13_1 163.5(5) . . . . ? O4_1 Sn1_1 Sn5_1 O27_1 179.9(6) . . . . ? O11_1 Sn1_1 Sn5_1 O27_1 80.4(7) . . . . ? O23_1 Sn1_1 Sn5_1 O27_1 -82.5(7) . . . . ? O14_1 Sn1_1 Sn5_1 O27_1 -1.5(6) . . . . ? O82_3 Sn1_1 Sn5_1 O27_1 -92.3(6) . . . . ? O12_1 Sn1_1 Sn5_1 O27_1 81.5(8) . . . . ? Sn6_1 Sn1_1 Sn5_1 O27_1 38.6(5) . . . . ? Sn8_1 Sn1_1 Sn5_1 O27_1 -93.6(5) . . . . ? O4_1 Sn1_1 Sn5_1 O12_1 98.3(8) . . . . ? O11_1 Sn1_1 Sn5_1 O12_1 -1.2(8) . . . . ? O23_1 Sn1_1 Sn5_1 O12_1 -164.0(9) . . . . ? O14_1 Sn1_1 Sn5_1 O12_1 -83.1(8) . . . . ? O82_3 Sn1_1 Sn5_1 O12_1 -173.8(7) . . . . ? Sn6_1 Sn1_1 Sn5_1 O12_1 -42.9(6) . . . . ? Sn8_1 Sn1_1 Sn5_1 O12_1 -175.2(6) . . . . ? O4_1 Sn1_1 Sn5_1 O23_1 -97.7(7) . . . . ? O11_1 Sn1_1 Sn5_1 O23_1 162.8(8) . . . . ? O14_1 Sn1_1 Sn5_1 O23_1 81.0(7) . . . . ? O82_3 Sn1_1 Sn5_1 O23_1 -9.8(7) . . . . ? O12_1 Sn1_1 Sn5_1 O23_1 164.0(9) . . . . ? Sn6_1 Sn1_1 Sn5_1 O23_1 121.1(6) . . . . ? Sn8_1 Sn1_1 Sn5_1 O23_1 -11.1(6) . . . . ? O4_1 Sn1_1 Sn5_1 O28_1 -2.7(7) . . . . ? O11_1 Sn1_1 Sn5_1 O28_1 -102.2(7) . . . . ? O23_1 Sn1_1 Sn5_1 O28_1 94.9(8) . . . . ? O14_1 Sn1_1 Sn5_1 O28_1 175.9(7) . . . . ? O82_3 Sn1_1 Sn5_1 O28_1 85.1(6) . . . . ? O12_1 Sn1_1 Sn5_1 O28_1 -101.0(8) . . . . ? Sn6_1 Sn1_1 Sn5_1 O28_1 -144.0(5) . . . . ? Sn8_1 Sn1_1 Sn5_1 O28_1 83.8(5) . . . . ? O4_1 Sn1_1 Sn6_1 O17_1 -112.5(7) . . . . ? O11_1 Sn1_1 Sn6_1 O17_1 -110.5(8) . . . . ? O23_1 Sn1_1 Sn6_1 O17_1 54.7(7) . . . . ? O14_1 Sn1_1 Sn6_1 O17_1 90.6(8) . . . . ? O82_3 Sn1_1 Sn6_1 O17_1 142.4(6) . . . . ? O12_1 Sn1_1 Sn6_1 O17_1 -14.7(6) . . . . ? Sn5_1 Sn1_1 Sn6_1 O17_1 10.8(5) . . . . ? Sn8_1 Sn1_1 Sn6_1 O17_1 104.1(5) . . . . ? O4_1 Sn1_1 Sn6_1 O11_1 -2.0(9) . . . . ? O23_1 Sn1_1 Sn6_1 O11_1 165.3(9) . . . . ? O14_1 Sn1_1 Sn6_1 O11_1 -158.9(10) . . . . ? O82_3 Sn1_1 Sn6_1 O11_1 -107.1(8) . . . . ? O12_1 Sn1_1 Sn6_1 O11_1 95.8(8) . . . . ? Sn5_1 Sn1_1 Sn6_1 O11_1 121.3(7) . . . . ? Sn8_1 Sn1_1 Sn6_1 O11_1 -145.3(7) . . . . ? O4_1 Sn1_1 Sn6_1 O24_1 -8.6(7) . . . . ? O11_1 Sn1_1 Sn6_1 O24_1 -6.6(8) . . . . ? O23_1 Sn1_1 Sn6_1 O24_1 158.7(7) . . . . ? O14_1 Sn1_1 Sn6_1 O24_1 -165.5(8) . . . . ? O82_3 Sn1_1 Sn6_1 O24_1 -113.7(6) . . . . ? O12_1 Sn1_1 Sn6_1 O24_1 89.2(6) . . . . ? Sn5_1 Sn1_1 Sn6_1 O24_1 114.7(4) . . . . ? Sn8_1 Sn1_1 Sn6_1 O24_1 -151.9(4) . . . . ? O4_1 Sn1_1 Sn6_1 C76_1 109.9(9) . . . . ? O11_1 Sn1_1 Sn6_1 C76_1 111.9(10) . . . . ? O23_1 Sn1_1 Sn6_1 C76_1 -82.9(9) . . . . ? O14_1 Sn1_1 Sn6_1 C76_1 -47.0(10) . . . . ? O82_3 Sn1_1 Sn6_1 C76_1 4.8(9) . . . . ? O12_1 Sn1_1 Sn6_1 C76_1 -152.3(9) . . . . ? Sn5_1 Sn1_1 Sn6_1 C76_1 -126.8(8) . . . . ? Sn8_1 Sn1_1 Sn6_1 C76_1 -33.5(8) . . . . ? O4_1 Sn1_1 Sn6_1 O14_1 156.9(9) . . . . ? O11_1 Sn1_1 Sn6_1 O14_1 158.9(10) . . . . ? O23_1 Sn1_1 Sn6_1 O14_1 -35.8(8) . . . . ? O82_3 Sn1_1 Sn6_1 O14_1 51.8(8) . . . . ? O12_1 Sn1_1 Sn6_1 O14_1 -105.3(8) . . . . ? Sn5_1 Sn1_1 Sn6_1 O14_1 -79.8(7) . . . . ? Sn8_1 Sn1_1 Sn6_1 O14_1 13.6(7) . . . . ? O4_1 Sn1_1 Sn8_1 O23_1 107.1(8) . . . . ? O11_1 Sn1_1 Sn8_1 O23_1 -156.8(12) . . . . ? O14_1 Sn1_1 Sn8_1 O23_1 -90.7(8) . . . . ? O82_3 Sn1_1 Sn8_1 O23_1 -166.3(9) . . . . ? O12_1 Sn1_1 Sn8_1 O23_1 8.4(8) . . . . ? Sn5_1 Sn1_1 Sn8_1 O23_1 11.7(6) . . . . ? Sn6_1 Sn1_1 Sn8_1 O23_1 -99.4(7) . . . . ? O4_1 Sn1_1 Sn8_1 O82_3 -86.6(7) . . . . ? O11_1 Sn1_1 Sn8_1 O82_3 9.5(12) . . . . ? O23_1 Sn1_1 Sn8_1 O82_3 166.3(9) . . . . ? O14_1 Sn1_1 Sn8_1 O82_3 75.6(7) . . . . ? O12_1 Sn1_1 Sn8_1 O82_3 174.7(7) . . . . ? Sn5_1 Sn1_1 Sn8_1 O82_3 178.1(6) . . . . ? Sn6_1 Sn1_1 Sn8_1 O82_3 67.0(6) . . . . ? O4_1 Sn1_1 Sn8_1 O29_1 179.7(6) . . . . ? O11_1 Sn1_1 Sn8_1 O29_1 -84.2(11) . . . . ? O23_1 Sn1_1 Sn8_1 O29_1 72.6(8) . . . . ? O14_1 Sn1_1 Sn8_1 O29_1 -18.1(6) . . . . ? O82_3 Sn1_1 Sn8_1 O29_1 -93.7(7) . . . . ? O12_1 Sn1_1 Sn8_1 O29_1 81.0(6) . . . . ? Sn5_1 Sn1_1 Sn8_1 O29_1 84.3(4) . . . . ? Sn6_1 Sn1_1 Sn8_1 O29_1 -26.8(4) . . . . ? O4_1 Sn1_1 Sn8_1 O26_1 90.9(6) . . . . ? O11_1 Sn1_1 Sn8_1 O26_1 -173.0(11) . . . . ? O23_1 Sn1_1 Sn8_1 O26_1 -16.2(8) . . . . ? O14_1 Sn1_1 Sn8_1 O26_1 -107.0(6) . . . . ? O82_3 Sn1_1 Sn8_1 O26_1 177.4(8) . . . . ? O12_1 Sn1_1 Sn8_1 O26_1 -7.8(6) . . . . ? Sn5_1 Sn1_1 Sn8_1 O26_1 -4.5(5) . . . . ? Sn6_1 Sn1_1 Sn8_1 O26_1 -115.6(5) . . . . ? O4_1 Sn1_1 Sn8_1 C91_1 -79.6(10) . . . . ? O11_1 Sn1_1 Sn8_1 C91_1 16.5(14) . . . . ? O23_1 Sn1_1 Sn8_1 C91_1 173.3(11) . . . . ? O14_1 Sn1_1 Sn8_1 C91_1 82.6(10) . . . . ? O82_3 Sn1_1 Sn8_1 C91_1 7.0(11) . . . . ? O12_1 Sn1_1 Sn8_1 C91_1 -178.3(10) . . . . ? Sn5_1 Sn1_1 Sn8_1 C91_1 -175.0(9) . . . . ? Sn6_1 Sn1_1 Sn8_1 C91_1 74.0(9) . . . . ? O4_1 Sn1_1 Sn8_1 O8_1 7.6(6) . . . . ? O11_1 Sn1_1 Sn8_1 O8_1 103.7(11) . . . . ? O23_1 Sn1_1 Sn8_1 O8_1 -99.5(8) . . . . ? O14_1 Sn1_1 Sn8_1 O8_1 169.8(6) . . . . ? O82_3 Sn1_1 Sn8_1 O8_1 94.2(7) . . . . ? O12_1 Sn1_1 Sn8_1 O8_1 -91.1(6) . . . . ? Sn5_1 Sn1_1 Sn8_1 O8_1 -87.7(4) . . . . ? Sn6_1 Sn1_1 Sn8_1 O8_1 161.2(4) . . . . ? O4_1 Sn7_1 O2_1 Sn3_1 70.5(7) . . . . ? O22_1 Sn7_1 O2_1 Sn3_1 -16.3(6) . . . . ? C31_1 Sn7_1 O2_1 Sn3_1 -115.2(9) . . . . ? O3_1 Sn7_1 O2_1 Sn3_1 158.9(7) . . . . ? O22_1 Sn3_1 O2_1 Sn7_1 16.6(6) . . . . ? O11_1 Sn3_1 O2_1 Sn7_1 -77.6(7) . . . . ? O24_1 Sn3_1 O2_1 Sn7_1 -139.9(6) . . . . ? C16_1 Sn3_1 O2_1 Sn7_1 117.6(8) . . . . ? O20_1 Sn3_1 O2_1 Sn7_1 -19.1(14) . . . . ? O5_1 S2_1 O3_1 Sn7_1 -79.1(16) . . . . ? O1_1 S2_1 O3_1 Sn7_1 48.9(16) . . . . ? C113_1 S2_1 O3_1 Sn7_1 164.5(13) . . . . ? O4_1 Sn7_1 O3_1 S2_1 62.2(14) . . . . ? O2_1 Sn7_1 O3_1 S2_1 -45.6(14) . . . . ? O22_1 Sn7_1 O3_1 S2_1 -35(2) . . . . ? C31_1 Sn7_1 O3_1 S2_1 -168.0(15) . . . . ? O2_1 Sn7_1 O4_1 Sn1_1 -22.6(11) . . . . ? O22_1 Sn7_1 O4_1 Sn1_1 49.5(10) . . . . ? C31_1 Sn7_1 O4_1 Sn1_1 163.7(10) . . . . ? O3_1 Sn7_1 O4_1 Sn1_1 -105.3(10) . . . . ? O11_1 Sn1_1 O4_1 Sn7_1 2.0(10) . . . . ? O23_1 Sn1_1 O4_1 Sn7_1 -166.8(9) . . . . ? O14_1 Sn1_1 O4_1 Sn7_1 57(2) . . . . ? O82_3 Sn1_1 O4_1 Sn7_1 119.2(10) . . . . ? O12_1 Sn1_1 O4_1 Sn7_1 -88.6(10) . . . . ? Sn5_1 Sn1_1 O4_1 Sn7_1 -127.7(9) . . . . ? Sn6_1 Sn1_1 O4_1 Sn7_1 3.2(12) . . . . ? Sn8_1 Sn1_1 O4_1 Sn7_1 157.9(9) . . . . ? O17_1 Sn4_1 O9_1 Sn2_1 174.9(6) . . . . ? O20_1 Sn4_1 O9_1 Sn2_1 -57(2) . . . . ? O25_1 Sn4_1 O9_1 Sn2_1 -6.9(6) . . . . ? O12_1 Sn4_1 O9_1 Sn2_1 83.1(7) . . . . ? O16_1 Sn4_1 O9_1 Sn2_1 -92.0(7) . . . . ? O17_1 Sn4_1 O9_1 Sn10_1 33.5(13) . . . . ? O20_1 Sn4_1 O9_1 Sn10_1 162.1(16) . . . . ? O25_1 Sn4_1 O9_1 Sn10_1 -148.3(13) . . . . ? O12_1 Sn4_1 O9_1 Sn10_1 -58.3(12) . . . . ? O16_1 Sn4_1 O9_1 Sn10_1 126.6(13) . . . . ? O17_1 Sn4_1 O9_1 Sn9_1 -81.9(6) . . . . ? O20_1 Sn4_1 O9_1 Sn9_1 47(2) . . . . ? O25_1 Sn4_1 O9_1 Sn9_1 96.3(6) . . . . ? O12_1 Sn4_1 O9_1 Sn9_1 -173.7(6) . . . . ? O16_1 Sn4_1 O9_1 Sn9_1 11.2(5) . . . . ? O10_1 Sn2_1 O9_1 Sn4_1 -161.5(8) . . . . ? O15_1 Sn2_1 O9_1 Sn4_1 103.8(7) . . . . ? O25_1 Sn2_1 O9_1 Sn4_1 6.9(6) . . . . ? C1_1 Sn2_1 O9_1 Sn4_1 18(9) . . . . ? O13_1 Sn2_1 O9_1 Sn4_1 -75.8(7) . . . . ? O10_1 Sn2_1 O9_1 Sn10_1 -5.6(6) . . . . ? O15_1 Sn2_1 O9_1 Sn10_1 -100.2(7) . . . . ? O25_1 Sn2_1 O9_1 Sn10_1 162.9(8) . . . . ? C1_1 Sn2_1 O9_1 Sn10_1 174(8) . . . . ? O13_1 Sn2_1 O9_1 Sn10_1 80.2(6) . . . . ? O10_1 Sn2_1 O9_1 Sn9_1 95.7(6) . . . . ? O15_1 Sn2_1 O9_1 Sn9_1 1.0(5) . . . . ? O25_1 Sn2_1 O9_1 Sn9_1 -95.9(6) . . . . ? C1_1 Sn2_1 O9_1 Sn9_1 -85(9) . . . . ? O13_1 Sn2_1 O9_1 Sn9_1 -178.6(6) . . . . ? O18_1 Sn10_1 O9_1 Sn4_1 -37.0(12) . . . . ? O27_1 Sn10_1 O9_1 Sn4_1 53.0(12) . . . . ? C61_1 Sn10_1 O9_1 Sn4_1 145(9) . . . . ? O21_1 Sn10_1 O9_1 Sn4_1 -125.2(13) . . . . ? O10_1 Sn10_1 O9_1 Sn4_1 146.6(13) . . . . ? O18_1 Sn10_1 O9_1 Sn2_1 -178.2(7) . . . . ? O27_1 Sn10_1 O9_1 Sn2_1 -88.3(7) . . . . ? C61_1 Sn10_1 O9_1 Sn2_1 4(10) . . . . ? O21_1 Sn10_1 O9_1 Sn2_1 93.5(7) . . . . ? O10_1 Sn10_1 O9_1 Sn2_1 5.4(6) . . . . ? O18_1 Sn10_1 O9_1 Sn9_1 78.9(6) . . . . ? O27_1 Sn10_1 O9_1 Sn9_1 168.9(7) . . . . ? C61_1 Sn10_1 O9_1 Sn9_1 -99(10) . . . . ? O21_1 Sn10_1 O9_1 Sn9_1 -9.3(5) . . . . ? O10_1 Sn10_1 O9_1 Sn9_1 -97.5(6) . . . . ? O21_1 Sn9_1 O9_1 Sn4_1 155.0(7) . . . . ? O16_1 Sn9_1 O9_1 Sn4_1 -11.9(6) . . . . ? O15_1 Sn9_1 O9_1 Sn4_1 -108.4(7) . . . . ? O30_1 Sn9_1 O9_1 Sn4_1 73.4(7) . . . . ? C46_1 Sn9_1 O9_1 Sn4_1 -14(6) . . . . ? O21_1 Sn9_1 O9_1 Sn2_1 -97.7(6) . . . . ? O16_1 Sn9_1 O9_1 Sn2_1 95.5(6) . . . . ? O15_1 Sn9_1 O9_1 Sn2_1 -1.0(5) . . . . ? O30_1 Sn9_1 O9_1 Sn2_1 -179.2(6) . . . . ? C46_1 Sn9_1 O9_1 Sn2_1 94(6) . . . . ? O21_1 Sn9_1 O9_1 Sn10_1 9.9(5) . . . . ? O16_1 Sn9_1 O9_1 Sn10_1 -157.0(7) . . . . ? O15_1 Sn9_1 O9_1 Sn10_1 106.5(7) . . . . ? O30_1 Sn9_1 O9_1 Sn10_1 -71.6(6) . . . . ? C46_1 Sn9_1 O9_1 Sn10_1 -159(6) . . . . ? O15_1 Sn2_1 O10_1 Sn10_1 80.4(7) . . . . ? O25_1 Sn2_1 O10_1 Sn10_1 -13.1(13) . . . . ? C1_1 Sn2_1 O10_1 Sn10_1 -174.3(8) . . . . ? O9_1 Sn2_1 O10_1 Sn10_1 5.6(6) . . . . ? O13_1 Sn2_1 O10_1 Sn10_1 -83.7(7) . . . . ? O18_1 Sn10_1 O10_1 Sn2_1 -14.6(18) . . . . ? O27_1 Sn10_1 O10_1 Sn2_1 74.9(7) . . . . ? C61_1 Sn10_1 O10_1 Sn2_1 174.2(8) . . . . ? O21_1 Sn10_1 O10_1 Sn2_1 -83.3(7) . . . . ? O9_1 Sn10_1 O10_1 Sn2_1 -5.7(6) . . . . ? O4_1 Sn1_1 O11_1 Sn6_1 178.5(7) . . . . ? O23_1 Sn1_1 O11_1 Sn6_1 -42(2) . . . . ? O14_1 Sn1_1 O11_1 Sn6_1 13.7(6) . . . . ? O82_3 Sn1_1 O11_1 Sn6_1 90.5(7) . . . . ? O12_1 Sn1_1 O11_1 Sn6_1 -82.6(7) . . . . ? Sn5_1 Sn1_1 O11_1 Sn6_1 -81.9(7) . . . . ? Sn8_1 Sn1_1 O11_1 Sn6_1 83.8(11) . . . . ? O4_1 Sn1_1 O11_1 Sn3_1 -41.0(11) . . . . ? O23_1 Sn1_1 O11_1 Sn3_1 98(2) . . . . ? O14_1 Sn1_1 O11_1 Sn3_1 154.2(12) . . . . ? O82_3 Sn1_1 O11_1 Sn3_1 -129.0(10) . . . . ? O12_1 Sn1_1 O11_1 Sn3_1 57.9(11) . . . . ? Sn5_1 Sn1_1 O11_1 Sn3_1 58.6(12) . . . . ? Sn6_1 Sn1_1 O11_1 Sn3_1 140.5(15) . . . . ? Sn8_1 Sn1_1 O11_1 Sn3_1 -135.7(8) . . . . ? O17_1 Sn6_1 O11_1 Sn1_1 67.8(7) . . . . ? O24_1 Sn6_1 O11_1 Sn1_1 173.3(8) . . . . ? C76_1 Sn6_1 O11_1 Sn1_1 -103.5(10) . . . . ? O14_1 Sn6_1 O11_1 Sn1_1 -13.4(6) . . . . ? O17_1 Sn6_1 O11_1 Sn3_1 -85.4(7) . . . . ? O24_1 Sn6_1 O11_1 Sn3_1 20.1(6) . . . . ? C76_1 Sn6_1 O11_1 Sn3_1 103.4(11) . . . . ? O14_1 Sn6_1 O11_1 Sn3_1 -166.6(8) . . . . ? Sn1_1 Sn6_1 O11_1 Sn3_1 -153.2(11) . . . . ? O22_1 Sn3_1 O11_1 Sn1_1 9.4(11) . . . . ? O24_1 Sn3_1 O11_1 Sn1_1 -160.3(12) . . . . ? C16_1 Sn3_1 O11_1 Sn1_1 141(2) . . . . ? O20_1 Sn3_1 O11_1 Sn1_1 -74.9(11) . . . . ? O2_1 Sn3_1 O11_1 Sn1_1 78.6(11) . . . . ? O22_1 Sn3_1 O11_1 Sn6_1 149.7(7) . . . . ? O24_1 Sn3_1 O11_1 Sn6_1 -20.1(6) . . . . ? C16_1 Sn3_1 O11_1 Sn6_1 -78(3) . . . . ? O20_1 Sn3_1 O11_1 Sn6_1 65.3(7) . . . . ? O2_1 Sn3_1 O11_1 Sn6_1 -141.2(7) . . . . ? O7_1 Sn5_1 O12_1 Sn4_1 151(2) . . . . ? O13_1 Sn5_1 O12_1 Sn4_1 -43.7(9) . . . . ? O27_1 Sn5_1 O12_1 Sn4_1 47.0(10) . . . . ? O23_1 Sn5_1 O12_1 Sn4_1 142.4(10) . . . . ? O28_1 Sn5_1 O12_1 Sn4_1 -130.5(10) . . . . ? Sn1_1 Sn5_1 O12_1 Sn4_1 152.5(13) . . . . ? O7_1 Sn5_1 O12_1 Sn1_1 -2(3) . . . . ? O13_1 Sn5_1 O12_1 Sn1_1 163.8(6) . . . . ? O27_1 Sn5_1 O12_1 Sn1_1 -105.5(6) . . . . ? O23_1 Sn5_1 O12_1 Sn1_1 -10.1(5) . . . . ? O28_1 Sn5_1 O12_1 Sn1_1 77.1(7) . . . . ? O17_1 Sn4_1 O12_1 Sn5_1 -114.2(9) . . . . ? O20_1 Sn4_1 O12_1 Sn5_1 157.7(9) . . . . ? O9_1 Sn4_1 O12_1 Sn5_1 -11.3(10) . . . . ? O25_1 Sn4_1 O12_1 Sn5_1 63.4(9) . . . . ? O16_1 Sn4_1 O12_1 Sn5_1 16(4) . . . . ? O17_1 Sn4_1 O12_1 Sn1_1 31.8(9) . . . . ? O20_1 Sn4_1 O12_1 Sn1_1 -56.4(9) . . . . ? O9_1 Sn4_1 O12_1 Sn1_1 134.6(9) . . . . ? O25_1 Sn4_1 O12_1 Sn1_1 -150.6(8) . . . . ? O16_1 Sn4_1 O12_1 Sn1_1 162(3) . . . . ? O4_1 Sn1_1 O12_1 Sn5_1 -86.5(7) . . . . ? O11_1 Sn1_1 O12_1 Sn5_1 179.1(6) . . . . ? O23_1 Sn1_1 O12_1 Sn5_1 10.2(6) . . . . ? O14_1 Sn1_1 O12_1 Sn5_1 103.8(6) . . . . ? O82_3 Sn1_1 O12_1 Sn5_1 12.1(15) . . . . ? Sn6_1 Sn1_1 O12_1 Sn5_1 142.0(5) . . . . ? Sn8_1 Sn1_1 O12_1 Sn5_1 5.1(7) . . . . ? O4_1 Sn1_1 O12_1 Sn4_1 120.6(9) . . . . ? O11_1 Sn1_1 O12_1 Sn4_1 26.2(9) . . . . ? O23_1 Sn1_1 O12_1 Sn4_1 -142.7(9) . . . . ? O14_1 Sn1_1 O12_1 Sn4_1 -49.1(9) . . . . ? O82_3 Sn1_1 O12_1 Sn4_1 -140.8(10) . . . . ? Sn5_1 Sn1_1 O12_1 Sn4_1 -152.9(12) . . . . ? Sn6_1 Sn1_1 O12_1 Sn4_1 -10.9(7) . . . . ? Sn8_1 Sn1_1 O12_1 Sn4_1 -147.8(6) . . . . ? O7_1 Sn5_1 O13_1 Sn2_1 -131.3(9) . . . . ? O27_1 Sn5_1 O13_1 Sn2_1 -43.4(10) . . . . ? O12_1 Sn5_1 O13_1 Sn2_1 52.0(10) . . . . ? O23_1 Sn5_1 O13_1 Sn2_1 82(3) . . . . ? O28_1 Sn5_1 O13_1 Sn2_1 143.6(10) . . . . ? Sn1_1 Sn5_1 O13_1 Sn2_1 65.6(10) . . . . ? O10_1 Sn2_1 O13_1 Sn5_1 73.5(10) . . . . ? O15_1 Sn2_1 O13_1 Sn5_1 -1(3) . . . . ? O25_1 Sn2_1 O13_1 Sn5_1 -72.2(10) . . . . ? C1_1 Sn2_1 O13_1 Sn5_1 -175.0(11) . . . . ? O9_1 Sn2_1 O13_1 Sn5_1 -0.1(10) . . . . ? O4_1 Sn1_1 O14_1 Sn6_1 -70(2) . . . . ? O11_1 Sn1_1 O14_1 Sn6_1 -13.0(6) . . . . ? O23_1 Sn1_1 O14_1 Sn6_1 152.8(6) . . . . ? O82_3 Sn1_1 O14_1 Sn6_1 -132.9(7) . . . . ? O12_1 Sn1_1 O14_1 Sn6_1 75.2(7) . . . . ? Sn5_1 Sn1_1 O14_1 Sn6_1 114.2(5) . . . . ? Sn8_1 Sn1_1 O14_1 Sn6_1 -170.3(5) . . . . ? O17_1 Sn6_1 O14_1 Sn1_1 -83.7(7) . . . . ? O11_1 Sn6_1 O14_1 Sn1_1 13.0(6) . . . . ? O24_1 Sn6_1 O14_1 Sn1_1 23.6(13) . . . . ? C76_1 Sn6_1 O14_1 Sn1_1 145.8(7) . . . . ? O10_1 Sn2_1 O15_1 Sn9_1 -74.1(7) . . . . ? O25_1 Sn2_1 O15_1 Sn9_1 69.7(8) . . . . ? C1_1 Sn2_1 O15_1 Sn9_1 173.5(8) . . . . ? O9_1 Sn2_1 O15_1 Sn9_1 -1.3(7) . . . . ? O13_1 Sn2_1 O15_1 Sn9_1 0(2) . . . . ? O21_1 Sn9_1 O15_1 Sn2_1 72.2(7) . . . . ? O16_1 Sn9_1 O15_1 Sn2_1 -68.0(8) . . . . ? O30_1 Sn9_1 O15_1 Sn2_1 6(2) . . . . ? C46_1 Sn9_1 O15_1 Sn2_1 -171.4(8) . . . . ? O9_1 Sn9_1 O15_1 Sn2_1 1.1(6) . . . . ? O21_1 Sn9_1 O16_1 Sn4_1 -7.5(13) . . . . ? O15_1 Sn9_1 O16_1 Sn4_1 81.1(7) . . . . ? O30_1 Sn9_1 O16_1 Sn4_1 -78.4(7) . . . . ? C46_1 Sn9_1 O16_1 Sn4_1 -168.0(8) . . . . ? O9_1 Sn9_1 O16_1 Sn4_1 12.3(6) . . . . ? O17_1 Sn4_1 O16_1 Sn9_1 87.8(8) . . . . ? O20_1 Sn4_1 O16_1 Sn9_1 175.7(8) . . . . ? O9_1 Sn4_1 O16_1 Sn9_1 -14.0(7) . . . . ? O25_1 Sn4_1 O16_1 Sn9_1 -90.1(7) . . . . ? O12_1 Sn4_1 O16_1 Sn9_1 -42(3) . . . . ? O20_1 Sn4_1 O17_1 Sn6_1 35.4(12) . . . . ? O9_1 Sn4_1 O17_1 Sn6_1 -157.8(11) . . . . ? O25_1 Sn4_1 O17_1 Sn6_1 167(11) . . . . ? O12_1 Sn4_1 O17_1 Sn6_1 -63.5(12) . . . . ? O16_1 Sn4_1 O17_1 Sn6_1 124.4(11) . . . . ? O11_1 Sn6_1 O17_1 Sn4_1 19.5(12) . . . . ? O24_1 Sn6_1 O17_1 Sn4_1 -52.1(12) . . . . ? C76_1 Sn6_1 O17_1 Sn4_1 -168.8(11) . . . . ? O14_1 Sn6_1 O17_1 Sn4_1 91.6(11) . . . . ? Sn1_1 Sn6_1 O17_1 Sn4_1 53.4(10) . . . . ? O17_1 Sn4_1 O20_1 Sn3_1 -60.0(11) . . . . ? O9_1 Sn4_1 O20_1 Sn3_1 169.7(15) . . . . ? O25_1 Sn4_1 O20_1 Sn3_1 122.3(11) . . . . ? O12_1 Sn4_1 O20_1 Sn3_1 30.6(12) . . . . ? O16_1 Sn4_1 O20_1 Sn3_1 -155.8(11) . . . . ? O22_1 Sn3_1 O20_1 Sn4_1 -77.9(11) . . . . ? O11_1 Sn3_1 O20_1 Sn4_1 12.7(11) . . . . ? O24_1 Sn3_1 O20_1 Sn4_1 83.6(11) . . . . ? C16_1 Sn3_1 O20_1 Sn4_1 -177.9(11) . . . . ? O2_1 Sn3_1 O20_1 Sn4_1 -44.6(17) . . . . ? O16_1 Sn9_1 O21_1 Sn10_1 8.8(12) . . . . ? O15_1 Sn9_1 O21_1 Sn10_1 -79.5(7) . . . . ? O30_1 Sn9_1 O21_1 Sn10_1 81.0(7) . . . . ? C46_1 Sn9_1 O21_1 Sn10_1 167.8(8) . . . . ? O9_1 Sn9_1 O21_1 Sn10_1 -10.7(6) . . . . ? O18_1 Sn10_1 O21_1 Sn9_1 -73.6(7) . . . . ? O27_1 Sn10_1 O21_1 Sn9_1 7.0(19) . . . . ? C61_1 Sn10_1 O21_1 Sn9_1 -172.9(8) . . . . ? O9_1 Sn10_1 O21_1 Sn9_1 11.8(6) . . . . ? O10_1 Sn10_1 O21_1 Sn9_1 84.2(7) . . . . ? O11_1 Sn3_1 O22_1 Sn7_1 61.4(7) . . . . ? O24_1 Sn3_1 O22_1 Sn7_1 88.0(16) . . . . ? C16_1 Sn3_1 O22_1 Sn7_1 -105.7(8) . . . . ? O20_1 Sn3_1 O22_1 Sn7_1 145.5(7) . . . . ? O2_1 Sn3_1 O22_1 Sn7_1 -16.8(6) . . . . ? O4_1 Sn7_1 O22_1 Sn3_1 -90.2(7) . . . . ? O2_1 Sn7_1 O22_1 Sn3_1 17.6(6) . . . . ? C31_1 Sn7_1 O22_1 Sn3_1 136.8(8) . . . . ? O3_1 Sn7_1 O22_1 Sn3_1 6.5(17) . . . . ? O4_1 Sn1_1 O23_1 Sn8_1 -74.9(7) . . . . ? O11_1 Sn1_1 O23_1 Sn8_1 146.5(18) . . . . ? O14_1 Sn1_1 O23_1 Sn8_1 92.7(7) . . . . ? O82_3 Sn1_1 O23_1 Sn8_1 8.8(6) . . . . ? O12_1 Sn1_1 O23_1 Sn8_1 -172.1(7) . . . . ? Sn5_1 Sn1_1 O23_1 Sn8_1 -161.8(10) . . . . ? Sn6_1 Sn1_1 O23_1 Sn8_1 114.7(5) . . . . ? O4_1 Sn1_1 O23_1 Sn5_1 87.0(6) . . . . ? O11_1 Sn1_1 O23_1 Sn5_1 -52(2) . . . . ? O14_1 Sn1_1 O23_1 Sn5_1 -105.4(6) . . . . ? O82_3 Sn1_1 O23_1 Sn5_1 170.7(7) . . . . ? O12_1 Sn1_1 O23_1 Sn5_1 -10.3(6) . . . . ? Sn6_1 Sn1_1 O23_1 Sn5_1 -83.4(6) . . . . ? Sn8_1 Sn1_1 O23_1 Sn5_1 161.8(10) . . . . ? O82_3 Sn8_1 O23_1 Sn1_1 -8.8(6) . . . . ? O29_1 Sn8_1 O23_1 Sn1_1 -107.9(7) . . . . ? O26_1 Sn8_1 O23_1 Sn1_1 165.5(7) . . . . ? C91_1 Sn8_1 O23_1 Sn1_1 -40(6) . . . . ? O8_1 Sn8_1 O23_1 Sn1_1 73.9(7) . . . . ? O82_3 Sn8_1 O23_1 Sn5_1 -156.1(13) . . . . ? O29_1 Sn8_1 O23_1 Sn5_1 104.8(13) . . . . ? O26_1 Sn8_1 O23_1 Sn5_1 18.2(12) . . . . ? C91_1 Sn8_1 O23_1 Sn5_1 172(5) . . . . ? O8_1 Sn8_1 O23_1 Sn5_1 -73.4(13) . . . . ? Sn1_1 Sn8_1 O23_1 Sn5_1 -147.3(17) . . . . ? O7_1 Sn5_1 O23_1 Sn1_1 -167.6(6) . . . . ? O13_1 Sn5_1 O23_1 Sn1_1 -20(3) . . . . ? O27_1 Sn5_1 O23_1 Sn1_1 104.6(6) . . . . ? O12_1 Sn5_1 O23_1 Sn1_1 10.5(6) . . . . ? O28_1 Sn5_1 O23_1 Sn1_1 -81.8(6) . . . . ? O7_1 Sn5_1 O23_1 Sn8_1 -19.6(13) . . . . ? O13_1 Sn5_1 O23_1 Sn8_1 128(2) . . . . ? O27_1 Sn5_1 O23_1 Sn8_1 -107.4(13) . . . . ? O12_1 Sn5_1 O23_1 Sn8_1 158.5(13) . . . . ? O28_1 Sn5_1 O23_1 Sn8_1 66.2(13) . . . . ? Sn1_1 Sn5_1 O23_1 Sn8_1 148.0(16) . . . . ? O17_1 Sn6_1 O24_1 Sn3_1 69.4(7) . . . . ? O11_1 Sn6_1 O24_1 Sn3_1 -19.6(6) . . . . ? C76_1 Sn6_1 O24_1 Sn3_1 -153.5(8) . . . . ? O14_1 Sn6_1 O24_1 Sn3_1 -30.3(13) . . . . ? Sn1_1 Sn6_1 O24_1 Sn3_1 -15.4(7) . . . . ? O22_1 Sn3_1 O24_1 Sn6_1 -9(2) . . . . ? O11_1 Sn3_1 O24_1 Sn6_1 19.4(6) . . . . ? C16_1 Sn3_1 O24_1 Sn6_1 -175.3(7) . . . . ? O20_1 Sn3_1 O24_1 Sn6_1 -66.5(7) . . . . ? O2_1 Sn3_1 O24_1 Sn6_1 86.8(7) . . . . ? O17_1 Sn4_1 O25_1 Sn2_1 43(13) . . . . ? O20_1 Sn4_1 O25_1 Sn2_1 174.3(7) . . . . ? O9_1 Sn4_1 O25_1 Sn2_1 7.2(6) . . . . ? O12_1 Sn4_1 O25_1 Sn2_1 -86.7(7) . . . . ? O16_1 Sn4_1 O25_1 Sn2_1 85.7(7) . . . . ? O10_1 Sn2_1 O25_1 Sn4_1 12.0(13) . . . . ? O15_1 Sn2_1 O25_1 Sn4_1 -81.0(7) . . . . ? C1_1 Sn2_1 O25_1 Sn4_1 174.0(8) . . . . ? O9_1 Sn2_1 O25_1 Sn4_1 -7.0(6) . . . . ? O13_1 Sn2_1 O25_1 Sn4_1 83.4(7) . . . . ? O7_1 Sn5_1 O27_1 Sn10_1 129.3(13) . . . . ? O13_1 Sn5_1 O27_1 Sn10_1 28.5(13) . . . . ? O12_1 Sn5_1 O27_1 Sn10_1 -63.1(13) . . . . ? O23_1 Sn5_1 O27_1 Sn10_1 -141.5(12) . . . . ? O28_1 Sn5_1 O27_1 Sn10_1 97(5) . . . . ? Sn1_1 Sn5_1 O27_1 Sn10_1 -103.1(12) . . . . ? O18_1 Sn10_1 O27_1 Sn5_1 110.6(13) . . . . ? C61_1 Sn10_1 O27_1 Sn5_1 -149.7(13) . . . . ? O21_1 Sn10_1 O27_1 Sn5_1 30(2) . . . . ? O9_1 Sn10_1 O27_1 Sn5_1 25.7(12) . . . . ? O10_1 Sn10_1 O27_1 Sn5_1 -45.5(13) . . . . ? O19_1 S1_1 O29_1 Sn8_1 -46.4(18) . . . . ? O6_1 S1_1 O29_1 Sn8_1 83.9(17) . . . . ? C106_1 S1_1 O29_1 Sn8_1 -158.4(15) . . . . ? O23_1 Sn8_1 O29_1 S1_1 -17.7(15) . . . . ? O82_3 Sn8_1 O29_1 S1_1 -91.3(16) . . . . ? O26_1 Sn8_1 O29_1 S1_1 65.0(16) . . . . ? C91_1 Sn8_1 O29_1 S1_1 168.7(16) . . . . ? O8_1 Sn8_1 O29_1 S1_1 -9(4) . . . . ? Sn1_1 Sn8_1 O29_1 S1_1 -52.5(15) . . . . ? O10_1 Sn2_1 C1_1 C6_1 -150.5(18) . . . . ? O15_1 Sn2_1 C1_1 C6_1 -55(2) . . . . ? O25_1 Sn2_1 C1_1 C6_1 41(2) . . . . ? O9_1 Sn2_1 C1_1 C6_1 30(10) . . . . ? O13_1 Sn2_1 C1_1 C6_1 124(2) . . . . ? O10_1 Sn2_1 C1_1 C2_1 39(2) . . . . ? O15_1 Sn2_1 C1_1 C2_1 134.9(19) . . . . ? O25_1 Sn2_1 C1_1 C2_1 -129.8(19) . . . . ? O9_1 Sn2_1 C1_1 C2_1 -141(8) . . . . ? O13_1 Sn2_1 C1_1 C2_1 -47.0(19) . . . . ? C6_1 C1_1 C2_1 C3_1 -3(4) . . . . ? Sn2_1 C1_1 C2_1 C3_1 167.6(18) . . . . ? C6_1 C1_1 C2_1 C7_1 175(2) . . . . ? Sn2_1 C1_1 C2_1 C7_1 -14(3) . . . . ? C1_1 C2_1 C3_1 C4_1 2(4) . . . . ? C7_1 C2_1 C3_1 C4_1 -176(2) . . . . ? C2_1 C3_1 C4_1 C5_1 0(4) . . . . ? C2_1 C3_1 C4_1 C10_1 -175(2) . . . . ? C3_1 C4_1 C5_1 C6_1 -1(4) . . . . ? C10_1 C4_1 C5_1 C6_1 174(2) . . . . ? C2_1 C1_1 C6_1 C5_1 2(4) . . . . ? Sn2_1 C1_1 C6_1 C5_1 -169.0(18) . . . . ? C2_1 C1_1 C6_1 C13_1 -177(2) . . . . ? Sn2_1 C1_1 C6_1 C13_1 12(4) . . . . ? C4_1 C5_1 C6_1 C1_1 0(4) . . . . ? C4_1 C5_1 C6_1 C13_1 179(2) . . . . ? C1_1 C2_1 C7_1 C8_1 125(3) . . . . ? C3_1 C2_1 C7_1 C8_1 -56(3) . . . . ? C1_1 C2_1 C7_1 C9_1 -112(3) . . . . ? C3_1 C2_1 C7_1 C9_1 66(3) . . . . ? C3_1 C4_1 C10_1 C12_1 61(4) . . . . ? C5_1 C4_1 C10_1 C12_1 -114(3) . . . . ? C3_1 C4_1 C10_1 C11_1 -54(4) . . . . ? C5_1 C4_1 C10_1 C11_1 131(4) . . . . ? C1_1 C6_1 C13_1 C15_1 -121(3) . . . . ? C5_1 C6_1 C13_1 C15_1 60(3) . . . . ? C1_1 C6_1 C13_1 C14_1 112(3) . . . . ? C5_1 C6_1 C13_1 C14_1 -67(3) . . . . ? O22_1 Sn3_1 C16_1 C21_1 129.3(19) . . . . ? O11_1 Sn3_1 C16_1 C21_1 -1(4) . . . . ? O24_1 Sn3_1 C16_1 C21_1 -56(2) . . . . ? O20_1 Sn3_1 C16_1 C21_1 -142.7(18) . . . . ? O2_1 Sn3_1 C16_1 C21_1 60(2) . . . . ? O22_1 Sn3_1 C16_1 C17_1 -50(2) . . . . ? O11_1 Sn3_1 C16_1 C17_1 179(79) . . . . ? O24_1 Sn3_1 C16_1 C17_1 124.9(19) . . . . ? O20_1 Sn3_1 C16_1 C17_1 38(2) . . . . ? O2_1 Sn3_1 C16_1 C17_1 -119.7(19) . . . . ? C21_1 C16_1 C17_1 C18_1 -3(4) . . . . ? Sn3_1 C16_1 C17_1 C18_1 176.4(18) . . . . ? C21_1 C16_1 C17_1 C22_1 178(3) . . . . ? Sn3_1 C16_1 C17_1 C22_1 -3(4) . . . . ? C16_1 C17_1 C18_1 C19_1 0(4) . . . . ? C22_1 C17_1 C18_1 C19_1 180(2) . . . . ? C17_1 C18_1 C19_1 C20_1 3(4) . . . . ? C17_1 C18_1 C19_1 C25_1 -179(2) . . . . ? C18_1 C19_1 C20_1 C21_1 -3(4) . . . . ? C25_1 C19_1 C20_1 C21_1 179(2) . . . . ? C17_1 C16_1 C21_1 C20_1 3(4) . . . . ? Sn3_1 C16_1 C21_1 C20_1 -176.3(19) . . . . ? C17_1 C16_1 C21_1 C28_1 -172(2) . . . . ? Sn3_1 C16_1 C21_1 C28_1 8(3) . . . . ? C19_1 C20_1 C21_1 C16_1 0(4) . . . . ? C19_1 C20_1 C21_1 C28_1 175(2) . . . . ? C18_1 C17_1 C22_1 C23_1 -74(4) . . . . ? C16_1 C17_1 C22_1 C23_1 105(4) . . . . ? C18_1 C17_1 C22_1 C24_1 83(2) . . . . ? C16_1 C17_1 C22_1 C24_1 -97(4) . . . . ? C18_1 C19_1 C25_1 C27_1 -155(3) . . . . ? C20_1 C19_1 C25_1 C27_1 22(4) . . . . ? C18_1 C19_1 C25_1 C26_1 72(3) . . . . ? C20_1 C19_1 C25_1 C26_1 -111(3) . . . . ? C16_1 C21_1 C28_1 C30_1 -127(3) . . . . ? C20_1 C21_1 C28_1 C30_1 57(3) . . . . ? C16_1 C21_1 C28_1 C29_1 110(3) . . . . ? C20_1 C21_1 C28_1 C29_1 -66(3) . . . . ? O4_1 Sn7_1 C31_1 C32_1 12(2) . . . . ? O2_1 Sn7_1 C31_1 C32_1 -161.2(17) . . . . ? O22_1 Sn7_1 C31_1 C32_1 119.6(19) . . . . ? O3_1 Sn7_1 C31_1 C32_1 -79.4(19) . . . . ? O4_1 Sn7_1 C31_1 C36_1 -169.8(15) . . . . ? O2_1 Sn7_1 C31_1 C36_1 17(2) . . . . ? O22_1 Sn7_1 C31_1 C36_1 -62(2) . . . . ? O3_1 Sn7_1 C31_1 C36_1 99.1(19) . . . . ? C36_1 C31_1 C32_1 C33_1 -2(4) . . . . ? Sn7_1 C31_1 C32_1 C33_1 176.9(18) . . . . ? C36_1 C31_1 C32_1 C37_1 -179(2) . . . . ? Sn7_1 C31_1 C32_1 C37_1 -1(3) . . . . ? C31_1 C32_1 C33_1 C34_1 3(4) . . . . ? C37_1 C32_1 C33_1 C34_1 -179(3) . . . . ? C32_1 C33_1 C34_1 C35_1 -3(5) . . . . ? C32_1 C33_1 C34_1 C40_1 175(3) . . . . ? C33_1 C34_1 C35_1 C36_1 1(5) . . . . ? C40_1 C34_1 C35_1 C36_1 -177(2) . . . . ? C32_1 C31_1 C36_1 C35_1 0(4) . . . . ? Sn7_1 C31_1 C36_1 C35_1 -178.9(19) . . . . ? C32_1 C31_1 C36_1 C43_1 179(2) . . . . ? Sn7_1 C31_1 C36_1 C43_1 1(3) . . . . ? C34_1 C35_1 C36_1 C31_1 1(4) . . . . ? C34_1 C35_1 C36_1 C43_1 -179(3) . . . . ? C33_1 C32_1 C37_1 C38_1 44(3) . . . . ? C31_1 C32_1 C37_1 C38_1 -139(2) . . . . ? C33_1 C32_1 C37_1 C39_1 -85(3) . . . . ? C31_1 C32_1 C37_1 C39_1 92(3) . . . . ? C33_1 C34_1 C40_1 C42_1 44(4) . . . . ? C35_1 C34_1 C40_1 C42_1 -138(3) . . . . ? C33_1 C34_1 C40_1 C41_1 -134(4) . . . . ? C35_1 C34_1 C40_1 C41_1 44(5) . . . . ? C31_1 C36_1 C43_1 C44_1 -88(3) . . . . ? C35_1 C36_1 C43_1 C44_1 91(3) . . . . ? C31_1 C36_1 C43_1 C45_1 146(3) . . . . ? C35_1 C36_1 C43_1 C45_1 -34(3) . . . . ? O21_1 Sn9_1 C46_1 C51_1 -44(2) . . . . ? O16_1 Sn9_1 C46_1 C51_1 121.9(19) . . . . ? O15_1 Sn9_1 C46_1 C51_1 -144.3(18) . . . . ? O30_1 Sn9_1 C46_1 C51_1 37(2) . . . . ? O9_1 Sn9_1 C46_1 C51_1 124(6) . . . . ? O21_1 Sn9_1 C46_1 C47_1 154.7(17) . . . . ? O16_1 Sn9_1 C46_1 C47_1 -39(2) . . . . ? O15_1 Sn9_1 C46_1 C47_1 55(2) . . . . ? O30_1 Sn9_1 C46_1 C47_1 -124.3(19) . . . . ? O9_1 Sn9_1 C46_1 C47_1 -37(7) . . . . ? C51_1 C46_1 C47_1 C48_1 -4(4) . . . . ? Sn9_1 C46_1 C47_1 C48_1 157(2) . . . . ? C51_1 C46_1 C47_1 C52_1 169(2) . . . . ? Sn9_1 C46_1 C47_1 C52_1 -29(3) . . . . ? C46_1 C47_1 C48_1 C49_1 -2(4) . . . . ? C52_1 C47_1 C48_1 C49_1 -175(2) . . . . ? C47_1 C48_1 C49_1 C50_1 7(4) . . . . ? C47_1 C48_1 C49_1 C55_1 -174(2) . . . . ? C48_1 C49_1 C50_1 C51_1 -7(4) . . . . ? C55_1 C49_1 C50_1 C51_1 175(2) . . . . ? C47_1 C46_1 C51_1 C50_1 4(4) . . . . ? Sn9_1 C46_1 C51_1 C50_1 -156.6(19) . . . . ? C47_1 C46_1 C51_1 C58_1 -169(2) . . . . ? Sn9_1 C46_1 C51_1 C58_1 30(3) . . . . ? C49_1 C50_1 C51_1 C46_1 1(4) . . . . ? C49_1 C50_1 C51_1 C58_1 175(2) . . . . ? C48_1 C47_1 C52_1 C53_1 -51(3) . . . . ? C46_1 C47_1 C52_1 C53_1 136(3) . . . . ? C48_1 C47_1 C52_1 C54_1 79(3) . . . . ? C46_1 C47_1 C52_1 C54_1 -94(3) . . . . ? C50_1 C49_1 C55_1 C56_1 115(3) . . . . ? C48_1 C49_1 C55_1 C56_1 -63(4) . . . . ? C50_1 C49_1 C55_1 C57_1 -123(3) . . . . ? C48_1 C49_1 C55_1 C57_1 58(4) . . . . ? C46_1 C51_1 C58_1 C59_1 99(3) . . . . ? C50_1 C51_1 C58_1 C59_1 -74(3) . . . . ? C46_1 C51_1 C58_1 C60_1 -136(2) . . . . ? C50_1 C51_1 C58_1 C60_1 51(3) . . . . ? O18_1 Sn10_1 C61_1 C66_1 -39(2) . . . . ? O27_1 Sn10_1 C61_1 C66_1 -129(2) . . . . ? O21_1 Sn10_1 C61_1 C66_1 51(2) . . . . ? O9_1 Sn10_1 C61_1 C66_1 139(9) . . . . ? O10_1 Sn10_1 C61_1 C66_1 138(2) . . . . ? O18_1 Sn10_1 C61_1 C62_1 137(2) . . . . ? O27_1 Sn10_1 C61_1 C62_1 47(2) . . . . ? O21_1 Sn10_1 C61_1 C62_1 -133(2) . . . . ? O9_1 Sn10_1 C61_1 C62_1 -45(11) . . . . ? O10_1 Sn10_1 C61_1 C62_1 -46(2) . . . . ? C66_1 C61_1 C62_1 C63_1 6(4) . . . . ? Sn10_1 C61_1 C62_1 C63_1 -170(2) . . . . ? C66_1 C61_1 C62_1 C67_1 -174(2) . . . . ? Sn10_1 C61_1 C62_1 C67_1 10(4) . . . . ? C61_1 C62_1 C63_1 C64_1 -3(4) . . . . ? C67_1 C62_1 C63_1 C64_1 178(3) . . . . ? C62_1 C63_1 C64_1 C65_1 -4(4) . . . . ? C62_1 C63_1 C64_1 C70_1 169(3) . . . . ? C63_1 C64_1 C65_1 C66_1 7(5) . . . . ? C70_1 C64_1 C65_1 C66_1 -165(3) . . . . ? C62_1 C61_1 C66_1 C65_1 -3(4) . . . . ? Sn10_1 C61_1 C66_1 C65_1 173(2) . . . . ? C62_1 C61_1 C66_1 C73_1 179(2) . . . . ? Sn10_1 C61_1 C66_1 C73_1 -5(4) . . . . ? C64_1 C65_1 C66_1 C61_1 -4(5) . . . . ? C64_1 C65_1 C66_1 C73_1 174(3) . . . . ? C63_1 C62_1 C67_1 C68_1 -79(3) . . . . ? C61_1 C62_1 C67_1 C68_1 101(3) . . . . ? C63_1 C62_1 C67_1 C69_1 47(3) . . . . ? C61_1 C62_1 C67_1 C69_1 -133(3) . . . . ? C65_1 C64_1 C70_1 C72_1 -128(4) . . . . ? C63_1 C64_1 C70_1 C72_1 61(4) . . . . ? C65_1 C64_1 C70_1 C71_1 88(4) . . . . ? C63_1 C64_1 C70_1 C71_1 -83(4) . . . . ? C61_1 C66_1 C73_1 C75_1 109(3) . . . . ? C65_1 C66_1 C73_1 C75_1 -68(3) . . . . ? C61_1 C66_1 C73_1 C74_1 -119(3) . . . . ? C65_1 C66_1 C73_1 C74_1 63(3) . . . . ? O17_1 Sn6_1 C76_1 C77_1 8(2) . . . . ? O11_1 Sn6_1 C76_1 C77_1 176.0(17) . . . . ? O24_1 Sn6_1 C76_1 C77_1 -112(2) . . . . ? O14_1 Sn6_1 C76_1 C77_1 98(2) . . . . ? Sn1_1 Sn6_1 C76_1 C77_1 125.7(18) . . . . ? O17_1 Sn6_1 C76_1 C81_1 -178.7(17) . . . . ? O11_1 Sn6_1 C76_1 C81_1 -10(3) . . . . ? O24_1 Sn6_1 C76_1 C81_1 61(2) . . . . ? O14_1 Sn6_1 C76_1 C81_1 -88(2) . . . . ? Sn1_1 Sn6_1 C76_1 C81_1 -61(2) . . . . ? C81_1 C76_1 C77_1 C78_1 3(4) . . . . ? Sn6_1 C76_1 C77_1 C78_1 176(2) . . . . ? C81_1 C76_1 C77_1 C82_1 -179(3) . . . . ? Sn6_1 C76_1 C77_1 C82_1 -5(4) . . . . ? C76_1 C77_1 C78_1 C79_1 -5(5) . . . . ? C82_1 C77_1 C78_1 C79_1 176(3) . . . . ? C77_1 C78_1 C79_1 C80_1 0(5) . . . . ? C77_1 C78_1 C79_1 C85_1 173(3) . . . . ? C78_1 C79_1 C80_1 C81_1 7(6) . . . . ? C85_1 C79_1 C80_1 C81_1 -165(3) . . . . ? C77_1 C76_1 C81_1 C80_1 4(4) . . . . ? Sn6_1 C76_1 C81_1 C80_1 -170(2) . . . . ? C77_1 C76_1 C81_1 C88_1 -174(2) . . . . ? Sn6_1 C76_1 C81_1 C88_1 12(3) . . . . ? C79_1 C80_1 C81_1 C76_1 -9(5) . . . . ? C79_1 C80_1 C81_1 C88_1 169(3) . . . . ? C76_1 C77_1 C82_1 C84_1 126(3) . . . . ? C78_1 C77_1 C82_1 C84_1 -56(4) . . . . ? C76_1 C77_1 C82_1 C83_1 -83(3) . . . . ? C78_1 C77_1 C82_1 C83_1 96(3) . . . . ? C80_1 C79_1 C85_1 C86_1 25(5) . . . . ? C78_1 C79_1 C85_1 C86_1 -147(3) . . . . ? C80_1 C79_1 C85_1 C87_1 -85(4) . . . . ? C78_1 C79_1 C85_1 C87_1 103(3) . . . . ? C76_1 C81_1 C88_1 C90_1 89(3) . . . . ? C80_1 C81_1 C88_1 C90_1 -89(3) . . . . ? C76_1 C81_1 C88_1 C89_1 -150(3) . . . . ? C80_1 C81_1 C88_1 C89_1 32(4) . . . . ? O23_1 Sn8_1 C91_1 C92_1 157(5) . . . . ? O82_3 Sn8_1 C91_1 C92_1 126.7(18) . . . . ? O29_1 Sn8_1 C91_1 C92_1 -135.4(19) . . . . ? O26_1 Sn8_1 C91_1 C92_1 -49(2) . . . . ? O8_1 Sn8_1 C91_1 C92_1 44.1(19) . . . . ? Sn1_1 Sn8_1 C91_1 C92_1 122.3(17) . . . . ? O23_1 Sn8_1 C91_1 C96_1 -18(7) . . . . ? O82_3 Sn8_1 C91_1 C96_1 -49.0(18) . . . . ? O29_1 Sn8_1 C91_1 C96_1 48.9(18) . . . . ? O26_1 Sn8_1 C91_1 C96_1 135.3(17) . . . . ? O8_1 Sn8_1 C91_1 C96_1 -131.7(17) . . . . ? Sn1_1 Sn8_1 C91_1 C96_1 -53(2) . . . . ? C96_1 C91_1 C92_1 C93_1 -5(3) . . . . ? Sn8_1 C91_1 C92_1 C93_1 178.9(16) . . . . ? C96_1 C91_1 C92_1 C97_1 180(2) . . . . ? Sn8_1 C91_1 C92_1 C97_1 4(3) . . . . ? C91_1 C92_1 C93_1 C94_1 3(3) . . . . ? C97_1 C92_1 C93_1 C94_1 178(2) . . . . ? C92_1 C93_1 C94_1 C95_1 -1(4) . . . . ? C92_1 C93_1 C94_1 C100_1 180(2) . . . . ? C93_1 C94_1 C95_1 C96_1 1(4) . . . . ? C100_1 C94_1 C95_1 C96_1 -179(2) . . . . ? C94_1 C95_1 C96_1 C91_1 -4(4) . . . . ? C94_1 C95_1 C96_1 C103_1 180(2) . . . . ? C92_1 C91_1 C96_1 C95_1 6(3) . . . . ? Sn8_1 C91_1 C96_1 C95_1 -178.6(18) . . . . ? C92_1 C91_1 C96_1 C103_1 -178(2) . . . . ? Sn8_1 C91_1 C96_1 C103_1 -2(3) . . . . ? C91_1 C92_1 C97_1 C99_1 119(3) . . . . ? C93_1 C92_1 C97_1 C99_1 -56(3) . . . . ? C91_1 C92_1 C97_1 C98_1 -116(3) . . . . ? C93_1 C92_1 C97_1 C98_1 69(3) . . . . ? C95_1 C94_1 C100_1 C102_1 -174(3) . . . . ? C93_1 C94_1 C100_1 C102_1 5(4) . . . . ? C95_1 C94_1 C100_1 C101_1 65(4) . . . . ? C93_1 C94_1 C100_1 C101_1 -115(3) . . . . ? C95_1 C96_1 C103_1 C104_1 62(3) . . . . ? C91_1 C96_1 C103_1 C104_1 -115(3) . . . . ? C95_1 C96_1 C103_1 C105_1 -62(3) . . . . ? C91_1 C96_1 C103_1 C105_1 122(3) . . . . ? O19_1 S1_1 C106_1 C107_1 -70(2) . . . . ? O6_1 S1_1 C106_1 C107_1 165(2) . . . . ? O29_1 S1_1 C106_1 C107_1 46(2) . . . . ? O19_1 S1_1 C106_1 C111_1 110(2) . . . . ? O6_1 S1_1 C106_1 C111_1 -14(3) . . . . ? O29_1 S1_1 C106_1 C111_1 -133(2) . . . . ? C111_1 C106_1 C107_1 C108_1 -2(4) . . . . ? S1_1 C106_1 C107_1 C108_1 179(2) . . . . ? C106_1 C107_1 C108_1 C109_1 0(4) . . . . ? C107_1 C108_1 C109_1 C110_1 0(4) . . . . ? C107_1 C108_1 C109_1 C112_1 -176(3) . . . . ? C108_1 C109_1 C110_1 C111_1 1(5) . . . . ? C112_1 C109_1 C110_1 C111_1 178(3) . . . . ? C107_1 C106_1 C111_1 C110_1 3(4) . . . . ? S1_1 C106_1 C111_1 C110_1 -177(2) . . . . ? C109_1 C110_1 C111_1 C106_1 -3(5) . . . . ? O5_1 S2_1 C113_1 C114_1 114(2) . . . . ? O1_1 S2_1 C113_1 C114_1 -11(3) . . . . ? O3_1 S2_1 C113_1 C114_1 -127(2) . . . . ? O5_1 S2_1 C113_1 C118_1 -70(2) . . . . ? O1_1 S2_1 C113_1 C118_1 164.6(19) . . . . ? O3_1 S2_1 C113_1 C118_1 49(2) . . . . ? C118_1 C113_1 C114_1 C115_1 7(4) . . . . ? S2_1 C113_1 C114_1 C115_1 -178(2) . . . . ? C113_1 C114_1 C115_1 C116_1 -7(4) . . . . ? C114_1 C115_1 C116_1 C117_1 5(4) . . . . ? C114_1 C115_1 C116_1 C119_1 -179(3) . . . . ? C115_1 C116_1 C117_1 C118_1 -4(4) . . . . ? C119_1 C116_1 C117_1 C118_1 180(2) . . . . ? C116_1 C117_1 C118_1 C113_1 4(4) . . . . ? C114_1 C113_1 C118_1 C117_1 -6(4) . . . . ? S2_1 C113_1 C118_1 C117_1 178(2) . . . . ? O43_2 Sn13_2 Sn16_2 O39_2 -109.5(8) . . . . ? O57_2 Sn13_2 Sn16_2 O39_2 -107.8(8) . . . . ? O60_2 Sn13_2 Sn16_2 O39_2 95.6(8) . . . . ? O35_2 Sn13_2 Sn16_2 O39_2 56.1(7) . . . . ? O38_2 Sn13_2 Sn16_2 O39_2 142.6(6) . . . . ? O54_2 Sn13_2 Sn16_2 O39_2 -12.6(6) . . . . ? Sn18_2 Sn13_2 Sn16_2 O39_2 12.2(4) . . . . ? O43_2 Sn13_2 Sn16_2 O57_2 -1.7(9) . . . . ? O60_2 Sn13_2 Sn16_2 O57_2 -156.6(10) . . . . ? O35_2 Sn13_2 Sn16_2 O57_2 163.9(9) . . . . ? O38_2 Sn13_2 Sn16_2 O57_2 -109.5(8) . . . . ? O54_2 Sn13_2 Sn16_2 O57_2 95.2(8) . . . . ? Sn18_2 Sn13_2 Sn16_2 O57_2 120.0(7) . . . . ? O43_2 Sn13_2 Sn16_2 O60_2 154.9(10) . . . . ? O57_2 Sn13_2 Sn16_2 O60_2 156.6(10) . . . . ? O35_2 Sn13_2 Sn16_2 O60_2 -39.5(9) . . . . ? O38_2 Sn13_2 Sn16_2 O60_2 47.0(9) . . . . ? O54_2 Sn13_2 Sn16_2 O60_2 -108.2(8) . . . . ? Sn18_2 Sn13_2 Sn16_2 O60_2 -83.4(7) . . . . ? O43_2 Sn13_2 Sn16_2 O40_2 -8.5(8) . . . . ? O57_2 Sn13_2 Sn16_2 O40_2 -6.8(8) . . . . ? O60_2 Sn13_2 Sn16_2 O40_2 -163.4(9) . . . . ? O35_2 Sn13_2 Sn16_2 O40_2 157.1(7) . . . . ? O38_2 Sn13_2 Sn16_2 O40_2 -116.3(7) . . . . ? O54_2 Sn13_2 Sn16_2 O40_2 88.4(6) . . . . ? Sn18_2 Sn13_2 Sn16_2 O40_2 113.2(5) . . . . ? O43_2 Sn13_2 Sn16_2 C135_2 113.1(10) . . . . ? O57_2 Sn13_2 Sn16_2 C135_2 114.8(11) . . . . ? O60_2 Sn13_2 Sn16_2 C135_2 -41.7(11) . . . . ? O35_2 Sn13_2 Sn16_2 C135_2 -81.2(10) . . . . ? O38_2 Sn13_2 Sn16_2 C135_2 5.3(10) . . . . ? O54_2 Sn13_2 Sn16_2 C135_2 -150.0(9) . . . . ? Sn18_2 Sn13_2 Sn16_2 C135_2 -125.1(8) . . . . ? O43_2 Sn13_2 Sn18_2 O58_2 -80.1(7) . . . . ? O57_2 Sn13_2 Sn18_2 O58_2 -178.4(7) . . . . ? O60_2 Sn13_2 Sn18_2 O58_2 99.6(7) . . . . ? O35_2 Sn13_2 Sn18_2 O58_2 20.9(9) . . . . ? O38_2 Sn13_2 Sn18_2 O58_2 8.7(7) . . . . ? O54_2 Sn13_2 Sn18_2 O58_2 -178.7(8) . . . . ? Sn16_2 Sn13_2 Sn18_2 O58_2 139.5(5) . . . . ? O43_2 Sn13_2 Sn18_2 O42_2 76.4(7) . . . . ? O57_2 Sn13_2 Sn18_2 O42_2 -22.0(8) . . . . ? O60_2 Sn13_2 Sn18_2 O42_2 -103.9(7) . . . . ? O35_2 Sn13_2 Sn18_2 O42_2 177.4(9) . . . . ? O38_2 Sn13_2 Sn18_2 O42_2 165.1(7) . . . . ? O54_2 Sn13_2 Sn18_2 O42_2 -22.3(8) . . . . ? Sn16_2 Sn13_2 Sn18_2 O42_2 -64.1(6) . . . . ? O43_2 Sn13_2 Sn18_2 O56_2 179.8(6) . . . . ? O57_2 Sn13_2 Sn18_2 O56_2 81.4(7) . . . . ? O60_2 Sn13_2 Sn18_2 O56_2 -0.5(6) . . . . ? O35_2 Sn13_2 Sn18_2 O56_2 -79.2(8) . . . . ? O38_2 Sn13_2 Sn18_2 O56_2 -91.5(6) . . . . ? O54_2 Sn13_2 Sn18_2 O56_2 81.1(7) . . . . ? Sn16_2 Sn13_2 Sn18_2 O56_2 39.3(4) . . . . ? O43_2 Sn13_2 Sn18_2 O54_2 98.7(7) . . . . ? O57_2 Sn13_2 Sn18_2 O54_2 0.3(8) . . . . ? O60_2 Sn13_2 Sn18_2 O54_2 -81.6(8) . . . . ? O35_2 Sn13_2 Sn18_2 O54_2 -160.3(9) . . . . ? O38_2 Sn13_2 Sn18_2 O54_2 -172.6(8) . . . . ? Sn16_2 Sn13_2 Sn18_2 O54_2 -41.8(6) . . . . ? O43_2 Sn13_2 Sn18_2 O35_2 -101.0(8) . . . . ? O57_2 Sn13_2 Sn18_2 O35_2 160.7(9) . . . . ? O60_2 Sn13_2 Sn18_2 O35_2 78.7(8) . . . . ? O38_2 Sn13_2 Sn18_2 O35_2 -12.2(8) . . . . ? O54_2 Sn13_2 Sn18_2 O35_2 160.3(9) . . . . ? Sn16_2 Sn13_2 Sn18_2 O35_2 118.6(7) . . . . ? O43_2 Sn13_2 Sn18_2 O59_2 -3.7(7) . . . . ? O57_2 Sn13_2 Sn18_2 O59_2 -102.1(7) . . . . ? O60_2 Sn13_2 Sn18_2 O59_2 176.0(7) . . . . ? O35_2 Sn13_2 Sn18_2 O59_2 97.3(8) . . . . ? O38_2 Sn13_2 Sn18_2 O59_2 85.0(7) . . . . ? O54_2 Sn13_2 Sn18_2 O59_2 -102.4(8) . . . . ? Sn16_2 Sn13_2 Sn18_2 O59_2 -144.1(5) . . . . ? O50_2 S3_2 O34_2 Sn20_2 -82.4(17) . . . . ? O31_2 S3_2 O34_2 Sn20_2 49.5(18) . . . . ? C225_2 S3_2 O34_2 Sn20_2 163.9(14) . . . . ? O43_2 Sn20_2 O34_2 S3_2 67.0(14) . . . . ? O52_2 Sn20_2 O34_2 S3_2 -39.4(14) . . . . ? O45_2 Sn20_2 O34_2 S3_2 -28(3) . . . . ? C150_2 Sn20_2 O34_2 S3_2 -161.9(16) . . . . ? O43_2 Sn13_2 O35_2 Sn19_2 -75.7(7) . . . . ? O57_2 Sn13_2 O35_2 Sn19_2 146.6(15) . . . . ? O60_2 Sn13_2 O35_2 Sn19_2 91.8(7) . . . . ? O38_2 Sn13_2 O35_2 Sn19_2 8.7(6) . . . . ? O54_2 Sn13_2 O35_2 Sn19_2 -172.1(8) . . . . ? Sn18_2 Sn13_2 O35_2 Sn19_2 -159.5(11) . . . . ? Sn16_2 Sn13_2 O35_2 Sn19_2 115.1(5) . . . . ? O43_2 Sn13_2 O35_2 Sn18_2 83.8(7) . . . . ? O57_2 Sn13_2 O35_2 Sn18_2 -54(2) . . . . ? O60_2 Sn13_2 O35_2 Sn18_2 -108.7(7) . . . . ? O38_2 Sn13_2 O35_2 Sn18_2 168.2(8) . . . . ? O54_2 Sn13_2 O35_2 Sn18_2 -12.6(6) . . . . ? Sn16_2 Sn13_2 O35_2 Sn18_2 -85.4(6) . . . . ? O55_2 Sn19_2 O35_2 Sn13_2 165.4(9) . . . . ? O38_2 Sn19_2 O35_2 Sn13_2 -8.7(6) . . . . ? C210_2 Sn19_2 O35_2 Sn13_2 -11(8) . . . . ? O44_2 Sn19_2 O35_2 Sn13_2 -105.7(7) . . . . ? O53_2 Sn19_2 O35_2 Sn13_2 75.8(8) . . . . ? O55_2 Sn19_2 O35_2 Sn18_2 21.6(18) . . . . ? O38_2 Sn19_2 O35_2 Sn18_2 -152.5(15) . . . . ? C210_2 Sn19_2 O35_2 Sn18_2 -154(7) . . . . ? O44_2 Sn19_2 O35_2 Sn18_2 110.5(15) . . . . ? O53_2 Sn19_2 O35_2 Sn18_2 -68.0(14) . . . . ? O58_2 Sn18_2 O35_2 Sn13_2 -163.5(7) . . . . ? O42_2 Sn18_2 O35_2 Sn13_2 -10(3) . . . . ? O56_2 Sn18_2 O35_2 Sn13_2 107.9(7) . . . . ? O54_2 Sn18_2 O35_2 Sn13_2 12.8(6) . . . . ? O59_2 Sn18_2 O35_2 Sn13_2 -79.6(7) . . . . ? O58_2 Sn18_2 O35_2 Sn19_2 -19.0(14) . . . . ? O42_2 Sn18_2 O35_2 Sn19_2 134(3) . . . . ? O56_2 Sn18_2 O35_2 Sn19_2 -107.5(14) . . . . ? O54_2 Sn18_2 O35_2 Sn19_2 157.4(15) . . . . ? O59_2 Sn18_2 O35_2 Sn19_2 65.0(14) . . . . ? Sn13_2 Sn18_2 O35_2 Sn19_2 144.6(18) . . . . ? O39_2 Sn11_2 O36_2 Sn12_2 84(4) . . . . ? O41_2 Sn11_2 O36_2 Sn12_2 172.4(7) . . . . ? O37_2 Sn11_2 O36_2 Sn12_2 6.6(6) . . . . ? O54_2 Sn11_2 O36_2 Sn12_2 -86.7(7) . . . . ? O47_2 Sn11_2 O36_2 Sn12_2 85.5(7) . . . . ? O51_2 Sn12_2 O36_2 Sn11_2 9.4(13) . . . . ? O49_2 Sn12_2 O36_2 Sn11_2 -81.2(7) . . . . ? C120_2 Sn12_2 O36_2 Sn11_2 174.3(8) . . . . ? O37_2 Sn12_2 O36_2 Sn11_2 -6.4(6) . . . . ? O42_2 Sn12_2 O36_2 Sn11_2 83.5(7) . . . . ? O39_2 Sn11_2 O37_2 Sn17_2 39.9(13) . . . . ? O41_2 Sn11_2 O37_2 Sn17_2 161.8(14) . . . . ? O36_2 Sn11_2 O37_2 Sn17_2 -148.3(13) . . . . ? O54_2 Sn11_2 O37_2 Sn17_2 -57.6(13) . . . . ? O47_2 Sn11_2 O37_2 Sn17_2 126.6(13) . . . . ? O39_2 Sn11_2 O37_2 Sn12_2 -178.1(6) . . . . ? O41_2 Sn11_2 O37_2 Sn12_2 -56(2) . . . . ? O36_2 Sn11_2 O37_2 Sn12_2 -6.4(6) . . . . ? O54_2 Sn11_2 O37_2 Sn12_2 84.3(6) . . . . ? O47_2 Sn11_2 O37_2 Sn12_2 -91.4(7) . . . . ? O39_2 Sn11_2 O37_2 Sn14_2 -75.2(7) . . . . ? O41_2 Sn11_2 O37_2 Sn14_2 47(2) . . . . ? O36_2 Sn11_2 O37_2 Sn14_2 96.5(6) . . . . ? O54_2 Sn11_2 O37_2 Sn14_2 -172.8(5) . . . . ? O47_2 Sn11_2 O37_2 Sn14_2 11.4(5) . . . . ? O61_2 Sn17_2 O37_2 Sn11_2 -36.7(12) . . . . ? O51_2 Sn17_2 O37_2 Sn11_2 148.7(14) . . . . ? O46_2 Sn17_2 O37_2 Sn11_2 -124.0(13) . . . . ? O56_2 Sn17_2 O37_2 Sn11_2 53.6(12) . . . . ? C195_2 Sn17_2 O37_2 Sn11_2 110(9) . . . . ? O61_2 Sn17_2 O37_2 Sn12_2 -178.5(7) . . . . ? O51_2 Sn17_2 O37_2 Sn12_2 6.9(6) . . . . ? O46_2 Sn17_2 O37_2 Sn12_2 94.3(7) . . . . ? O56_2 Sn17_2 O37_2 Sn12_2 -88.1(7) . . . . ? C195_2 Sn17_2 O37_2 Sn12_2 -32(10) . . . . ? O61_2 Sn17_2 O37_2 Sn14_2 78.6(6) . . . . ? O51_2 Sn17_2 O37_2 Sn14_2 -96.0(6) . . . . ? O46_2 Sn17_2 O37_2 Sn14_2 -8.6(6) . . . . ? O56_2 Sn17_2 O37_2 Sn14_2 169.0(7) . . . . ? C195_2 Sn17_2 O37_2 Sn14_2 -135(9) . . . . ? O36_2 Sn12_2 O37_2 Sn11_2 6.3(6) . . . . ? O51_2 Sn12_2 O37_2 Sn11_2 -163.8(8) . . . . ? O49_2 Sn12_2 O37_2 Sn11_2 103.1(7) . . . . ? C120_2 Sn12_2 O37_2 Sn11_2 16(11) . . . . ? O42_2 Sn12_2 O37_2 Sn11_2 -75.9(6) . . . . ? O36_2 Sn12_2 O37_2 Sn17_2 163.3(8) . . . . ? O51_2 Sn12_2 O37_2 Sn17_2 -6.9(6) . . . . ? O49_2 Sn12_2 O37_2 Sn17_2 -100.0(7) . . . . ? C120_2 Sn12_2 O37_2 Sn17_2 173(10) . . . . ? O42_2 Sn12_2 O37_2 Sn17_2 81.1(6) . . . . ? O36_2 Sn12_2 O37_2 Sn14_2 -95.4(6) . . . . ? O51_2 Sn12_2 O37_2 Sn14_2 94.5(6) . . . . ? O49_2 Sn12_2 O37_2 Sn14_2 1.4(5) . . . . ? C120_2 Sn12_2 O37_2 Sn14_2 -85(11) . . . . ? O42_2 Sn12_2 O37_2 Sn14_2 -177.6(6) . . . . ? O46_2 Sn14_2 O37_2 Sn11_2 155.1(7) . . . . ? O47_2 Sn14_2 O37_2 Sn11_2 -12.1(6) . . . . ? O49_2 Sn14_2 O37_2 Sn11_2 -108.0(7) . . . . ? O48_2 Sn14_2 O37_2 Sn11_2 72.7(6) . . . . ? C165_2 Sn14_2 O37_2 Sn11_2 -22(7) . . . . ? O46_2 Sn14_2 O37_2 Sn17_2 9.1(6) . . . . ? O47_2 Sn14_2 O37_2 Sn17_2 -158.1(7) . . . . ? O49_2 Sn14_2 O37_2 Sn17_2 106.0(7) . . . . ? O48_2 Sn14_2 O37_2 Sn17_2 -73.3(6) . . . . ? C165_2 Sn14_2 O37_2 Sn17_2 -168(7) . . . . ? O46_2 Sn14_2 O37_2 Sn12_2 -98.4(7) . . . . ? O47_2 Sn14_2 O37_2 Sn12_2 94.4(6) . . . . ? O49_2 Sn14_2 O37_2 Sn12_2 -1.5(6) . . . . ? O48_2 Sn14_2 O37_2 Sn12_2 179.2(6) . . . . ? C165_2 Sn14_2 O37_2 Sn12_2 84(7) . . . . ? O55_2 Sn19_2 O38_2 Sn13_2 -119(6) . . . . ? O35_2 Sn19_2 O38_2 Sn13_2 8.4(6) . . . . ? C210_2 Sn19_2 O38_2 Sn13_2 -171.8(8) . . . . ? O44_2 Sn19_2 O38_2 Sn13_2 91.1(7) . . . . ? O53_2 Sn19_2 O38_2 Sn13_2 -75.5(7) . . . . ? O43_2 Sn13_2 O38_2 Sn19_2 92.5(7) . . . . ? O57_2 Sn13_2 O38_2 Sn19_2 -174.1(6) . . . . ? O60_2 Sn13_2 O38_2 Sn19_2 -105.8(7) . . . . ? O35_2 Sn13_2 O38_2 Sn19_2 -8.5(6) . . . . ? O54_2 Sn13_2 O38_2 Sn19_2 -9.9(15) . . . . ? Sn18_2 Sn13_2 O38_2 Sn19_2 -0.5(7) . . . . ? Sn16_2 Sn13_2 O38_2 Sn19_2 -132.9(5) . . . . ? O41_2 Sn11_2 O39_2 Sn16_2 48.6(10) . . . . ? O36_2 Sn11_2 O39_2 Sn16_2 137(4) . . . . ? O37_2 Sn11_2 O39_2 Sn16_2 -147.1(9) . . . . ? O54_2 Sn11_2 O39_2 Sn16_2 -51.9(10) . . . . ? O47_2 Sn11_2 O39_2 Sn16_2 135.9(10) . . . . ? O57_2 Sn16_2 O39_2 Sn11_2 7.2(11) . . . . ? O60_2 Sn16_2 O39_2 Sn11_2 79.0(10) . . . . ? O40_2 Sn16_2 O39_2 Sn11_2 -65.2(11) . . . . ? C135_2 Sn16_2 O39_2 Sn11_2 -177.5(10) . . . . ? Sn13_2 Sn16_2 O39_2 Sn11_2 42.0(9) . . . . ? O39_2 Sn16_2 O40_2 Sn15_2 75.7(7) . . . . ? O57_2 Sn16_2 O40_2 Sn15_2 -18.1(6) . . . . ? O60_2 Sn16_2 O40_2 Sn15_2 -30.3(13) . . . . ? C135_2 Sn16_2 O40_2 Sn15_2 -153.2(8) . . . . ? Sn13_2 Sn16_2 O40_2 Sn15_2 -13.8(7) . . . . ? O57_2 Sn15_2 O40_2 Sn16_2 18.2(6) . . . . ? O45_2 Sn15_2 O40_2 Sn16_2 -14(2) . . . . ? C180_2 Sn15_2 O40_2 Sn16_2 -177.7(7) . . . . ? O41_2 Sn15_2 O40_2 Sn16_2 -70.5(7) . . . . ? O52_2 Sn15_2 O40_2 Sn16_2 85.0(8) . . . . ? O39_2 Sn11_2 O41_2 Sn15_2 -66.3(10) . . . . ? O36_2 Sn11_2 O41_2 Sn15_2 121.9(10) . . . . ? O37_2 Sn11_2 O41_2 Sn15_2 169.6(13) . . . . ? O54_2 Sn11_2 O41_2 Sn15_2 29.8(11) . . . . ? O47_2 Sn11_2 O41_2 Sn15_2 -156.1(10) . . . . ? O57_2 Sn15_2 O41_2 Sn11_2 13.2(10) . . . . ? O45_2 Sn15_2 O41_2 Sn11_2 -78.7(10) . . . . ? O40_2 Sn15_2 O41_2 Sn11_2 84.4(10) . . . . ? C180_2 Sn15_2 O41_2 Sn11_2 -178.3(10) . . . . ? O52_2 Sn15_2 O41_2 Sn11_2 -47.6(16) . . . . ? O58_2 Sn18_2 O42_2 Sn12_2 -132.1(9) . . . . ? O56_2 Sn18_2 O42_2 Sn12_2 -43.7(10) . . . . ? O54_2 Sn18_2 O42_2 Sn12_2 52.5(10) . . . . ? O35_2 Sn18_2 O42_2 Sn12_2 75(3) . . . . ? O59_2 Sn18_2 O42_2 Sn12_2 144.4(10) . . . . ? Sn13_2 Sn18_2 O42_2 Sn12_2 66.6(11) . . . . ? O36_2 Sn12_2 O42_2 Sn18_2 -73.4(10) . . . . ? O51_2 Sn12_2 O42_2 Sn18_2 71.7(10) . . . . ? O49_2 Sn12_2 O42_2 Sn18_2 -4(3) . . . . ? C120_2 Sn12_2 O42_2 Sn18_2 -176.0(11) . . . . ? O37_2 Sn12_2 O42_2 Sn18_2 -0.4(10) . . . . ? O52_2 Sn20_2 O43_2 Sn13_2 -20.1(12) . . . . ? O45_2 Sn20_2 O43_2 Sn13_2 51.2(11) . . . . ? C150_2 Sn20_2 O43_2 Sn13_2 166.0(12) . . . . ? O34_2 Sn20_2 O43_2 Sn13_2 -105.9(11) . . . . ? O57_2 Sn13_2 O43_2 Sn20_2 0.0(11) . . . . ? O60_2 Sn13_2 O43_2 Sn20_2 52(2) . . . . ? O35_2 Sn13_2 O43_2 Sn20_2 -167.5(10) . . . . ? O38_2 Sn13_2 O43_2 Sn20_2 119.4(11) . . . . ? O54_2 Sn13_2 O43_2 Sn20_2 -89.9(11) . . . . ? Sn18_2 Sn13_2 O43_2 Sn20_2 -128.8(10) . . . . ? Sn16_2 Sn13_2 O43_2 Sn20_2 1.0(14) . . . . ? O32_2 S4_2 O44_2 Sn19_2 78.3(16) . . . . ? O33_2 S4_2 O44_2 Sn19_2 -50.3(17) . . . . ? C232_2 S4_2 O44_2 Sn19_2 -165.0(14) . . . . ? O55_2 Sn19_2 O44_2 S4_2 90.4(15) . . . . ? O35_2 Sn19_2 O44_2 S4_2 -19.8(14) . . . . ? O38_2 Sn19_2 O44_2 S4_2 -93.1(15) . . . . ? C210_2 Sn19_2 O44_2 S4_2 166.0(15) . . . . ? O53_2 Sn19_2 O44_2 S4_2 -13(4) . . . . ? O57_2 Sn15_2 O45_2 Sn20_2 59.3(7) . . . . ? O40_2 Sn15_2 O45_2 Sn20_2 89.9(18) . . . . ? C180_2 Sn15_2 O45_2 Sn20_2 -106.8(8) . . . . ? O41_2 Sn15_2 O45_2 Sn20_2 145.6(7) . . . . ? O52_2 Sn15_2 O45_2 Sn20_2 -18.2(6) . . . . ? O43_2 Sn20_2 O45_2 Sn15_2 -87.2(7) . . . . ? O52_2 Sn20_2 O45_2 Sn15_2 19.2(6) . . . . ? C150_2 Sn20_2 O45_2 Sn15_2 138.4(9) . . . . ? O34_2 Sn20_2 O45_2 Sn15_2 7.4(18) . . . . ? O47_2 Sn14_2 O46_2 Sn17_2 9.6(13) . . . . ? O49_2 Sn14_2 O46_2 Sn17_2 -79.7(8) . . . . ? O48_2 Sn14_2 O46_2 Sn17_2 76.7(8) . . . . ? C165_2 Sn14_2 O46_2 Sn17_2 169.8(9) . . . . ? O37_2 Sn14_2 O46_2 Sn17_2 -9.8(6) . . . . ? O61_2 Sn17_2 O46_2 Sn14_2 -73.9(7) . . . . ? O51_2 Sn17_2 O46_2 Sn14_2 84.4(7) . . . . ? O56_2 Sn17_2 O46_2 Sn14_2 4.7(19) . . . . ? C195_2 Sn17_2 O46_2 Sn14_2 -173.1(8) . . . . ? O37_2 Sn17_2 O46_2 Sn14_2 10.8(7) . . . . ? O46_2 Sn14_2 O47_2 Sn11_2 -7.0(13) . . . . ? O49_2 Sn14_2 O47_2 Sn11_2 82.8(7) . . . . ? O48_2 Sn14_2 O47_2 Sn11_2 -73.3(7) . . . . ? C165_2 Sn14_2 O47_2 Sn11_2 -168.6(9) . . . . ? O37_2 Sn14_2 O47_2 Sn11_2 12.6(6) . . . . ? O39_2 Sn11_2 O47_2 Sn14_2 89.1(7) . . . . ? O41_2 Sn11_2 O47_2 Sn14_2 176.4(8) . . . . ? O36_2 Sn11_2 O47_2 Sn14_2 -90.7(7) . . . . ? O37_2 Sn11_2 O47_2 Sn14_2 -14.3(7) . . . . ? O54_2 Sn11_2 O47_2 Sn14_2 -39(3) . . . . ? O46_2 Sn14_2 O49_2 Sn12_2 72.5(8) . . . . ? O47_2 Sn14_2 O49_2 Sn12_2 -68.6(7) . . . . ? O48_2 Sn14_2 O49_2 Sn12_2 3.2(18) . . . . ? C165_2 Sn14_2 O49_2 Sn12_2 -171.3(9) . . . . ? O37_2 Sn14_2 O49_2 Sn12_2 1.6(6) . . . . ? O36_2 Sn12_2 O49_2 Sn14_2 70.0(7) . . . . ? O51_2 Sn12_2 O49_2 Sn14_2 -73.5(8) . . . . ? C120_2 Sn12_2 O49_2 Sn14_2 173.8(9) . . . . ? O37_2 Sn12_2 O49_2 Sn14_2 -1.7(7) . . . . ? O42_2 Sn12_2 O49_2 Sn14_2 2(2) . . . . ? O61_2 Sn17_2 O51_2 Sn12_2 -20.5(19) . . . . ? O46_2 Sn17_2 O51_2 Sn12_2 -85.2(7) . . . . ? O56_2 Sn17_2 O51_2 Sn12_2 72.5(7) . . . . ? C195_2 Sn17_2 O51_2 Sn12_2 169.7(8) . . . . ? O37_2 Sn17_2 O51_2 Sn12_2 -7.2(6) . . . . ? O36_2 Sn12_2 O51_2 Sn17_2 -8.8(13) . . . . ? O49_2 Sn12_2 O51_2 Sn17_2 83.1(7) . . . . ? C120_2 Sn12_2 O51_2 Sn17_2 -172.8(9) . . . . ? O37_2 Sn12_2 O51_2 Sn17_2 7.2(6) . . . . ? O42_2 Sn12_2 O51_2 Sn17_2 -81.1(7) . . . . ? O43_2 Sn20_2 O52_2 Sn15_2 69.1(8) . . . . ? O45_2 Sn20_2 O52_2 Sn15_2 -18.2(6) . . . . ? C150_2 Sn20_2 O52_2 Sn15_2 -116.4(10) . . . . ? O34_2 Sn20_2 O52_2 Sn15_2 157.2(7) . . . . ? O57_2 Sn15_2 O52_2 Sn20_2 -77.6(7) . . . . ? O45_2 Sn15_2 O52_2 Sn20_2 18.6(6) . . . . ? O40_2 Sn15_2 O52_2 Sn20_2 -139.8(6) . . . . ? C180_2 Sn15_2 O52_2 Sn20_2 118.8(8) . . . . ? O41_2 Sn15_2 O52_2 Sn20_2 -15.0(15) . . . . ? O58_2 Sn18_2 O54_2 Sn11_2 159(2) . . . . ? O42_2 Sn18_2 O54_2 Sn11_2 -42.8(9) . . . . ? O56_2 Sn18_2 O54_2 Sn11_2 47.5(9) . . . . ? O35_2 Sn18_2 O54_2 Sn11_2 141.7(9) . . . . ? O59_2 Sn18_2 O54_2 Sn11_2 -130.2(9) . . . . ? Sn13_2 Sn18_2 O54_2 Sn11_2 154.1(12) . . . . ? O58_2 Sn18_2 O54_2 Sn13_2 5(3) . . . . ? O42_2 Sn18_2 O54_2 Sn13_2 163.1(6) . . . . ? O56_2 Sn18_2 O54_2 Sn13_2 -106.6(6) . . . . ? O35_2 Sn18_2 O54_2 Sn13_2 -12.5(6) . . . . ? O59_2 Sn18_2 O54_2 Sn13_2 75.6(7) . . . . ? O39_2 Sn11_2 O54_2 Sn18_2 -116.3(9) . . . . ? O41_2 Sn11_2 O54_2 Sn18_2 155.2(8) . . . . ? O36_2 Sn11_2 O54_2 Sn18_2 62.4(9) . . . . ? O37_2 Sn11_2 O54_2 Sn18_2 -12.8(9) . . . . ? O47_2 Sn11_2 O54_2 Sn18_2 12(4) . . . . ? O39_2 Sn11_2 O54_2 Sn13_2 31.6(9) . . . . ? O41_2 Sn11_2 O54_2 Sn13_2 -56.9(9) . . . . ? O36_2 Sn11_2 O54_2 Sn13_2 -149.7(8) . . . . ? O37_2 Sn11_2 O54_2 Sn13_2 135.1(8) . . . . ? O47_2 Sn11_2 O54_2 Sn13_2 160(3) . . . . ? O43_2 Sn13_2 O54_2 Sn18_2 -85.6(7) . . . . ? O57_2 Sn13_2 O54_2 Sn18_2 -179.7(6) . . . . ? O60_2 Sn13_2 O54_2 Sn18_2 106.5(6) . . . . ? O35_2 Sn13_2 O54_2 Sn18_2 12.5(6) . . . . ? O38_2 Sn13_2 O54_2 Sn18_2 13.9(14) . . . . ? Sn16_2 Sn13_2 O54_2 Sn18_2 143.0(5) . . . . ? O43_2 Sn13_2 O54_2 Sn11_2 120.0(9) . . . . ? O57_2 Sn13_2 O54_2 Sn11_2 25.9(8) . . . . ? O60_2 Sn13_2 O54_2 Sn11_2 -47.8(9) . . . . ? O35_2 Sn13_2 O54_2 Sn11_2 -141.8(9) . . . . ? O38_2 Sn13_2 O54_2 Sn11_2 -140.4(10) . . . . ? Sn18_2 Sn13_2 O54_2 Sn11_2 -154.4(12) . . . . ? Sn16_2 Sn13_2 O54_2 Sn11_2 -11.4(7) . . . . ? O58_2 Sn18_2 O56_2 Sn17_2 130.3(13) . . . . ? O42_2 Sn18_2 O56_2 Sn17_2 30.7(13) . . . . ? O54_2 Sn18_2 O56_2 Sn17_2 -61.2(13) . . . . ? O35_2 Sn18_2 O56_2 Sn17_2 -139.2(12) . . . . ? O59_2 Sn18_2 O56_2 Sn17_2 103(4) . . . . ? Sn13_2 Sn18_2 O56_2 Sn17_2 -101.0(12) . . . . ? O61_2 Sn17_2 O56_2 Sn18_2 107.8(13) . . . . ? O51_2 Sn17_2 O56_2 Sn18_2 -48.2(13) . . . . ? O46_2 Sn17_2 O56_2 Sn18_2 30(2) . . . . ? C195_2 Sn17_2 O56_2 Sn18_2 -152.2(13) . . . . ? O37_2 Sn17_2 O56_2 Sn18_2 23.8(12) . . . . ? O43_2 Sn13_2 O57_2 Sn15_2 -39.5(12) . . . . ? O60_2 Sn13_2 O57_2 Sn15_2 156.7(13) . . . . ? O35_2 Sn13_2 O57_2 Sn15_2 99(2) . . . . ? O38_2 Sn13_2 O57_2 Sn15_2 -128.9(11) . . . . ? O54_2 Sn13_2 O57_2 Sn15_2 58.9(11) . . . . ? Sn18_2 Sn13_2 O57_2 Sn15_2 58.7(13) . . . . ? Sn16_2 Sn13_2 O57_2 Sn15_2 141.8(15) . . . . ? O43_2 Sn13_2 O57_2 Sn16_2 178.7(7) . . . . ? O60_2 Sn13_2 O57_2 Sn16_2 14.9(6) . . . . ? O35_2 Sn13_2 O57_2 Sn16_2 -43(2) . . . . ? O38_2 Sn13_2 O57_2 Sn16_2 89.3(8) . . . . ? O54_2 Sn13_2 O57_2 Sn16_2 -82.9(7) . . . . ? Sn18_2 Sn13_2 O57_2 Sn16_2 -83.1(7) . . . . ? O45_2 Sn15_2 O57_2 Sn13_2 9.0(12) . . . . ? O40_2 Sn15_2 O57_2 Sn13_2 -160.2(13) . . . . ? C180_2 Sn15_2 O57_2 Sn13_2 141(2) . . . . ? O41_2 Sn15_2 O57_2 Sn13_2 -76.5(12) . . . . ? O52_2 Sn15_2 O57_2 Sn13_2 77.0(12) . . . . ? O45_2 Sn15_2 O57_2 Sn16_2 150.4(7) . . . . ? O40_2 Sn15_2 O57_2 Sn16_2 -18.8(6) . . . . ? C180_2 Sn15_2 O57_2 Sn16_2 -78(3) . . . . ? O41_2 Sn15_2 O57_2 Sn16_2 64.8(7) . . . . ? O52_2 Sn15_2 O57_2 Sn16_2 -141.7(8) . . . . ? O39_2 Sn16_2 O57_2 Sn13_2 73.2(7) . . . . ? O60_2 Sn16_2 O57_2 Sn13_2 -14.7(6) . . . . ? O40_2 Sn16_2 O57_2 Sn13_2 173.1(8) . . . . ? C135_2 Sn16_2 O57_2 Sn13_2 -101.5(11) . . . . ? O39_2 Sn16_2 O57_2 Sn15_2 -80.9(7) . . . . ? O60_2 Sn16_2 O57_2 Sn15_2 -168.8(8) . . . . ? O40_2 Sn16_2 O57_2 Sn15_2 19.0(6) . . . . ? C135_2 Sn16_2 O57_2 Sn15_2 104.4(11) . . . . ? Sn13_2 Sn16_2 O57_2 Sn15_2 -154.1(11) . . . . ? O43_2 Sn13_2 O60_2 Sn16_2 -69(2) . . . . ? O57_2 Sn13_2 O60_2 Sn16_2 -14.6(6) . . . . ? O35_2 Sn13_2 O60_2 Sn16_2 149.5(7) . . . . ? O38_2 Sn13_2 O60_2 Sn16_2 -137.3(7) . . . . ? O54_2 Sn13_2 O60_2 Sn16_2 72.6(7) . . . . ? Sn18_2 Sn13_2 O60_2 Sn16_2 111.4(5) . . . . ? O39_2 Sn16_2 O60_2 Sn13_2 -83.1(7) . . . . ? O57_2 Sn16_2 O60_2 Sn13_2 14.4(6) . . . . ? O40_2 Sn16_2 O60_2 Sn13_2 26.6(13) . . . . ? C135_2 Sn16_2 O60_2 Sn13_2 149.4(8) . . . . ? O36_2 Sn12_2 C120_2 C125_2 -133(2) . . . . ? O51_2 Sn12_2 C120_2 C125_2 37(2) . . . . ? O49_2 Sn12_2 C120_2 C125_2 131(2) . . . . ? O37_2 Sn12_2 C120_2 C125_2 -143(10) . . . . ? O42_2 Sn12_2 C120_2 C125_2 -51(2) . . . . ? O36_2 Sn12_2 C120_2 C121_2 39(2) . . . . ? O51_2 Sn12_2 C120_2 C121_2 -150.6(18) . . . . ? O49_2 Sn12_2 C120_2 C121_2 -56(2) . . . . ? O37_2 Sn12_2 C120_2 C121_2 29(12) . . . . ? O42_2 Sn12_2 C120_2 C121_2 121(2) . . . . ? C125_2 C120_2 C121_2 C122_2 1(4) . . . . ? Sn12_2 C120_2 C121_2 C122_2 -171.2(19) . . . . ? C125_2 C120_2 C121_2 C126_2 -172(3) . . . . ? Sn12_2 C120_2 C121_2 C126_2 16(4) . . . . ? C120_2 C121_2 C122_2 C123_2 2(4) . . . . ? C126_2 C121_2 C122_2 C123_2 175(3) . . . . ? C121_2 C122_2 C123_2 C124_2 -3(5) . . . . ? C121_2 C122_2 C123_2 C129_2 179(3) . . . . ? C122_2 C123_2 C124_2 C125_2 1(5) . . . . ? C129_2 C123_2 C124_2 C125_2 179(3) . . . . ? C121_2 C120_2 C125_2 C124_2 -3(4) . . . . ? Sn12_2 C120_2 C125_2 C124_2 169(2) . . . . ? C121_2 C120_2 C125_2 C132_2 179(3) . . . . ? Sn12_2 C120_2 C125_2 C132_2 -9(5) . . . . ? C123_2 C124_2 C125_2 C120_2 2(4) . . . . ? C123_2 C124_2 C125_2 C132_2 -179(3) . . . . ? C120_2 C121_2 C126_2 C128_2 112(3) . . . . ? C122_2 C121_2 C126_2 C128_2 -61(3) . . . . ? C120_2 C121_2 C126_2 C127_2 -126(3) . . . . ? C122_2 C121_2 C126_2 C127_2 62(3) . . . . ? C122_2 C123_2 C129_2 C130_2 124(4) . . . . ? C124_2 C123_2 C129_2 C130_2 -54(5) . . . . ? C122_2 C123_2 C129_2 C131_2 -75(5) . . . . ? C124_2 C123_2 C129_2 C131_2 107(4) . . . . ? C120_2 C125_2 C132_2 C133_2 108(4) . . . . ? C124_2 C125_2 C132_2 C133_2 -70(4) . . . . ? C120_2 C125_2 C132_2 C134_2 -101(4) . . . . ? C124_2 C125_2 C132_2 C134_2 81(2) . . . . ? O39_2 Sn16_2 C135_2 C140_2 0(3) . . . . ? O57_2 Sn16_2 C135_2 C140_2 173.2(18) . . . . ? O60_2 Sn16_2 C135_2 C140_2 98(2) . . . . ? O40_2 Sn16_2 C135_2 C140_2 -113(2) . . . . ? Sn13_2 Sn16_2 C135_2 C140_2 122(2) . . . . ? O39_2 Sn16_2 C135_2 C136_2 -174.7(16) . . . . ? O57_2 Sn16_2 C135_2 C136_2 -1(2) . . . . ? O60_2 Sn16_2 C135_2 C136_2 -76.3(19) . . . . ? O40_2 Sn16_2 C135_2 C136_2 72.3(19) . . . . ? Sn13_2 Sn16_2 C135_2 C136_2 -52(2) . . . . ? C140_2 C135_2 C136_2 C137_2 5(4) . . . . ? Sn16_2 C135_2 C136_2 C137_2 179.7(19) . . . . ? C140_2 C135_2 C136_2 C141_2 -177(2) . . . . ? Sn16_2 C135_2 C136_2 C141_2 -2(3) . . . . ? C135_2 C136_2 C137_2 C138_2 -4(4) . . . . ? C141_2 C136_2 C137_2 C138_2 178(2) . . . . ? C136_2 C137_2 C138_2 C139_2 2(4) . . . . ? C136_2 C137_2 C138_2 C144_2 175(2) . . . . ? C137_2 C138_2 C139_2 C140_2 -1(4) . . . . ? C144_2 C138_2 C139_2 C140_2 -174(3) . . . . ? C136_2 C135_2 C140_2 C139_2 -4(4) . . . . ? Sn16_2 C135_2 C140_2 C139_2 -179(2) . . . . ? C136_2 C135_2 C140_2 C147_2 -180(3) . . . . ? Sn16_2 C135_2 C140_2 C147_2 6(5) . . . . ? C138_2 C139_2 C140_2 C135_2 2(4) . . . . ? C138_2 C139_2 C140_2 C147_2 179(3) . . . . ? C135_2 C136_2 C141_2 C142_2 -133(3) . . . . ? C137_2 C136_2 C141_2 C142_2 45(3) . . . . ? C135_2 C136_2 C141_2 C143_2 103(3) . . . . ? C137_2 C136_2 C141_2 C143_2 -79(3) . . . . ? C139_2 C138_2 C144_2 C145_2 -84(4) . . . . ? C137_2 C138_2 C144_2 C145_2 103(4) . . . . ? C139_2 C138_2 C144_2 C146_2 145(4) . . . . ? C137_2 C138_2 C144_2 C146_2 -28(5) . . . . ? C135_2 C140_2 C147_2 C148_2 112(4) . . . . ? C139_2 C140_2 C147_2 C148_2 -64(4) . . . . ? C135_2 C140_2 C147_2 C149_2 -87(4) . . . . ? C139_2 C140_2 C147_2 C149_2 97(3) . . . . ? O43_2 Sn20_2 C150_2 C155_2 12(3) . . . . ? O52_2 Sn20_2 C150_2 C155_2 -161(2) . . . . ? O45_2 Sn20_2 C150_2 C155_2 121(2) . . . . ? O34_2 Sn20_2 C150_2 C155_2 -76(2) . . . . ? O43_2 Sn20_2 C150_2 C151_2 -163.8(18) . . . . ? O52_2 Sn20_2 C150_2 C151_2 23(3) . . . . ? O45_2 Sn20_2 C150_2 C151_2 -55(2) . . . . ? O34_2 Sn20_2 C150_2 C151_2 108(2) . . . . ? C155_2 C150_2 C151_2 C152_2 2(4) . . . . ? Sn20_2 C150_2 C151_2 C152_2 178(2) . . . . ? C155_2 C150_2 C151_2 C156_2 175(3) . . . . ? Sn20_2 C150_2 C151_2 C156_2 -9(4) . . . . ? C150_2 C151_2 C152_2 C153_2 -3(5) . . . . ? C156_2 C151_2 C152_2 C153_2 -176(3) . . . . ? C151_2 C152_2 C153_2 C154_2 4(5) . . . . ? C151_2 C152_2 C153_2 C159_2 -175(3) . . . . ? C152_2 C153_2 C154_2 C155_2 -4(5) . . . . ? C159_2 C153_2 C154_2 C155_2 174(3) . . . . ? C151_2 C150_2 C155_2 C154_2 -3(5) . . . . ? Sn20_2 C150_2 C155_2 C154_2 -178(2) . . . . ? C151_2 C150_2 C155_2 C162_2 -175(3) . . . . ? Sn20_2 C150_2 C155_2 C162_2 9(5) . . . . ? C153_2 C154_2 C155_2 C150_2 4(5) . . . . ? C153_2 C154_2 C155_2 C162_2 178(3) . . . . ? C150_2 C151_2 C156_2 C157_2 -81(4) . . . . ? C152_2 C151_2 C156_2 C157_2 92(4) . . . . ? C150_2 C151_2 C156_2 C158_2 155(3) . . . . ? C152_2 C151_2 C156_2 C158_2 -32(4) . . . . ? C154_2 C153_2 C159_2 C161_2 106(5) . . . . ? C152_2 C153_2 C159_2 C161_2 -75(5) . . . . ? C154_2 C153_2 C159_2 C160_2 -47(6) . . . . ? C152_2 C153_2 C159_2 C160_2 131(4) . . . . ? C150_2 C155_2 C162_2 C163_2 -115(4) . . . . ? C154_2 C155_2 C162_2 C163_2 72(3) . . . . ? C150_2 C155_2 C162_2 C164_2 79(4) . . . . ? C154_2 C155_2 C162_2 C164_2 -95(3) . . . . ? O46_2 Sn14_2 C165_2 C166_2 152(2) . . . . ? O47_2 Sn14_2 C165_2 C166_2 -40(2) . . . . ? O49_2 Sn14_2 C165_2 C166_2 53(2) . . . . ? O48_2 Sn14_2 C165_2 C166_2 -125(2) . . . . ? O37_2 Sn14_2 C165_2 C166_2 -31(9) . . . . ? O46_2 Sn14_2 C165_2 C170_2 -42(2) . . . . ? O47_2 Sn14_2 C165_2 C170_2 126(2) . . . . ? O49_2 Sn14_2 C165_2 C170_2 -141(2) . . . . ? O48_2 Sn14_2 C165_2 C170_2 41(2) . . . . ? O37_2 Sn14_2 C165_2 C170_2 136(6) . . . . ? C170_2 C165_2 C166_2 C167_2 -2(4) . . . . ? Sn14_2 C165_2 C166_2 C167_2 164(2) . . . . ? C170_2 C165_2 C166_2 C171_2 176(2) . . . . ? Sn14_2 C165_2 C166_2 C171_2 -18(4) . . . . ? C165_2 C166_2 C167_2 C168_2 2(5) . . . . ? C171_2 C166_2 C167_2 C168_2 -176(3) . . . . ? C166_2 C167_2 C168_2 C169_2 -1(5) . . . . ? C166_2 C167_2 C168_2 C174_2 -175(3) . . . . ? C167_2 C168_2 C169_2 C170_2 2(5) . . . . ? C174_2 C168_2 C169_2 C170_2 175(3) . . . . ? C168_2 C169_2 C170_2 C165_2 -2(5) . . . . ? C168_2 C169_2 C170_2 C177_2 169(3) . . . . ? C166_2 C165_2 C170_2 C169_2 2(4) . . . . ? Sn14_2 C165_2 C170_2 C169_2 -164(2) . . . . ? C166_2 C165_2 C170_2 C177_2 -168(3) . . . . ? Sn14_2 C165_2 C170_2 C177_2 26(4) . . . . ? C165_2 C166_2 C171_2 C173_2 -99(3) . . . . ? C167_2 C166_2 C171_2 C173_2 79(3) . . . . ? C165_2 C166_2 C171_2 C172_2 125(3) . . . . ? C167_2 C166_2 C171_2 C172_2 -57(4) . . . . ? C167_2 C168_2 C174_2 C175_2 68(4) . . . . ? C169_2 C168_2 C174_2 C175_2 -106(4) . . . . ? C167_2 C168_2 C174_2 C176_2 -62(4) . . . . ? C169_2 C168_2 C174_2 C176_2 125(4) . . . . ? C169_2 C170_2 C177_2 C179_2 -73(4) . . . . ? C165_2 C170_2 C177_2 C179_2 97(3) . . . . ? C169_2 C170_2 C177_2 C178_2 59(3) . . . . ? C165_2 C170_2 C177_2 C178_2 -131(3) . . . . ? O57_2 Sn15_2 C180_2 C185_2 -1(4) . . . . ? O45_2 Sn15_2 C180_2 C185_2 130(2) . . . . ? O40_2 Sn15_2 C180_2 C185_2 -56(2) . . . . ? O41_2 Sn15_2 C180_2 C185_2 -142(2) . . . . ? O52_2 Sn15_2 C180_2 C185_2 61(2) . . . . ? O57_2 Sn15_2 C180_2 C181_2 -179(82) . . . . ? O45_2 Sn15_2 C180_2 C181_2 -49(2) . . . . ? O40_2 Sn15_2 C180_2 C181_2 126(2) . . . . ? O41_2 Sn15_2 C180_2 C181_2 40(2) . . . . ? O52_2 Sn15_2 C180_2 C181_2 -117(2) . . . . ? C185_2 C180_2 C181_2 C182_2 -3(4) . . . . ? Sn15_2 C180_2 C181_2 C182_2 174.6(18) . . . . ? C185_2 C180_2 C181_2 C186_2 179(3) . . . . ? Sn15_2 C180_2 C181_2 C186_2 -3(4) . . . . ? C180_2 C181_2 C182_2 C183_2 -3(4) . . . . ? C186_2 C181_2 C182_2 C183_2 175(3) . . . . ? C181_2 C182_2 C183_2 C184_2 8(4) . . . . ? C181_2 C182_2 C183_2 C189_2 -176(3) . . . . ? C182_2 C183_2 C184_2 C185_2 -7(4) . . . . ? C189_2 C183_2 C184_2 C185_2 177(3) . . . . ? C181_2 C180_2 C185_2 C184_2 5(4) . . . . ? Sn15_2 C180_2 C185_2 C184_2 -173.1(19) . . . . ? C181_2 C180_2 C185_2 C192_2 -176(3) . . . . ? Sn15_2 C180_2 C185_2 C192_2 6(4) . . . . ? C183_2 C184_2 C185_2 C180_2 0(4) . . . . ? C183_2 C184_2 C185_2 C192_2 -179(3) . . . . ? C180_2 C181_2 C186_2 C188_2 105(4) . . . . ? C182_2 C181_2 C186_2 C188_2 -73(4) . . . . ? C180_2 C181_2 C186_2 C187_2 -95(4) . . . . ? C182_2 C181_2 C186_2 C187_2 87(2) . . . . ? C184_2 C183_2 C189_2 C191_2 106(3) . . . . ? C182_2 C183_2 C189_2 C191_2 -70(4) . . . . ? C184_2 C183_2 C189_2 C190_2 -128(3) . . . . ? C182_2 C183_2 C189_2 C190_2 56(4) . . . . ? C180_2 C185_2 C192_2 C193_2 -124(3) . . . . ? C184_2 C185_2 C192_2 C193_2 54(4) . . . . ? C180_2 C185_2 C192_2 C194_2 114(3) . . . . ? C184_2 C185_2 C192_2 C194_2 -67(3) . . . . ? O61_2 Sn17_2 C195_2 C196_2 133(2) . . . . ? O51_2 Sn17_2 C195_2 C196_2 -51(2) . . . . ? O46_2 Sn17_2 C195_2 C196_2 -138(2) . . . . ? O56_2 Sn17_2 C195_2 C196_2 43(2) . . . . ? O37_2 Sn17_2 C195_2 C196_2 -13(11) . . . . ? O61_2 Sn17_2 C195_2 C200_2 -34(2) . . . . ? O51_2 Sn17_2 C195_2 C200_2 142.2(18) . . . . ? O46_2 Sn17_2 C195_2 C200_2 55(2) . . . . ? O56_2 Sn17_2 C195_2 C200_2 -124.1(19) . . . . ? O37_2 Sn17_2 C195_2 C200_2 -180(100) . . . . ? C200_2 C195_2 C196_2 C197_2 5(4) . . . . ? Sn17_2 C195_2 C196_2 C197_2 -162(2) . . . . ? C200_2 C195_2 C196_2 C201_2 -173(2) . . . . ? Sn17_2 C195_2 C196_2 C201_2 20(4) . . . . ? C195_2 C196_2 C197_2 C198_2 0(4) . . . . ? C201_2 C196_2 C197_2 C198_2 178(2) . . . . ? C196_2 C197_2 C198_2 C199_2 -6(4) . . . . ? C196_2 C197_2 C198_2 C204_2 175(3) . . . . ? C197_2 C198_2 C199_2 C200_2 7(4) . . . . ? C204_2 C198_2 C199_2 C200_2 -175(3) . . . . ? C198_2 C199_2 C200_2 C195_2 -2(4) . . . . ? C198_2 C199_2 C200_2 C207_2 -178(2) . . . . ? C196_2 C195_2 C200_2 C199_2 -4(4) . . . . ? Sn17_2 C195_2 C200_2 C199_2 164(2) . . . . ? C196_2 C195_2 C200_2 C207_2 172(2) . . . . ? Sn17_2 C195_2 C200_2 C207_2 -20(3) . . . . ? C197_2 C196_2 C201_2 C202_2 40(3) . . . . ? C195_2 C196_2 C201_2 C202_2 -142(3) . . . . ? C197_2 C196_2 C201_2 C203_2 -80(3) . . . . ? C195_2 C196_2 C201_2 C203_2 98(3) . . . . ? C199_2 C198_2 C204_2 C205_2 -54(4) . . . . ? C197_2 C198_2 C204_2 C205_2 124(4) . . . . ? C199_2 C198_2 C204_2 C206_2 73(5) . . . . ? C197_2 C198_2 C204_2 C206_2 -108(4) . . . . ? C199_2 C200_2 C207_2 C208_2 -54(3) . . . . ? C195_2 C200_2 C207_2 C208_2 130(3) . . . . ? C199_2 C200_2 C207_2 C209_2 71(3) . . . . ? C195_2 C200_2 C207_2 C209_2 -105(3) . . . . ? O55_2 Sn19_2 C210_2 C211_2 -48(2) . . . . ? O35_2 Sn19_2 C210_2 C211_2 129(7) . . . . ? O38_2 Sn19_2 C210_2 C211_2 127(2) . . . . ? O44_2 Sn19_2 C210_2 C211_2 -137(2) . . . . ? O53_2 Sn19_2 C210_2 C211_2 43(2) . . . . ? O55_2 Sn19_2 C210_2 C215_2 137(2) . . . . ? O35_2 Sn19_2 C210_2 C215_2 -47(9) . . . . ? O38_2 Sn19_2 C210_2 C215_2 -49(2) . . . . ? O44_2 Sn19_2 C210_2 C215_2 48(2) . . . . ? O53_2 Sn19_2 C210_2 C215_2 -132(2) . . . . ? C215_2 C210_2 C211_2 C212_2 -2(4) . . . . ? Sn19_2 C210_2 C211_2 C212_2 -177(2) . . . . ? C215_2 C210_2 C211_2 C216_2 -176(3) . . . . ? Sn19_2 C210_2 C211_2 C216_2 8(4) . . . . ? C210_2 C211_2 C212_2 C213_2 2(5) . . . . ? C216_2 C211_2 C212_2 C213_2 177(3) . . . . ? C211_2 C212_2 C213_2 C214_2 -3(5) . . . . ? C211_2 C212_2 C213_2 C219_2 177(3) . . . . ? C212_2 C213_2 C214_2 C215_2 5(5) . . . . ? C219_2 C213_2 C214_2 C215_2 -175(3) . . . . ? C211_2 C210_2 C215_2 C214_2 4(4) . . . . ? Sn19_2 C210_2 C215_2 C214_2 179.1(19) . . . . ? C211_2 C210_2 C215_2 C222_2 -179(3) . . . . ? Sn19_2 C210_2 C215_2 C222_2 -3(4) . . . . ? C213_2 C214_2 C215_2 C210_2 -5(4) . . . . ? C213_2 C214_2 C215_2 C222_2 177(3) . . . . ? C210_2 C211_2 C216_2 C218_2 -111(4) . . . . ? C212_2 C211_2 C216_2 C218_2 74(4) . . . . ? C210_2 C211_2 C216_2 C217_2 114(4) . . . . ? C212_2 C211_2 C216_2 C217_2 -61(4) . . . . ? C212_2 C213_2 C219_2 C221_2 144(3) . . . . ? C214_2 C213_2 C219_2 C221_2 -36(5) . . . . ? C212_2 C213_2 C219_2 C220_2 -116(4) . . . . ? C214_2 C213_2 C219_2 C220_2 64(4) . . . . ? C210_2 C215_2 C222_2 C223_2 123(3) . . . . ? C214_2 C215_2 C222_2 C223_2 -60(3) . . . . ? C210_2 C215_2 C222_2 C224_2 -112(3) . . . . ? C214_2 C215_2 C222_2 C224_2 66(3) . . . . ? O50_2 S3_2 C225_2 C226_2 135(2) . . . . ? O31_2 S3_2 C225_2 C226_2 9(3) . . . . ? O34_2 S3_2 C225_2 C226_2 -108(3) . . . . ? O50_2 S3_2 C225_2 C230_2 -51(3) . . . . ? O31_2 S3_2 C225_2 C230_2 -177(3) . . . . ? O34_2 S3_2 C225_2 C230_2 66(3) . . . . ? C230_2 C225_2 C226_2 C227_2 -1(5) . . . . ? S3_2 C225_2 C226_2 C227_2 174(2) . . . . ? C225_2 C226_2 C227_2 C228_2 -5(6) . . . . ? C226_2 C227_2 C228_2 C229_2 9(8) . . . . ? C226_2 C227_2 C228_2 C231_2 -174(3) . . . . ? C227_2 C228_2 C229_2 C230_2 -8(9) . . . . ? C231_2 C228_2 C229_2 C230_2 175(5) . . . . ? C228_2 C229_2 C230_2 C225_2 4(9) . . . . ? C226_2 C225_2 C230_2 C229_2 1(7) . . . . ? S3_2 C225_2 C230_2 C229_2 -174(4) . . . . ? O32_2 S4_2 C232_2 C233_2 158(2) . . . . ? O33_2 S4_2 C232_2 C233_2 -79(3) . . . . ? O44_2 S4_2 C232_2 C233_2 38(3) . . . . ? O32_2 S4_2 C232_2 C237_2 -31(4) . . . . ? O33_2 S4_2 C232_2 C237_2 92(4) . . . . ? O44_2 S4_2 C232_2 C237_2 -151(3) . . . . ? C237_2 C232_2 C233_2 C234_2 7(5) . . . . ? S4_2 C232_2 C233_2 C234_2 179(2) . . . . ? C232_2 C233_2 C234_2 C235_2 -5(5) . . . . ? C233_2 C234_2 C235_2 C236_2 -11(6) . . . . ? C233_2 C234_2 C235_2 C238_2 -177(3) . . . . ? C234_2 C235_2 C236_2 C237_2 25(7) . . . . ? C238_2 C235_2 C236_2 C237_2 -170(5) . . . . ? C235_2 C236_2 C237_2 C232_2 -24(9) . . . . ? C233_2 C232_2 C237_2 C236_2 8(7) . . . . ? S4_2 C232_2 C237_2 C236_2 -165(5) . . . . ? O4_1 Sn1_1 O82_3 Sn8_1 91.4(6) . . . . ? O11_1 Sn1_1 O82_3 Sn8_1 -175.6(5) . . . . ? O23_1 Sn1_1 O82_3 Sn8_1 -8.4(5) . . . . ? O14_1 Sn1_1 O82_3 Sn8_1 -104.7(6) . . . . ? O12_1 Sn1_1 O82_3 Sn8_1 -10.3(15) . . . . ? Sn5_1 Sn1_1 O82_3 Sn8_1 -2.0(6) . . . . ? Sn6_1 Sn1_1 O82_3 Sn8_1 -134.9(4) . . . . ? O23_1 Sn8_1 O82_3 Sn1_1 8.4(5) . . . . ? O29_1 Sn8_1 O82_3 Sn1_1 91.1(6) . . . . ? O26_1 Sn8_1 O82_3 Sn1_1 -5.6(17) . . . . ? C91_1 Sn8_1 O82_3 Sn1_1 -175.3(7) . . . . ? O8_1 Sn8_1 O82_3 Sn1_1 -77.7(6) . . . . ? O66_3 S5_3 C239_3 C240_3 -30(3) . . . . ? O63_3 S5_3 C239_3 C240_3 -154(2) . . . . ? O64_3 S5_3 C239_3 C240_3 89(2) . . . . ? O66_3 S5_3 C239_3 C244_3 155(2) . . . . ? O63_3 S5_3 C239_3 C244_3 31(3) . . . . ? O64_3 S5_3 C239_3 C244_3 -85(2) . . . . ? C244_3 C239_3 C240_3 C241_3 1(4) . . . . ? S5_3 C239_3 C240_3 C241_3 -174(2) . . . . ? C239_3 C240_3 C241_3 C242_3 -2(4) . . . . ? C240_3 C241_3 C242_3 C243_3 -2(5) . . . . ? C240_3 C241_3 C242_3 C245_3 177(3) . . . . ? C241_3 C242_3 C243_3 C244_3 5(5) . . . . ? C245_3 C242_3 C243_3 C244_3 -173(3) . . . . ? C240_3 C239_3 C244_3 C243_3 3(4) . . . . ? S5_3 C239_3 C244_3 C243_3 178(2) . . . . ? C242_3 C243_3 C244_3 C239_3 -6(5) . . . . ? O62_3 S6_3 C246_3 C251_3 33(2) . . . . ? O86_3 S6_3 C246_3 C251_3 156(2) . . . . ? O65_3 S6_3 C246_3 C251_3 -84(2) . . . . ? O62_3 S6_3 C246_3 C247_3 -149(2) . . . . ? O86_3 S6_3 C246_3 C247_3 -26(2) . . . . ? O65_3 S6_3 C246_3 C247_3 94(2) . . . . ? C251_3 C246_3 C247_3 C248_3 1(4) . . . . ? S6_3 C246_3 C247_3 C248_3 -178(2) . . . . ? C246_3 C247_3 C248_3 C249_3 -2(4) . . . . ? C247_3 C248_3 C249_3 C250_3 4(5) . . . . ? C247_3 C248_3 C249_3 C252_3 -176(3) . . . . ? C248_3 C249_3 C250_3 C251_3 -4(5) . . . . ? C252_3 C249_3 C250_3 C251_3 175(3) . . . . ? C247_3 C246_3 C251_3 C250_3 -2(4) . . . . ? S6_3 C246_3 C251_3 C250_3 177(2) . . . . ? C249_3 C250_3 C251_3 C246_3 3(5) . . . . ? O77_3 S7_3 C253_3 C254_3 -35(3) . . . . ? O67_3 S7_3 C253_3 C254_3 83(2) . . . . ? O68_3 S7_3 C253_3 C254_3 -154(2) . . . . ? O77_3 S7_3 C253_3 C258_3 148(2) . . . . ? O67_3 S7_3 C253_3 C258_3 -94(2) . . . . ? O68_3 S7_3 C253_3 C258_3 29(3) . . . . ? C258_3 C253_3 C254_3 C255_3 0(4) . . . . ? S7_3 C253_3 C254_3 C255_3 -176(2) . . . . ? C253_3 C254_3 C255_3 C256_3 -1(4) . . . . ? C254_3 C255_3 C256_3 C257_3 -1(5) . . . . ? C254_3 C255_3 C256_3 C259_3 179(3) . . . . ? C255_3 C256_3 C257_3 C258_3 5(4) . . . . ? C259_3 C256_3 C257_3 C258_3 -176(3) . . . . ? C256_3 C257_3 C258_3 C253_3 -6(4) . . . . ? C254_3 C253_3 C258_3 C257_3 3(4) . . . . ? S7_3 C253_3 C258_3 C257_3 180(2) . . . . ? O74_3 S8_3 C260_3 C265_3 167(3) . . . . ? O71_3 S8_3 C260_3 C265_3 49(3) . . . . ? O73_3 S8_3 C260_3 C265_3 -72(3) . . . . ? O74_3 S8_3 C260_3 C261_3 -10(3) . . . . ? O71_3 S8_3 C260_3 C261_3 -127(3) . . . . ? O73_3 S8_3 C260_3 C261_3 112(3) . . . . ? C265_3 C260_3 C261_3 C262_3 3(5) . . . . ? S8_3 C260_3 C261_3 C262_3 179(2) . . . . ? C260_3 C261_3 C262_3 C263_3 -5(6) . . . . ? C261_3 C262_3 C263_3 C264_3 3(8) . . . . ? C261_3 C262_3 C263_3 C266_3 -176(4) . . . . ? C262_3 C263_3 C264_3 C265_3 0(8) . . . . ? C266_3 C263_3 C264_3 C265_3 179(4) . . . . ? C261_3 C260_3 C265_3 C264_3 0(5) . . . . ? S8_3 C260_3 C265_3 C264_3 -176(3) . . . . ? C263_3 C264_3 C265_3 C260_3 -2(7) . . . . ? O80_3 S9_3 C267_3 C272_3 108(3) . . . . ? O70_3 S9_3 C267_3 C272_3 -130(2) . . . . ? O79_3 S9_3 C267_3 C272_3 -11(3) . . . . ? O80_3 S9_3 C267_3 C268_3 -74(3) . . . . ? O70_3 S9_3 C267_3 C268_3 48(3) . . . . ? O79_3 S9_3 C267_3 C268_3 167(2) . . . . ? C272_3 C267_3 C268_3 C269_3 -3(5) . . . . ? S9_3 C267_3 C268_3 C269_3 179(2) . . . . ? C267_3 C268_3 C269_3 C270_3 9(5) . . . . ? C268_3 C269_3 C270_3 C271_3 -13(5) . . . . ? C268_3 C269_3 C270_3 C273_3 179(3) . . . . ? C269_3 C270_3 C271_3 C272_3 12(5) . . . . ? C273_3 C270_3 C271_3 C272_3 180(3) . . . . ? C268_3 C267_3 C272_3 C271_3 2(4) . . . . ? S9_3 C267_3 C272_3 C271_3 179(2) . . . . ? C270_3 C271_3 C272_3 C267_3 -6(4) . . . . ? O69_3 S10_3 C274_3 C275_3 163(2) . . . . ? O76_3 S10_3 C274_3 C275_3 43(3) . . . . ? O75_3 S10_3 C274_3 C275_3 -76(3) . . . . ? O69_3 S10_3 C274_3 C279_3 -22(3) . . . . ? O76_3 S10_3 C274_3 C279_3 -142(2) . . . . ? O75_3 S10_3 C274_3 C279_3 99(3) . . . . ? C279_3 C274_3 C275_3 C276_3 2(5) . . . . ? S10_3 C274_3 C275_3 C276_3 177(2) . . . . ? C274_3 C275_3 C276_3 C277_3 -1(5) . . . . ? C275_3 C276_3 C277_3 C278_3 1(6) . . . . ? C275_3 C276_3 C277_3 C280_3 -177(4) . . . . ? C276_3 C277_3 C278_3 C279_3 -2(6) . . . . ? C280_3 C277_3 C278_3 C279_3 176(4) . . . . ? C275_3 C274_3 C279_3 C278_3 -3(5) . . . . ? S10_3 C274_3 C279_3 C278_3 -178(2) . . . . ? C277_3 C278_3 C279_3 C274_3 3(5) . . . . ? O81_3 S11_3 C281_3 C282_3 -67(3) . . . . ? O72_3 S11_3 C281_3 C282_3 53(3) . . . . ? O78_3 S11_3 C281_3 C282_3 177(3) . . . . ? O81_3 S11_3 C281_3 C286_3 128(3) . . . . ? O72_3 S11_3 C281_3 C286_3 -112(3) . . . . ? O78_3 S11_3 C281_3 C286_3 12(4) . . . . ? C286_3 C281_3 C282_3 C283_3 -17(6) . . . . ? S11_3 C281_3 C282_3 C283_3 176(4) . . . . ? C281_3 C282_3 C283_3 C284_3 -3(7) . . . . ? C282_3 C283_3 C284_3 C285_3 18(7) . . . . ? C282_3 C283_3 C284_3 C287_3 177(4) . . . . ? C283_3 C284_3 C285_3 C286_3 -12(7) . . . . ? C287_3 C284_3 C285_3 C286_3 -170(4) . . . . ? C284_3 C285_3 C286_3 C281_3 -10(8) . . . . ? C282_3 C281_3 C286_3 C285_3 24(6) . . . . ? S11_3 C281_3 C286_3 C285_3 -171(4) . . . . ? O85_3 S12_3 C288_3 C293_3 16(5) . . . . ? O84_3 S12_3 C288_3 C293_3 -115(4) . . . . ? O83_3 S12_3 C288_3 C293_3 133(4) . . . . ? O85_3 S12_3 C288_3 C289_3 -163(4) . . . . ? O84_3 S12_3 C288_3 C289_3 65(4) . . . . ? O83_3 S12_3 C288_3 C289_3 -47(4) . . . . ? C293_3 C288_3 C289_3 C290_3 1(7) . . . . ? S12_3 C288_3 C289_3 C290_3 -179(4) . . . . ? C288_3 C289_3 C290_3 C291_3 2(8) . . . . ? C289_3 C290_3 C291_3 C292_3 -10(6) . . . . ? C289_3 C290_3 C291_3 C294_3 175(4) . . . . ? C290_3 C291_3 C292_3 C293_3 13(5) . . . . ? C294_3 C291_3 C292_3 C293_3 -171(3) . . . . ? C291_3 C292_3 C293_3 C288_3 -10(7) . . . . ? C289_3 C288_3 C293_3 C292_3 4(8) . . . . ? S12_3 C288_3 C293_3 C292_3 -176(4) . . . . ? C300_3 C295_3 C296_3 C297_3 2(2) . . . . ? C301_3 C295_3 C296_3 C297_3 168(3) . . . . ? C295_3 C296_3 C297_3 C298_3 2(3) . . . . ? C296_3 C297_3 C298_3 C299_3 -2(4) . . . . ? C297_3 C298_3 C299_3 C300_3 -1(5) . . . . ? C296_3 C295_3 C300_3 C299_3 -5(5) . . . . ? C301_3 C295_3 C300_3 C299_3 -170(3) . . . . ? C298_3 C299_3 C300_3 C295_3 5(5) . . . . ? C305_3 C302_3 C303_3 C304_3 -2(5) . . . . ? C305_3 O87_3 C304_3 C303_3 -6(5) . . . . ? C302_3 C303_3 C304_3 O87_3 6(7) . . . . ? C304_3 O87_3 C305_3 C302_3 5(5) . . . . ? C303_3 C302_3 C305_3 O87_3 -2(5) . . . . ? C309_3 O88_3 C306_3 C307_3 -7(5) . . . . ? O88_3 C306_3 C307_3 C308_3 3(3) . . . . ? C306_3 C307_3 C308_3 C309_3 0(4) . . . . ? C306_3 O88_3 C309_3 C308_3 8(5) . . . . ? C307_3 C308_3 C309_3 O88_3 -3(3) . . . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 21.04 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 3.845 _refine_diff_density_min -2.901 _refine_diff_density_rms 0.182 #===END data_compound3a _database_code_depnum_ccdc_archive 'CCDC 624647' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C87.50 H119.50 O16 S4 Sn3' _chemical_formula_weight 1911.64 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' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 14.53960(10) _cell_length_b 17.69610(10) _cell_length_c 18.87450(10) _cell_angle_alpha 94.1887(3) _cell_angle_beta 99.7233(3) _cell_angle_gamma 109.3132(3) _cell_volume 4473.59(5) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.75 _exptl_crystal_size_mid 0.50 _exptl_crystal_size_min 0.25 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.419 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1973 _exptl_absorpt_coefficient_mu 0.986 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.5250 _exptl_absorpt_correction_T_max 0.7906 _exptl_absorpt_process_details scalepack _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius Kappa-CCD' _diffrn_measurement_method '\f and \w' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 40387 _diffrn_reflns_av_R_equivalents 0.0126 _diffrn_reflns_av_sigmaI/netI 0.0180 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 3.26 _diffrn_reflns_theta_max 27.51 _reflns_number_total 20465 _reflns_number_gt 18693 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Kappa-CCD; COLLECT(Nonius, 1998)' _computing_cell_refinement 'DENZO (Otwinowski & Miror, 1997)and COLLECT' _computing_data_reduction 'DENZO and COLLECT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material 'SHELXL-97 (Sheldrick,1997)' _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^)+(0.0395P)^2^+9.9976P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 20465 _refine_ls_number_parameters 1000 _refine_ls_number_restraints 10 _refine_ls_R_factor_all 0.0371 _refine_ls_R_factor_gt 0.0329 _refine_ls_wR_factor_ref 0.0870 _refine_ls_wR_factor_gt 0.0829 _refine_ls_goodness_of_fit_ref 1.033 _refine_ls_restrained_S_all 5.638 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Sn1 Sn 0.31444(6) 0.34861(5) 0.22465(4) 0.0148(2) Uani 1 1 d . . . Sn2 Sn 0.42088(6) 0.22007(5) 0.27903(4) 0.0152(2) Uani 1 1 d . . . Sn3 Sn 0.17642(6) 0.16272(5) 0.23231(4) 0.0156(2) Uani 1 1 d . . . S1 S 0.5148(2) 0.33597(19) 0.15562(17) 0.0171(6) Uani 1 1 d . . . S2 S 0.2963(3) 0.04223(19) 0.17285(18) 0.0203(6) Uani 1 1 d . . . S3 S 0.1389(2) 0.2372(2) 0.07867(17) 0.0195(6) Uani 1 1 d . . . S4 S 0.2795(3) 0.2665(2) 0.45786(19) 0.0269(8) Uani 1 1 d . . . O1 O 0.4184(7) 0.3365(5) 0.3123(5) 0.0176(18) Uani 1 1 d . . . H1 H 0.4543 0.3733 0.3550 0.021 Uiso 1 1 calc R . . O2 O 0.4319(7) 0.3657(6) 0.1607(5) 0.0201(19) Uani 1 1 d . . . O3 O 0.1948(7) 0.2837(5) 0.2694(5) 0.0179(18) Uani 1 1 d . . . H3 H 0.1583 0.3034 0.2987 0.022 Uiso 1 1 calc R . . O4 O 0.1951(7) 0.3156(6) 0.1252(5) 0.022(2) Uani 1 1 d . . . O5 O 0.2087(7) 0.0685(6) 0.1687(5) 0.0212(19) Uani 1 1 d . . . O6 O 0.3901(7) 0.1090(6) 0.2091(5) 0.022(2) Uani 1 1 d . . . O7 O 0.6099(7) 0.3993(6) 0.1725(6) 0.026(2) Uani 1 1 d . . . O8 O 0.1058(7) 0.1728(6) 0.1252(5) 0.0217(19) Uani 1 1 d . . . O9 O 0.5095(7) 0.2694(6) 0.2007(5) 0.0197(19) Uani 1 1 d . . . O10 O 0.1904(8) 0.2167(7) 0.0265(6) 0.030(2) Uani 1 1 d . . . O11 O 0.2011(9) 0.2828(7) 0.4087(6) 0.031(2) Uani 1 1 d . . . O12 O 0.2835(9) -0.0305(6) 0.2049(6) 0.029(2) Uani 1 1 d . . . O13 O 0.2722(10) 0.1819(8) 0.4451(6) 0.038(3) Uani 1 1 d . . . O14 O 0.3779(9) 0.3221(9) 0.4568(6) 0.042(3) Uani 1 1 d . . . O15 O 0.2895(7) 0.1572(6) 0.3129(5) 0.0183(18) Uani 1 1 d . . . H15 H 0.2832 0.1319 0.3555 0.022 Uiso 1 1 calc R . . O16 O 0.3067(6) 0.2317(5) 0.2016(5) 0.0149(17) Uani 1 1 d . . . C1 C 0.3349(11) 0.4745(8) 0.2329(9) 0.025(3) Uani 1 1 d . . . C2 C 0.3517(13) 0.5190(10) 0.1743(10) 0.033(4) Uani 1 1 d . . . C3 C 0.3817(18) 0.6031(11) 0.1900(12) 0.050(5) Uani 1 1 d . . . H3C H 0.3932 0.6342 0.1513 0.060 Uiso 1 1 calc R . . C4 C 0.396(2) 0.6441(12) 0.2593(13) 0.056(6) Uani 1 1 d . . . C5 C 0.3732(19) 0.5988(11) 0.3141(12) 0.054(6) Uani 1 1 d . . . H5 H 0.3783 0.6253 0.3610 0.065 Uiso 1 1 calc R . . C6 C 0.3430(14) 0.5146(9) 0.3024(10) 0.036(4) Uani 1 1 d . . . C7 C 0.3399(12) 0.4818(9) 0.0968(9) 0.029(3) Uani 1 1 d . . . H7 H 0.3205 0.4219 0.0956 0.034 Uiso 1 1 calc R . . C8 C 0.4370(14) 0.5126(10) 0.0690(10) 0.036(4) Uani 1 1 d . . . H8A H 0.4269 0.4858 0.0195 0.054 Uiso 1 1 calc R . . H8B H 0.4895 0.5004 0.1008 0.054 Uiso 1 1 calc R . . H8C H 0.4568 0.5711 0.0689 0.054 Uiso 1 1 calc R . . C9 C 0.2567(17) 0.4989(15) 0.0475(14) 0.059(6) Uani 1 1 d . . . H9A H 0.2415 0.4671 -0.0004 0.089 Uiso 1 1 calc R . . H9B H 0.2779 0.5566 0.0427 0.089 Uiso 1 1 calc R . . H9C H 0.1971 0.4839 0.0687 0.089 Uiso 1 1 calc R . . C10 C 0.3235(12) 0.4727(9) 0.3678(9) 0.032(3) Uani 1 1 d . . . H10 H 0.3088 0.4139 0.3529 0.038 Uiso 1 1 calc R . . C11 C 0.4154(14) 0.5019(12) 0.4298(11) 0.047(5) Uani 1 1 d . . . H11A H 0.4005 0.4727 0.4710 0.070 Uiso 1 1 calc R . . H11B H 0.4335 0.5600 0.4449 0.070 Uiso 1 1 calc R . . H11C H 0.4711 0.4917 0.4132 0.070 Uiso 1 1 calc R . . C12 C 0.2321(14) 0.4805(11) 0.3929(11) 0.041(4) Uani 1 1 d . . . H12A H 0.2202 0.4505 0.4341 0.062 Uiso 1 1 calc R . . H12B H 0.1739 0.4583 0.3529 0.062 Uiso 1 1 calc R . . H12C H 0.2436 0.5376 0.4077 0.062 Uiso 1 1 calc R . . C13 C 0.433(2) 0.7381(14) 0.2724(14) 0.072(8) Uani 1 1 d . . . H13 H 0.4872 0.7583 0.2446 0.087 Uiso 1 1 calc R . . C14 C 0.476(2) 0.7739(13) 0.3511(15) 0.071(8) Uani 1 1 d . . . H14A H 0.5297 0.7541 0.3701 0.106 Uiso 1 1 calc R . . H14B H 0.4238 0.7577 0.3793 0.106 Uiso 1 1 calc R . . H14C H 0.5029 0.8330 0.3550 0.106 Uiso 1 1 calc R . . C14' C 0.346(4) 0.7638(18) 0.2393(16) 0.14(2) Uani 1 1 d . . . H14D H 0.3272 0.7453 0.1869 0.203 Uiso 1 1 calc R . . H14E H 0.3665 0.8228 0.2479 0.203 Uiso 1 1 calc R . . H14F H 0.2893 0.7396 0.2618 0.203 Uiso 1 1 calc R . . C15 C 0.5413(11) 0.2159(10) 0.3605(8) 0.026(3) Uani 1 1 d . . . C16 C 0.6291(12) 0.2844(11) 0.3823(9) 0.035(4) Uani 1 1 d . . . C17 C 0.7029(16) 0.2817(16) 0.4382(14) 0.076(9) Uani 1 1 d . . . H17 H 0.7623 0.3275 0.4524 0.091 Uiso 1 1 calc R . . C18 C 0.6935(19) 0.215(2) 0.474(2) 0.111(16) Uani 1 1 d . . . C19 C 0.6082(17) 0.1482(17) 0.4504(16) 0.082(10) Uani 1 1 d . . . H19 H 0.6020 0.1010 0.4731 0.099 Uiso 1 1 calc R . . C20 C 0.5306(12) 0.1465(11) 0.3952(10) 0.039(4) Uani 1 1 d . . . C21 C 0.6521(11) 0.3622(9) 0.3493(8) 0.025(3) Uani 1 1 d . . . H21 H 0.5929 0.3575 0.3112 0.030 Uiso 1 1 calc R . . C22 C 0.7407(12) 0.3741(13) 0.3127(10) 0.040(4) Uani 1 1 d . . . H22A H 0.7530 0.4234 0.2897 0.061 Uiso 1 1 calc R . . H22B H 0.7262 0.3275 0.2758 0.061 Uiso 1 1 calc R . . H22C H 0.7998 0.3791 0.3491 0.061 Uiso 1 1 calc R . . C23 C 0.6712(17) 0.4351(14) 0.4054(12) 0.056(6) Uani 1 1 d . . . H23A H 0.6785 0.4832 0.3811 0.083 Uiso 1 1 calc R . . H23B H 0.7324 0.4438 0.4411 0.083 Uiso 1 1 calc R . . H23C H 0.6151 0.4252 0.4301 0.083 Uiso 1 1 calc R . . C24 C 0.775(3) 0.214(3) 0.537(3) 0.17(3) Uani 1 1 d . . . H24 H 0.7489 0.1629 0.5585 0.209 Uiso 1 1 calc R . . C25 C 0.804(3) 0.284(5) 0.596(2) 0.20(3) Uani 1 1 d . . . H25A H 0.7445 0.2853 0.6133 0.296 Uiso 1 1 calc R . . H25B H 0.8344 0.3340 0.5770 0.296 Uiso 1 1 calc R . . H25C H 0.8516 0.2772 0.6362 0.296 Uiso 1 1 calc R . . C26 C 0.864(3) 0.213(3) 0.507(3) 0.15(2) Uani 1 1 d . . . H26A H 0.9190 0.2174 0.5477 0.231 Uiso 1 1 calc R . . H26B H 0.8853 0.2593 0.4806 0.231 Uiso 1 1 calc R . . H26C H 0.8474 0.1628 0.4749 0.231 Uiso 1 1 calc R . . C27 C 0.4415(12) 0.0688(10) 0.3775(9) 0.032(3) Uani 1 1 d . . . H27 H 0.3897 0.0769 0.3398 0.038 Uiso 1 1 calc R . . C28 C 0.3972(14) 0.0493(13) 0.4451(11) 0.043(4) Uani 1 1 d . . . H28A H 0.3365 0.0013 0.4321 0.065 Uiso 1 1 calc R . . H28B H 0.3810 0.0953 0.4643 0.065 Uiso 1 1 calc R . . H28C H 0.4458 0.0389 0.4822 0.065 Uiso 1 1 calc R . . C29 C 0.469(2) -0.0010(15) 0.3466(12) 0.059(6) Uani 1 1 d . . . H29A H 0.4088 -0.0493 0.3321 0.088 Uiso 1 1 calc R . . H29B H 0.5170 -0.0119 0.3836 0.088 Uiso 1 1 calc R . . H29C H 0.4982 0.0134 0.3043 0.088 Uiso 1 1 calc R . . C30 C 0.0373(10) 0.0982(9) 0.2625(7) 0.023(3) Uani 1 1 d . . . C31 C 0.0233(11) 0.0237(9) 0.2886(8) 0.028(3) Uani 1 1 d . . . C32 C -0.0655(13) -0.0147(12) 0.3112(10) 0.040(4) Uani 1 1 d . . . H32 H -0.0758 -0.0657 0.3277 0.048 Uiso 1 1 calc R . . C33 C -0.1390(11) 0.0193(13) 0.3102(10) 0.045(5) Uani 1 1 d D . . C34 C -0.1234(12) 0.0923(12) 0.2846(9) 0.037(4) Uani 1 1 d . . . H34 H -0.1734 0.1159 0.2836 0.044 Uiso 1 1 calc R . . C35 C -0.0374(11) 0.1335(10) 0.2598(8) 0.027(3) Uani 1 1 d . . . C36 C 0.0973(12) -0.0202(9) 0.2930(9) 0.031(3) Uani 1 1 d . . . H36 H 0.1578 0.0152 0.2774 0.038 Uiso 1 1 calc R . . C37 C 0.1300(15) -0.0347(12) 0.3709(11) 0.044(4) Uani 1 1 d . . . H37A H 0.1794 -0.0614 0.3720 0.066 Uiso 1 1 calc R . . H37B H 0.0720 -0.0693 0.3876 0.066 Uiso 1 1 calc R . . H37C H 0.1593 0.0171 0.4027 0.066 Uiso 1 1 calc R . . C38 C 0.0552(18) -0.0997(12) 0.2409(12) 0.052(5) Uani 1 1 d . . . H38A H 0.1064 -0.1246 0.2418 0.079 Uiso 1 1 calc R . . H38B H 0.0350 -0.0890 0.1916 0.079 Uiso 1 1 calc R . . H38C H -0.0027 -0.1365 0.2561 0.079 Uiso 1 1 calc R . . C39 C -0.2364(14) -0.0150(16) 0.3350(12) 0.081(10) Uani 1 1 d D . . H39 H -0.2634 0.0302 0.3364 0.097 Uiso 1 1 calc RD . . C40 C -0.3115(18) -0.080(2) 0.2795(15) 0.17(3) Uani 1 1 d D . . H40A H -0.3255 -0.0578 0.2346 0.254 Uiso 1 1 calc R . . H40B H -0.3730 -0.1019 0.2976 0.254 Uiso 1 1 calc R . . H40C H -0.2854 -0.1234 0.2698 0.254 Uiso 1 1 calc R . . C41 C -0.220(2) -0.032(2) 0.4105(13) 0.138(19) Uani 1 1 d D . . H41A H -0.1889 0.0195 0.4432 0.207 Uiso 1 1 calc R . . H41B H -0.1769 -0.0639 0.4162 0.207 Uiso 1 1 calc R . . H41C H -0.2845 -0.0616 0.4222 0.207 Uiso 1 1 calc R . . C42 C -0.0333(11) 0.2130(10) 0.2332(9) 0.030(3) Uani 1 1 d . . . H42 H 0.0289 0.2345 0.2138 0.036 Uiso 1 1 calc R . . C43 C -0.1221(13) 0.2006(13) 0.1720(10) 0.041(4) Uani 1 1 d D . . H43A H -0.1168 0.2521 0.1541 0.062 Uiso 1 1 calc R . . H43B H -0.1838 0.1803 0.1901 0.062 Uiso 1 1 calc R . . H43C H -0.1229 0.1613 0.1323 0.062 Uiso 1 1 calc R . . C44 C -0.0293(15) 0.2751(13) 0.2964(12) 0.047(5) Uani 1 1 d . . . H44A H -0.0204 0.3276 0.2795 0.070 Uiso 1 1 calc R . . H44B H 0.0266 0.2803 0.3359 0.070 Uiso 1 1 calc R . . H44C H -0.0917 0.2567 0.3140 0.070 Uiso 1 1 calc R . . C45 C 0.4952(10) 0.2917(8) 0.0648(7) 0.021(3) Uani 1 1 d . . . C46 C 0.4156(11) 0.2953(9) 0.0151(8) 0.024(3) Uani 1 1 d . . . H46 H 0.3706 0.3181 0.0309 0.029 Uiso 1 1 calc R . . C47 C 0.4010(13) 0.2654(10) -0.0583(8) 0.032(3) Uani 1 1 d . . . C48 C 0.4676(15) 0.2317(11) -0.0784(9) 0.040(4) Uani 1 1 d . . . H48 H 0.4586 0.2104 -0.1278 0.048 Uiso 1 1 calc R . . C49 C 0.5472(16) 0.2285(12) -0.0284(9) 0.042(4) Uani 1 1 d . . . H49 H 0.5917 0.2053 -0.0445 0.051 Uiso 1 1 calc R . . C50 C 0.5639(13) 0.2582(11) 0.0448(9) 0.033(3) Uani 1 1 d . . . C51 C 0.3168(15) 0.2734(14) -0.1125(10) 0.047(5) Uani 1 1 d . . . H51A H 0.2551 0.2548 -0.0940 0.071 Uiso 1 1 calc R . . H51B H 0.3084 0.2403 -0.1587 0.071 Uiso 1 1 calc R . . H51C H 0.3322 0.3301 -0.1199 0.071 Uiso 1 1 calc R . . C52 C 0.6518(16) 0.2532(16) 0.0971(11) 0.054(6) Uani 1 1 d . . . H52A H 0.6948 0.3077 0.1205 0.080 Uiso 1 1 calc R . . H52B H 0.6897 0.2286 0.0707 0.080 Uiso 1 1 calc R . . H52C H 0.6280 0.2200 0.1342 0.080 Uiso 1 1 calc R . . C53 C 0.3081(11) 0.0239(8) 0.0822(8) 0.024(3) Uani 1 1 d . . . C54 C 0.2497(12) 0.0467(9) 0.0281(8) 0.030(3) Uani 1 1 d . . . H54 H 0.2088 0.0756 0.0407 0.036 Uiso 1 1 calc R . . C55 C 0.2504(14) 0.0273(11) -0.0450(9) 0.036(4) Uani 1 1 d . . . C56 C 0.3115(14) -0.0145(12) -0.0606(9) 0.041(4) Uani 1 1 d . . . H56 H 0.3120 -0.0296 -0.1099 0.049 Uiso 1 1 calc R . . C57 C 0.3720(14) -0.0348(11) -0.0063(10) 0.039(4) Uani 1 1 d . . . H57 H 0.4141 -0.0622 -0.0193 0.047 Uiso 1 1 calc R . . C58 C 0.3730(12) -0.0162(10) 0.0671(9) 0.031(3) Uani 1 1 d . . . C59 C 0.1840(19) 0.0497(15) -0.1039(10) 0.054(5) Uani 1 1 d . . . H59A H 0.1824 0.1033 -0.0885 0.081 Uiso 1 1 calc R . . H59B H 0.1165 0.0097 -0.1128 0.081 Uiso 1 1 calc R . . H59C H 0.2100 0.0506 -0.1486 0.081 Uiso 1 1 calc R . . C60 C 0.4411(15) -0.0384(13) 0.1245(10) 0.044(4) Uani 1 1 d . . . H60A H 0.4815 0.0097 0.1594 0.065 Uiso 1 1 calc R . . H60B H 0.4849 -0.0598 0.1017 0.065 Uiso 1 1 calc R . . H60C H 0.4013 -0.0797 0.1498 0.065 Uiso 1 1 calc R . . C61 C 0.0276(11) 0.2460(10) 0.0334(8) 0.027(3) Uani 1 1 d . . . C62 C -0.0410(12) 0.1793(12) -0.0156(9) 0.036(4) Uani 1 1 d . . . C63 C -0.1270(14) 0.1901(14) -0.0503(11) 0.049(5) Uani 1 1 d . . . H63 H -0.1755 0.1471 -0.0838 0.059 Uiso 1 1 calc R . . C64 C -0.1435(14) 0.2605(15) -0.0376(12) 0.055(6) Uani 1 1 d . . . H64 H -0.2037 0.2650 -0.0623 0.065 Uiso 1 1 calc R . . C65 C -0.0761(15) 0.3258(14) 0.0101(12) 0.050(5) Uani 1 1 d . . . C66 C 0.0118(13) 0.3175(11) 0.0467(10) 0.036(4) Uani 1 1 d . . . H66 H 0.0597 0.3608 0.0803 0.044 Uiso 1 1 calc R . . C67 C -0.0255(15) 0.0999(13) -0.0295(12) 0.053(5) Uani 1 1 d . . . H67A H 0.0403 0.1097 -0.0412 0.079 Uiso 1 1 calc R . . H67B H -0.0770 0.0655 -0.0704 0.079 Uiso 1 1 calc R . . H67C H -0.0297 0.0729 0.0139 0.079 Uiso 1 1 calc R . . C68 C -0.094(2) 0.4039(18) 0.0222(19) 0.080(9) Uani 1 1 d . . . H68A H -0.0354 0.4441 0.0541 0.120 Uiso 1 1 calc R . . H68B H -0.1520 0.3952 0.0450 0.120 Uiso 1 1 calc R . . H68C H -0.1071 0.4233 -0.0244 0.120 Uiso 1 1 calc R . . C69 C 0.2544(11) 0.2800(9) 0.5456(8) 0.026(3) Uani 1 1 d . . . C70 C 0.1634(13) 0.2317(10) 0.5600(9) 0.032(3) Uani 1 1 d . . . C71 C 0.1476(14) 0.2472(11) 0.6296(9) 0.038(4) Uani 1 1 d . . . H71 H 0.0866 0.2161 0.6415 0.046 Uiso 1 1 calc R . . C72 C 0.2180(14) 0.3065(12) 0.6818(9) 0.038(4) Uani 1 1 d . . . H72 H 0.2044 0.3149 0.7287 0.046 Uiso 1 1 calc R . . C73 C 0.3072(14) 0.3537(12) 0.6672(9) 0.040(4) Uani 1 1 d . . . C74 C 0.3248(13) 0.3393(11) 0.5977(9) 0.036(4) Uani 1 1 d . . . H74 H 0.3859 0.3706 0.5862 0.044 Uiso 1 1 calc R . . C75 C 0.0844(17) 0.1664(14) 0.5044(12) 0.061(7) Uani 1 1 d . . . H75A H 0.1123 0.1264 0.4880 0.092 Uiso 1 1 calc R . . H75B H 0.0622 0.1907 0.4628 0.092 Uiso 1 1 calc R . . H75C H 0.0277 0.1399 0.5263 0.092 Uiso 1 1 calc R . . C76 C 0.3836(19) 0.4187(17) 0.7242(11) 0.067(7) Uani 1 1 d . . . H76A H 0.4282 0.4586 0.7005 0.101 Uiso 1 1 calc R . . H76B H 0.4224 0.3941 0.7564 0.101 Uiso 1 1 calc R . . H76C H 0.3497 0.4454 0.7526 0.101 Uiso 1 1 calc R . . C77 C 0.961(3) 0.597(2) 0.1739(18) 0.092(10) Uani 1 1 d . . . C78 C 0.896(4) 0.524(2) 0.1878(18) 0.106(13) Uani 1 1 d . . . H78 H 0.8266 0.5140 0.1843 0.128 Uiso 1 1 calc R . . C79 C 0.940(3) 0.465(3) 0.207(2) 0.108(13) Uani 1 1 d . . . H79 H 0.8978 0.4137 0.2158 0.130 Uiso 1 1 calc R . . C80 C 1.040(3) 0.479(3) 0.215(2) 0.104(12) Uani 1 1 d . . . H80 H 1.0669 0.4390 0.2280 0.125 Uiso 1 1 calc R . . C81 C 1.100(3) 0.552(2) 0.203(2) 0.099(11) Uani 1 1 d . . . H81 H 1.1699 0.5630 0.2102 0.118 Uiso 1 1 calc R . . C82 C 1.061(3) 0.610(3) 0.1815(19) 0.097(10) Uani 1 1 d . . . H82 H 1.1037 0.6599 0.1717 0.116 Uiso 1 1 calc R . . C83 C 0.925(4) 0.663(3) 0.152(2) 0.119(16) Uani 1 1 d . . . H83A H 0.8522 0.6429 0.1420 0.179 Uiso 1 1 calc R . . H83B H 0.9486 0.6809 0.1083 0.179 Uiso 1 1 calc R . . H83C H 0.9508 0.7084 0.1914 0.179 Uiso 1 1 calc R . . C84 C 0.003(3) 0.522(4) 0.571(3) 0.14(3) Uani 1 1 d . . . H84 H 0.0055 0.5359 0.6212 0.168 Uiso 1 1 calc R . . C85 C 0.033(3) 0.457(4) 0.550(3) 0.15(2) Uani 1 1 d D . . C86 C 0.030(3) 0.437(4) 0.478(3) 0.17(4) Uani 1 1 d D . . H86 H 0.0498 0.3935 0.4626 0.203 Uiso 1 1 calc R . . C87 C 0.066(6) 0.414(5) 0.604(6) 0.15(5) Uani 0.50 1 d PD . . H87A H 0.0100 0.3867 0.6271 0.223 Uiso 0.50 1 calc PR . . H87B H 0.1202 0.4520 0.6413 0.223 Uiso 0.50 1 calc PR . . H87C H 0.0886 0.3739 0.5819 0.223 Uiso 0.50 1 calc PR . . 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 Sn1 0.0142(4) 0.0136(4) 0.0150(4) 0.0004(3) 0.0030(3) 0.0033(3) Sn2 0.0146(4) 0.0168(4) 0.0126(4) 0.0010(3) 0.0009(3) 0.0044(3) Sn3 0.0138(4) 0.0158(4) 0.0137(4) 0.0014(3) 0.0021(3) 0.0010(3) S1 0.0165(14) 0.0193(14) 0.0149(14) 0.0012(11) 0.0049(11) 0.0047(12) S2 0.0248(16) 0.0162(14) 0.0181(15) -0.0005(11) 0.0046(12) 0.0052(12) S3 0.0167(14) 0.0221(15) 0.0156(14) 0.0030(12) 0.0011(11) 0.0026(12) S4 0.0305(19) 0.0332(19) 0.0156(15) 0.0018(13) 0.0089(13) 0.0075(15) O1 0.016(4) 0.018(4) 0.015(4) -0.002(3) 0.001(3) 0.003(3) O2 0.022(5) 0.021(5) 0.020(4) 0.006(4) 0.008(4) 0.009(4) O3 0.016(4) 0.018(4) 0.018(4) 0.001(3) 0.006(3) 0.003(3) O4 0.022(5) 0.020(5) 0.021(5) 0.005(4) -0.003(4) 0.004(4) O5 0.022(5) 0.018(4) 0.019(4) -0.002(4) 0.002(4) 0.003(4) O6 0.023(5) 0.020(5) 0.022(5) -0.003(4) 0.001(4) 0.007(4) O7 0.019(5) 0.026(5) 0.026(5) 0.000(4) 0.005(4) 0.001(4) O8 0.019(5) 0.023(5) 0.017(4) 0.004(4) -0.001(4) 0.001(4) O9 0.019(4) 0.025(5) 0.017(4) 0.004(4) 0.005(4) 0.010(4) O10 0.028(5) 0.034(6) 0.025(5) 0.001(4) 0.010(4) 0.006(5) O11 0.037(6) 0.037(6) 0.019(5) 0.007(4) 0.009(4) 0.012(5) O12 0.039(6) 0.021(5) 0.030(5) 0.006(4) 0.011(5) 0.010(4) O13 0.060(8) 0.040(7) 0.023(5) 0.005(5) 0.016(5) 0.024(6) O14 0.033(6) 0.059(8) 0.024(6) 0.001(5) 0.014(5) 0.002(6) O15 0.017(4) 0.020(4) 0.015(4) 0.004(3) 0.002(3) 0.003(4) O16 0.015(4) 0.015(4) 0.014(4) 0.002(3) 0.003(3) 0.004(3) C1 0.027(7) 0.017(6) 0.036(8) 0.004(6) 0.017(6) 0.007(5) C2 0.039(9) 0.025(7) 0.045(9) 0.012(7) 0.026(8) 0.014(7) C3 0.079(15) 0.027(9) 0.058(12) 0.016(8) 0.046(12) 0.018(9) C4 0.086(16) 0.028(9) 0.062(13) 0.008(9) 0.047(13) 0.014(10) C5 0.086(16) 0.024(8) 0.057(12) 0.000(8) 0.048(12) 0.010(9) C6 0.046(10) 0.019(7) 0.044(9) -0.001(6) 0.029(8) 0.004(7) C7 0.030(8) 0.028(7) 0.032(8) 0.016(6) 0.011(6) 0.011(6) C8 0.044(10) 0.030(8) 0.036(9) 0.008(7) 0.024(8) 0.007(7) C9 0.050(12) 0.058(13) 0.070(15) 0.034(12) -0.001(11) 0.021(10) C10 0.037(9) 0.021(7) 0.033(8) -0.007(6) 0.019(7) 0.002(6) C11 0.039(10) 0.041(10) 0.043(10) -0.017(8) 0.012(8) -0.005(8) C12 0.045(10) 0.038(9) 0.045(10) 0.004(8) 0.027(8) 0.013(8) C13 0.12(2) 0.039(11) 0.061(15) 0.010(10) 0.051(16) 0.015(13) C14 0.09(2) 0.027(10) 0.083(18) -0.004(10) 0.041(16) 0.003(11) C14' 0.31(7) 0.053(16) 0.054(16) 0.016(13) 0.02(3) 0.09(3) C15 0.019(7) 0.034(8) 0.022(7) 0.008(6) -0.001(5) 0.007(6) C16 0.023(7) 0.041(9) 0.030(8) 0.012(7) -0.004(6) 0.002(7) C17 0.033(10) 0.077(16) 0.079(17) 0.050(14) -0.031(11) -0.018(10) C18 0.043(13) 0.11(2) 0.13(3) 0.09(2) -0.050(15) -0.023(14) C19 0.041(12) 0.078(17) 0.10(2) 0.069(16) -0.026(12) -0.008(11) C20 0.025(8) 0.044(10) 0.041(9) 0.023(8) -0.004(7) 0.005(7) C21 0.019(6) 0.028(7) 0.020(6) -0.001(5) 0.000(5) 0.003(5) C22 0.021(7) 0.059(12) 0.037(9) 0.011(8) 0.005(7) 0.008(7) C23 0.049(12) 0.057(13) 0.045(11) -0.026(10) -0.008(9) 0.014(10) C24 0.07(2) 0.15(3) 0.22(5) 0.14(4) -0.09(3) -0.05(2) C25 0.052(19) 0.47(11) 0.07(2) 0.11(4) -0.001(17) 0.08(4) C26 0.14(4) 0.11(3) 0.18(4) -0.03(3) -0.11(3) 0.08(3) C27 0.031(8) 0.029(8) 0.034(8) 0.014(6) -0.002(6) 0.011(6) C28 0.038(9) 0.051(11) 0.044(10) 0.025(9) 0.005(8) 0.017(8) C29 0.079(16) 0.062(14) 0.048(12) 0.005(10) -0.002(11) 0.049(13) C30 0.016(6) 0.026(7) 0.017(6) 0.002(5) 0.003(5) -0.003(5) C31 0.024(7) 0.029(7) 0.021(7) 0.007(6) 0.002(5) -0.002(6) C32 0.029(8) 0.044(10) 0.035(9) 0.020(8) 0.007(7) -0.005(7) C33 0.020(8) 0.070(13) 0.035(9) 0.022(9) 0.008(7) -0.001(8) C34 0.020(7) 0.058(11) 0.030(8) 0.011(8) 0.009(6) 0.007(7) C35 0.017(6) 0.037(8) 0.020(7) 0.003(6) 0.002(5) 0.002(6) C36 0.030(8) 0.024(7) 0.033(8) 0.011(6) 0.007(6) 0.000(6) C37 0.040(10) 0.045(10) 0.045(10) 0.021(8) 0.005(8) 0.008(8) C38 0.060(13) 0.032(9) 0.052(12) 0.001(8) 0.013(10) 0.000(9) C39 0.033(11) 0.13(3) 0.067(16) 0.045(17) 0.023(11) -0.002(13) C40 0.06(2) 0.23(5) 0.11(3) -0.07(3) 0.06(2) -0.09(3) C41 0.10(3) 0.19(4) 0.09(2) 0.01(3) 0.08(2) -0.02(3) C42 0.017(7) 0.037(8) 0.034(8) 0.004(6) 0.006(6) 0.008(6) C43 0.025(8) 0.057(11) 0.040(9) 0.017(8) 0.004(7) 0.011(8) C44 0.035(10) 0.051(11) 0.054(12) -0.008(9) 0.011(8) 0.018(9) C45 0.024(7) 0.022(6) 0.016(6) 0.002(5) 0.007(5) 0.005(5) C46 0.025(7) 0.024(7) 0.021(7) 0.005(5) 0.006(5) 0.005(6) C47 0.037(9) 0.031(8) 0.018(7) 0.005(6) 0.004(6) 0.001(7) C48 0.057(11) 0.038(9) 0.019(7) -0.003(6) 0.010(7) 0.009(8) C49 0.057(12) 0.049(11) 0.028(8) -0.003(7) 0.016(8) 0.027(9) C50 0.039(9) 0.040(9) 0.025(7) 0.000(6) 0.009(6) 0.020(7) C51 0.047(11) 0.059(12) 0.024(8) 0.009(8) -0.003(7) 0.007(9) C52 0.053(12) 0.089(17) 0.038(10) -0.002(10) 0.008(9) 0.052(12) C53 0.029(7) 0.019(6) 0.020(6) -0.004(5) 0.006(5) 0.002(5) C54 0.036(8) 0.027(7) 0.022(7) -0.002(6) 0.005(6) 0.008(6) C55 0.044(10) 0.037(9) 0.022(7) -0.001(6) 0.007(7) 0.008(7) C56 0.043(10) 0.047(10) 0.025(8) -0.007(7) 0.013(7) 0.006(8) C57 0.038(9) 0.042(10) 0.035(9) -0.007(7) 0.015(7) 0.012(8) C58 0.031(8) 0.031(8) 0.029(8) -0.003(6) 0.009(6) 0.008(6) C59 0.071(15) 0.071(14) 0.021(8) 0.003(9) 0.005(9) 0.030(12) C60 0.044(10) 0.059(12) 0.038(10) 0.001(8) 0.012(8) 0.030(9) C61 0.018(7) 0.038(8) 0.020(7) 0.013(6) 0.000(5) 0.005(6) C62 0.024(8) 0.050(10) 0.024(7) 0.009(7) 0.000(6) 0.000(7) C63 0.025(8) 0.066(13) 0.038(10) 0.016(9) -0.010(7) -0.001(9) C64 0.026(9) 0.080(16) 0.053(12) 0.031(11) -0.005(8) 0.016(10) C65 0.042(11) 0.058(12) 0.060(13) 0.028(10) 0.006(9) 0.027(10) C66 0.029(8) 0.042(9) 0.040(9) 0.014(7) 0.003(7) 0.013(7) C67 0.037(10) 0.047(11) 0.052(12) -0.017(9) -0.005(9) -0.002(9) C68 0.070(17) 0.081(19) 0.11(2) 0.032(17) 0.008(16) 0.053(16) C69 0.030(8) 0.030(7) 0.017(6) 0.002(5) 0.009(6) 0.008(6) C70 0.036(9) 0.031(8) 0.025(7) 0.003(6) 0.012(6) 0.003(7) C71 0.042(10) 0.043(10) 0.029(8) 0.007(7) 0.019(7) 0.006(8) C72 0.049(10) 0.050(10) 0.020(7) 0.005(7) 0.016(7) 0.019(8) C73 0.042(10) 0.048(10) 0.021(7) -0.005(7) 0.006(7) 0.007(8) C74 0.032(8) 0.046(10) 0.022(7) -0.002(7) 0.009(6) 0.000(7) C75 0.053(13) 0.058(13) 0.042(11) -0.010(9) 0.021(10) -0.022(10) C76 0.061(14) 0.084(17) 0.027(9) -0.018(10) 0.005(9) -0.005(13) C77 0.11(3) 0.11(3) 0.07(2) 0.020(18) 0.039(19) 0.05(2) C78 0.15(4) 0.09(2) 0.07(2) 0.030(18) 0.05(2) 0.02(2) C79 0.09(2) 0.14(3) 0.12(3) 0.07(3) 0.04(2) 0.05(2) C80 0.08(2) 0.14(3) 0.10(3) 0.04(2) 0.03(2) 0.04(2) C81 0.09(2) 0.11(3) 0.09(2) 0.03(2) 0.017(19) 0.02(2) C82 0.09(2) 0.11(3) 0.08(2) 0.02(2) 0.024(19) 0.03(2) C83 0.21(5) 0.12(3) 0.09(2) 0.05(2) 0.08(3) 0.11(3) C84 0.06(2) 0.19(6) 0.11(3) -0.09(4) 0.04(2) -0.04(3) C85 0.046(19) 0.17(5) 0.16(5) -0.05(4) 0.04(2) -0.05(2) C86 0.06(3) 0.19(6) 0.18(5) -0.11(5) 0.07(3) -0.05(3) C87 0.05(4) 0.07(5) 0.29(15) -0.01(6) -0.02(6) 0.01(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 Sn1 O16 2.045(9) . ? Sn1 O3 2.092(9) . ? Sn1 O1 2.118(9) . ? Sn1 C1 2.139(14) . ? Sn1 O2 2.208(9) . ? Sn1 O4 2.223(9) . ? Sn1 Sn3 3.2664(12) . ? Sn1 Sn2 3.2796(12) . ? Sn2 O16 2.094(9) . ? Sn2 O15 2.099(9) . ? Sn2 O1 2.124(9) . ? Sn2 C15 2.152(14) . ? Sn2 O6 2.156(9) . ? Sn2 O9 2.168(9) . ? Sn2 Sn3 3.2962(12) . ? Sn3 O15 2.077(9) . ? Sn3 O16 2.088(9) . ? Sn3 O3 2.118(9) . ? Sn3 O8 2.156(9) . ? Sn3 C30 2.162(13) . ? Sn3 O5 2.204(10) . ? S1 O7 1.429(10) . ? S1 O2 1.479(10) . ? S1 O9 1.492(10) . ? S1 C45 1.767(14) . ? S2 O12 1.432(11) . ? S2 O5 1.486(10) . ? S2 O6 1.491(10) . ? S2 C53 1.766(14) . ? S3 O10 1.429(11) . ? S3 O4 1.482(10) . ? S3 O8 1.492(10) . ? S3 C61 1.758(14) . ? S4 O14 1.448(13) . ? S4 O11 1.464(12) . ? S4 O13 1.465(13) . ? S4 C69 1.772(14) . ? O1 H1 0.9500 . ? O3 H3 0.9500 . ? O15 H15 0.9500 . ? C1 C2 1.41(2) . ? C1 C6 1.41(2) . ? C2 C3 1.40(2) . ? C2 C7 1.52(2) . ? C3 C4 1.40(3) . ? C3 H3C 0.9500 . ? C4 C5 1.37(3) . ? C4 C13 1.55(3) . ? C5 C6 1.40(2) . ? C5 H5 0.9500 . ? C6 C10 1.51(2) . ? C7 C9 1.52(2) . ? C7 C8 1.53(2) . ? C7 H7 1.0000 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 C12 1.53(2) . ? C10 C11 1.53(3) . ? C10 H10 1.0000 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 C14 1.51(4) . ? C13 C14' 1.53(5) . ? C13 H13 1.0000 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C14' H14D 0.9800 . ? C14' H14E 0.9800 . ? C14' H14F 0.9800 . ? C15 C20 1.41(2) . ? C15 C16 1.41(2) . ? C16 C17 1.39(2) . ? C16 C21 1.51(2) . ? C17 C18 1.38(3) . ? C17 H17 0.9500 . ? C18 C19 1.38(3) . ? C18 C24 1.53(3) . ? C19 C20 1.39(2) . ? C19 H19 0.9500 . ? C20 C27 1.51(2) . ? C21 C22 1.52(2) . ? C21 C23 1.53(2) . ? C21 H21 1.0000 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 C25 1.49(8) . ? C24 C26 1.51(8) . ? C24 H24 1.0000 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C27 C29 1.52(3) . ? C27 C28 1.54(2) . ? C27 H27 1.0000 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 C31 1.41(2) . ? C30 C35 1.42(2) . ? C31 C32 1.40(2) . ? C31 C36 1.52(2) . ? C32 C33 1.39(3) . ? C32 H32 0.9500 . ? C33 C34 1.37(3) . ? C33 C39 1.513(18) . ? C34 C35 1.40(2) . ? C34 H34 0.9500 . ? C35 C42 1.51(2) . ? C36 C38 1.53(2) . ? C36 C37 1.53(2) . ? C36 H36 1.0000 . ? C37 H37A 0.9800 . ? C37 H37B 0.9800 . ? C37 H37C 0.9800 . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 C41 1.471(18) . ? C39 C40 1.491(18) . ? C39 H39 1.0000 . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? C40 H40C 0.9800 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? C42 C43 1.52(2) . ? C42 C44 1.54(2) . ? C42 H42 1.0000 . ? C43 H43A 0.9800 . ? C43 H43B 0.9800 . ? C43 H43C 0.9800 . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? C45 C46 1.38(2) . ? C45 C50 1.41(2) . ? C46 C47 1.40(2) . ? C46 H46 0.9500 . ? C47 C48 1.38(3) . ? C47 C51 1.51(2) . ? C48 C49 1.38(3) . ? C48 H48 0.9500 . ? C49 C50 1.39(2) . ? C49 H49 0.9500 . ? C50 C52 1.51(2) . ? C51 H51A 0.9800 . ? C51 H51B 0.9800 . ? C51 H51C 0.9800 . ? C52 H52A 0.9800 . ? C52 H52B 0.9800 . ? C52 H52C 0.9800 . ? C53 C54 1.39(2) . ? C53 C58 1.41(2) . ? C54 C55 1.40(2) . ? C54 H54 0.9500 . ? C55 C56 1.38(3) . ? C55 C59 1.51(3) . ? C56 C57 1.38(3) . ? C56 H56 0.9500 . ? C57 C58 1.40(2) . ? C57 H57 0.9500 . ? C58 C60 1.51(3) . ? C59 H59A 0.9800 . ? C59 H59B 0.9800 . ? C59 H59C 0.9800 . ? C60 H60A 0.9800 . ? C60 H60B 0.9800 . ? C60 H60C 0.9800 . ? C61 C66 1.37(2) . ? C61 C62 1.41(2) . ? C62 C63 1.39(3) . ? C62 C67 1.51(3) . ? C63 C64 1.36(3) . ? C63 H63 0.9500 . ? C64 C65 1.38(3) . ? C64 H64 0.9500 . ? C65 C66 1.40(2) . ? C65 C68 1.50(3) . ? C66 H66 0.9500 . ? C67 H67A 0.9800 . ? C67 H67B 0.9800 . ? C67 H67C 0.9800 . ? C68 H68A 0.9800 . ? C68 H68B 0.9800 . ? C68 H68C 0.9800 . ? C69 C74 1.38(2) . ? C69 C70 1.40(2) . ? C70 C71 1.39(2) . ? C70 C75 1.51(2) . ? C71 C72 1.39(3) . ? C71 H71 0.9500 . ? C72 C73 1.38(3) . ? C72 H72 0.9500 . ? C73 C74 1.40(2) . ? C73 C76 1.51(3) . ? C74 H74 0.9500 . ? C75 H75A 0.9800 . ? C75 H75B 0.9800 . ? C75 H75C 0.9800 . ? C76 H76A 0.9800 . ? C76 H76B 0.9800 . ? C76 H76C 0.9800 . ? C77 C82 1.36(5) . ? C77 C78 1.41(5) . ? C77 C83 1.49(5) . ? C78 C79 1.43(5) . ? C78 H78 0.9500 . ? C79 C80 1.38(5) . ? C79 H79 0.9500 . ? C80 C81 1.34(5) . ? C80 H80 0.9500 . ? C81 C82 1.39(5) . ? C81 H81 0.9500 . ? C82 H82 0.9500 . ? C83 H83A 0.9800 . ? C83 H83B 0.9800 . ? C83 H83C 0.9800 . ? C84 C86 1.34(9) 2_566 ? C84 C85 1.40(8) . ? C84 H84 0.9500 . ? C85 C86 1.37(4) . ? C85 C87 1.43(5) . ? C86 C84 1.34(9) 2_566 ? C86 H86 0.9500 . ? C87 H87A 0.9800 . ? C87 H87B 0.9800 . ? C87 H87C 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 O16 Sn1 O3 77.2(4) . . ? O16 Sn1 O1 77.1(3) . . ? O3 Sn1 O1 91.5(4) . . ? O16 Sn1 C1 170.0(5) . . ? O3 Sn1 C1 111.9(5) . . ? O1 Sn1 C1 106.1(5) . . ? O16 Sn1 O2 79.5(3) . . ? O3 Sn1 O2 156.4(4) . . ? O1 Sn1 O2 86.7(4) . . ? C1 Sn1 O2 91.1(4) . . ? O16 Sn1 O4 83.1(4) . . ? O3 Sn1 O4 81.6(4) . . ? O1 Sn1 O4 160.1(4) . . ? C1 Sn1 O4 93.9(5) . . ? O2 Sn1 O4 92.3(4) . . ? O16 Sn1 Sn3 38.2(2) . . ? O3 Sn1 Sn3 39.4(3) . . ? O1 Sn1 Sn3 87.2(2) . . ? C1 Sn1 Sn3 149.9(4) . . ? O2 Sn1 Sn3 117.1(2) . . ? O4 Sn1 Sn3 75.5(2) . . ? O16 Sn1 Sn2 38.1(2) . . ? O3 Sn1 Sn2 86.9(3) . . ? O1 Sn1 Sn2 39.4(2) . . ? C1 Sn1 Sn2 143.0(4) . . ? O2 Sn1 Sn2 76.9(2) . . ? O4 Sn1 Sn2 121.1(3) . . ? Sn3 Sn1 Sn2 60.47(3) . . ? O16 Sn2 O15 75.5(3) . . ? O16 Sn2 O1 76.0(3) . . ? O15 Sn2 O1 94.8(4) . . ? O16 Sn2 C15 176.6(5) . . ? O15 Sn2 C15 106.0(5) . . ? O1 Sn2 C15 100.7(5) . . ? O16 Sn2 O6 83.0(4) . . ? O15 Sn2 O6 84.9(4) . . ? O1 Sn2 O6 158.3(4) . . ? C15 Sn2 O6 100.2(5) . . ? O16 Sn2 O9 82.3(3) . . ? O15 Sn2 O9 155.2(4) . . ? O1 Sn2 O9 90.1(4) . . ? C15 Sn2 O9 96.9(5) . . ? O6 Sn2 O9 81.7(4) . . ? O16 Sn2 Sn1 37.1(2) . . ? O15 Sn2 Sn1 87.7(3) . . ? O1 Sn2 Sn1 39.3(2) . . ? C15 Sn2 Sn1 139.5(4) . . ? O6 Sn2 Sn1 119.1(3) . . ? O9 Sn2 Sn1 80.8(2) . . ? O16 Sn2 Sn3 37.9(2) . . ? O15 Sn2 Sn3 37.6(2) . . ? O1 Sn2 Sn3 86.4(2) . . ? C15 Sn2 Sn3 143.6(4) . . ? O6 Sn2 Sn3 80.2(3) . . ? O9 Sn2 Sn3 118.9(2) . . ? Sn1 Sn2 Sn3 59.57(3) . . ? O15 Sn3 O16 76.1(3) . . ? O15 Sn3 O3 94.7(4) . . ? O16 Sn3 O3 75.7(3) . . ? O15 Sn3 O8 157.0(4) . . ? O16 Sn3 O8 83.9(3) . . ? O3 Sn3 O8 91.0(4) . . ? O15 Sn3 C30 106.8(5) . . ? O16 Sn3 C30 175.8(5) . . ? O3 Sn3 C30 100.9(5) . . ? O8 Sn3 C30 93.9(4) . . ? O15 Sn3 O5 84.7(4) . . ? O16 Sn3 O5 79.1(3) . . ? O3 Sn3 O5 154.1(4) . . ? O8 Sn3 O5 80.6(4) . . ? C30 Sn3 O5 104.0(5) . . ? O15 Sn3 Sn1 88.4(3) . . ? O16 Sn3 Sn1 37.3(2) . . ? O3 Sn3 Sn1 38.8(2) . . ? O8 Sn3 Sn1 82.1(3) . . ? C30 Sn3 Sn1 139.0(4) . . ? O5 Sn3 Sn1 115.4(3) . . ? O15 Sn3 Sn2 38.1(3) . . ? O16 Sn3 Sn2 38.0(2) . . ? O3 Sn3 Sn2 86.0(2) . . ? O8 Sn3 Sn2 120.5(3) . . ? C30 Sn3 Sn2 145.0(4) . . ? O5 Sn3 Sn2 77.6(3) . . ? Sn1 Sn3 Sn2 59.96(3) . . ? O7 S1 O2 112.7(6) . . ? O7 S1 O9 112.8(6) . . ? O2 S1 O9 109.9(5) . . ? O7 S1 C45 108.0(6) . . ? O2 S1 C45 107.1(6) . . ? O9 S1 C45 105.9(6) . . ? O12 S2 O5 112.8(6) . . ? O12 S2 O6 112.4(6) . . ? O5 S2 O6 111.3(6) . . ? O12 S2 C53 108.8(7) . . ? O5 S2 C53 105.6(7) . . ? O6 S2 C53 105.4(6) . . ? O10 S3 O4 113.8(6) . . ? O10 S3 O8 113.1(6) . . ? O4 S3 O8 109.6(6) . . ? O10 S3 C61 109.3(7) . . ? O4 S3 C61 106.1(7) . . ? O8 S3 C61 104.3(6) . . ? O14 S4 O11 112.4(8) . . ? O14 S4 O13 112.3(8) . . ? O11 S4 O13 111.9(7) . . ? O14 S4 C69 109.0(7) . . ? O11 S4 C69 105.3(7) . . ? O13 S4 C69 105.4(7) . . ? Sn1 O1 Sn2 101.3(4) . . ? Sn1 O1 H1 129.4 . . ? Sn2 O1 H1 129.4 . . ? S1 O2 Sn1 137.9(6) . . ? Sn1 O3 Sn3 101.8(4) . . ? Sn1 O3 H3 129.1 . . ? Sn3 O3 H3 129.1 . . ? S3 O4 Sn1 131.4(6) . . ? S2 O5 Sn3 134.0(6) . . ? S2 O6 Sn2 133.3(6) . . ? S3 O8 Sn3 129.2(6) . . ? S1 O9 Sn2 134.0(6) . . ? Sn3 O15 Sn2 104.2(4) . . ? Sn3 O15 H15 127.9 . . ? Sn2 O15 H15 127.9 . . ? Sn1 O16 Sn3 104.4(4) . . ? Sn1 O16 Sn2 104.8(4) . . ? Sn3 O16 Sn2 104.0(4) . . ? C2 C1 C6 120.2(14) . . ? C2 C1 Sn1 122.4(11) . . ? C6 C1 Sn1 117.0(11) . . ? C3 C2 C1 116.8(16) . . ? C3 C2 C7 118.6(15) . . ? C1 C2 C7 124.6(14) . . ? C4 C3 C2 123.7(18) . . ? C4 C3 H3C 118.1 . . ? C2 C3 H3C 118.1 . . ? C5 C4 C3 117.9(17) . . ? C5 C4 C13 121.8(19) . . ? C3 C4 C13 120.3(18) . . ? C4 C5 C6 121.3(18) . . ? C4 C5 H5 119.3 . . ? C6 C5 H5 119.3 . . ? C5 C6 C1 119.8(16) . . ? C5 C6 C10 115.7(15) . . ? C1 C6 C10 124.5(13) . . ? C2 C7 C9 109.8(16) . . ? C2 C7 C8 112.0(14) . . ? C9 C7 C8 110.5(15) . . ? C2 C7 H7 108.1 . . ? C9 C7 H7 108.1 . . ? C8 C7 H7 108.1 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C6 C10 C12 112.0(16) . . ? C6 C10 C11 111.7(14) . . ? C12 C10 C11 111.5(14) . . ? C6 C10 H10 107.1 . . ? C12 C10 H10 107.1 . . ? C11 C10 H10 107.1 . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C14 C13 C14' 113(2) . . ? C14 C13 C4 114(2) . . ? C14' C13 C4 107(3) . . ? C14 C13 H13 107.6 . . ? C14' C13 H13 107.6 . . ? C4 C13 H13 107.6 . . ? C13 C14 H14A 109.5 . . ? C13 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C13 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C13 C14' H14D 109.5 . . ? C13 C14' H14E 109.5 . . ? H14D C14' H14E 109.5 . . ? C13 C14' H14F 109.5 . . ? H14D C14' H14F 109.5 . . ? H14E C14' H14F 109.5 . . ? C20 C15 C16 119.8(14) . . ? C20 C15 Sn2 120.1(11) . . ? C16 C15 Sn2 119.9(11) . . ? C17 C16 C15 118.6(16) . . ? C17 C16 C21 115.5(15) . . ? C15 C16 C21 125.9(13) . . ? C18 C17 C16 122.7(19) . . ? C18 C17 H17 118.7 . . ? C16 C17 H17 118.7 . . ? C19 C18 C17 117.5(19) . . ? C19 C18 C24 121(2) . . ? C17 C18 C24 122(2) . . ? C18 C19 C20 123.2(19) . . ? C18 C19 H19 118.4 . . ? C20 C19 H19 118.4 . . ? C19 C20 C15 118.1(16) . . ? C19 C20 C27 116.1(16) . . ? C15 C20 C27 125.7(14) . . ? C16 C21 C22 110.2(14) . . ? C16 C21 C23 112.0(15) . . ? C22 C21 C23 110.6(15) . . ? C16 C21 H21 108.0 . . ? C22 C21 H21 108.0 . . ? C23 C21 H21 108.0 . . ? C21 C22 H22A 109.5 . . ? C21 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C21 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C21 C23 H23A 109.5 . . ? C21 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C21 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C25 C24 C26 110(3) . . ? C25 C24 C18 114(4) . . ? C26 C24 C18 108(4) . . ? C25 C24 H24 108.3 . . ? C26 C24 H24 108.3 . . ? C18 C24 H24 108.3 . . ? C24 C25 H25A 109.5 . . ? C24 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? C24 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C24 C26 H26A 109.5 . . ? C24 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C24 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C20 C27 C29 111.2(17) . . ? C20 C27 C28 110.3(15) . . ? C29 C27 C28 111.1(16) . . ? C20 C27 H27 108.0 . . ? C29 C27 H27 108.0 . . ? C28 C27 H27 108.0 . . ? C27 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C27 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C27 C29 H29A 109.5 . . ? C27 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C27 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C31 C30 C35 120.1(13) . . ? C31 C30 Sn3 120.0(11) . . ? C35 C30 Sn3 119.8(10) . . ? C32 C31 C30 118.8(16) . . ? C32 C31 C36 116.5(14) . . ? C30 C31 C36 124.7(13) . . ? C33 C32 C31 122.2(16) . . ? C33 C32 H32 118.9 . . ? C31 C32 H32 118.9 . . ? C34 C33 C32 117.8(14) . . ? C34 C33 C39 115.1(19) . . ? C32 C33 C39 127.1(19) . . ? C33 C34 C35 123.3(17) . . ? C33 C34 H34 118.4 . . ? C35 C34 H34 118.4 . . ? C34 C35 C30 117.9(15) . . ? C34 C35 C42 115.9(15) . . ? C30 C35 C42 126.3(13) . . ? C31 C36 C38 111.1(15) . . ? C31 C36 C37 111.6(15) . . ? C38 C36 C37 110.9(15) . . ? C31 C36 H36 107.7 . . ? C38 C36 H36 107.7 . . ? C37 C36 H36 107.7 . . ? C36 C37 H37A 109.5 . . ? C36 C37 H37B 109.5 . . ? H37A C37 H37B 109.5 . . ? C36 C37 H37C 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? C36 C38 H38A 109.5 . . ? C36 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C36 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C41 C39 C40 117.8(17) . . ? C41 C39 C33 111.6(18) . . ? C40 C39 C33 111.5(16) . . ? C41 C39 H39 104.9 . . ? C40 C39 H39 104.9 . . ? C33 C39 H39 104.9 . . ? C39 C40 H40A 109.5 . . ? C39 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C39 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C39 C41 H41A 109.5 . . ? C39 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C39 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C35 C42 C43 110.6(14) . . ? C35 C42 C44 110.3(15) . . ? C43 C42 C44 110.9(15) . . ? C35 C42 H42 108.3 . . ? C43 C42 H42 108.3 . . ? C44 C42 H42 108.3 . . ? C42 C43 H43A 109.5 . . ? C42 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? C42 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C42 C44 H44A 109.5 . . ? C42 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? C42 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C46 C45 C50 122.3(13) . . ? C46 C45 S1 118.5(11) . . ? C50 C45 S1 119.1(11) . . ? C45 C46 C47 120.3(14) . . ? C45 C46 H46 119.8 . . ? C47 C46 H46 119.8 . . ? C48 C47 C46 117.8(15) . . ? C48 C47 C51 122.4(15) . . ? C46 C47 C51 119.8(16) . . ? C47 C48 C49 121.6(15) . . ? C47 C48 H48 119.2 . . ? C49 C48 H48 119.2 . . ? C48 C49 C50 121.8(16) . . ? C48 C49 H49 119.1 . . ? C50 C49 H49 119.1 . . ? C49 C50 C45 116.1(15) . . ? C49 C50 C52 119.8(15) . . ? C45 C50 C52 124.1(14) . . ? C47 C51 H51A 109.5 . . ? C47 C51 H51B 109.5 . . ? H51A C51 H51B 109.5 . . ? C47 C51 H51C 109.5 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? C50 C52 H52A 109.5 . . ? C50 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? C50 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? C54 C53 C58 122.4(14) . . ? C54 C53 S2 118.5(12) . . ? C58 C53 S2 119.0(12) . . ? C53 C54 C55 120.5(15) . . ? C53 C54 H54 119.8 . . ? C55 C54 H54 119.8 . . ? C56 C55 C54 117.6(16) . . ? C56 C55 C59 122.1(16) . . ? C54 C55 C59 120.3(17) . . ? C57 C56 C55 121.6(15) . . ? C57 C56 H56 119.2 . . ? C55 C56 H56 119.2 . . ? C56 C57 C58 122.1(16) . . ? C56 C57 H57 119.0 . . ? C58 C57 H57 119.0 . . ? C57 C58 C53 115.8(16) . . ? C57 C58 C60 120.3(15) . . ? C53 C58 C60 124.0(14) . . ? C55 C59 H59A 109.5 . . ? C55 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? C55 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? C58 C60 H60A 109.5 . . ? C58 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C58 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C66 C61 C62 123.0(15) . . ? C66 C61 S3 118.6(12) . . ? C62 C61 S3 118.4(13) . . ? C63 C62 C61 115.8(18) . . ? C63 C62 C67 120.7(17) . . ? C61 C62 C67 123.5(15) . . ? C64 C63 C62 121.8(19) . . ? C64 C63 H63 119.1 . . ? C62 C63 H63 119.1 . . ? C63 C64 C65 122.3(17) . . ? C63 C64 H64 118.8 . . ? C65 C64 H64 118.8 . . ? C64 C65 C66 118(2) . . ? C64 C65 C68 122(2) . . ? C66 C65 C68 120(2) . . ? C61 C66 C65 119.3(18) . . ? C61 C66 H66 120.4 . . ? C65 C66 H66 120.4 . . ? C62 C67 H67A 109.5 . . ? C62 C67 H67B 109.5 . . ? H67A C67 H67B 109.5 . . ? C62 C67 H67C 109.5 . . ? H67A C67 H67C 109.5 . . ? H67B C67 H67C 109.5 . . ? C65 C68 H68A 109.5 . . ? C65 C68 H68B 109.5 . . ? H68A C68 H68B 109.5 . . ? C65 C68 H68C 109.5 . . ? H68A C68 H68C 109.5 . . ? H68B C68 H68C 109.5 . . ? C74 C69 C70 121.8(14) . . ? C74 C69 S4 118.8(12) . . ? C70 C69 S4 119.4(11) . . ? C71 C70 C69 116.2(15) . . ? C71 C70 C75 120.4(15) . . ? C69 C70 C75 123.4(14) . . ? C72 C71 C70 122.0(16) . . ? C72 C71 H71 119.0 . . ? C70 C71 H71 119.0 . . ? C73 C72 C71 121.4(15) . . ? C73 C72 H72 119.3 . . ? C71 C72 H72 119.3 . . ? C72 C73 C74 117.7(16) . . ? C72 C73 C76 121.2(16) . . ? C74 C73 C76 121.2(17) . . ? C69 C74 C73 120.9(16) . . ? C69 C74 H74 119.5 . . ? C73 C74 H74 119.5 . . ? C70 C75 H75A 109.5 . . ? C70 C75 H75B 109.5 . . ? H75A C75 H75B 109.5 . . ? C70 C75 H75C 109.5 . . ? H75A C75 H75C 109.5 . . ? H75B C75 H75C 109.5 . . ? C73 C76 H76A 109.5 . . ? C73 C76 H76B 109.5 . . ? H76A C76 H76B 109.5 . . ? C73 C76 H76C 109.5 . . ? H76A C76 H76C 109.5 . . ? H76B C76 H76C 109.5 . . ? C82 C77 C78 121(4) . . ? C82 C77 C83 118(4) . . ? C78 C77 C83 121(4) . . ? C77 C78 C79 115(4) . . ? C77 C78 H78 122.3 . . ? C79 C78 H78 122.3 . . ? C80 C79 C78 123(4) . . ? C80 C79 H79 118.7 . . ? C78 C79 H79 118.7 . . ? C81 C80 C79 119(4) . . ? C81 C80 H80 120.4 . . ? C79 C80 H80 120.4 . . ? C80 C81 C82 120(4) . . ? C80 C81 H81 119.8 . . ? C82 C81 H81 119.8 . . ? C77 C82 C81 121(4) . . ? C77 C82 H82 119.4 . . ? C81 C82 H82 119.4 . . ? C77 C83 H83A 109.5 . . ? C77 C83 H83B 109.5 . . ? H83A C83 H83B 109.5 . . ? C77 C83 H83C 109.5 . . ? H83A C83 H83C 109.5 . . ? H83B C83 H83C 109.5 . . ? C86 C84 C85 121(5) 2_566 . ? C86 C84 H84 119.3 2_566 . ? C85 C84 H84 119.3 . . ? C86 C85 C84 119(6) . . ? C86 C85 C87 122(9) . . ? C84 C85 C87 119(6) . . ? C84 C86 C85 120(7) 2_566 . ? C84 C86 H86 120.2 2_566 . ? C85 C86 H86 120.2 . . ? C85 C87 H87A 109.5 . . ? C85 C87 H87B 109.5 . . ? H87A C87 H87B 109.5 . . ? C85 C87 H87C 109.5 . . ? H87A C87 H87C 109.5 . . ? H87B C87 H87C 109.5 . . ? 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 O3 Sn1 Sn2 O16 73.1(5) . . . . ? O1 Sn1 Sn2 O16 169.2(5) . . . . ? C1 Sn1 Sn2 O16 -163.6(7) . . . . ? O2 Sn1 Sn2 O16 -89.7(5) . . . . ? O4 Sn1 Sn2 O16 -5.1(5) . . . . ? Sn3 Sn1 Sn2 O16 42.2(4) . . . . ? O16 Sn1 Sn2 O15 -68.7(5) . . . . ? O3 Sn1 Sn2 O15 4.4(3) . . . . ? O1 Sn1 Sn2 O15 100.5(5) . . . . ? C1 Sn1 Sn2 O15 127.7(7) . . . . ? O2 Sn1 Sn2 O15 -158.5(4) . . . . ? O4 Sn1 Sn2 O15 -73.8(4) . . . . ? Sn3 Sn1 Sn2 O15 -26.5(2) . . . . ? O16 Sn1 Sn2 O1 -169.2(5) . . . . ? O3 Sn1 Sn2 O1 -96.1(5) . . . . ? C1 Sn1 Sn2 O1 27.2(8) . . . . ? O2 Sn1 Sn2 O1 101.0(5) . . . . ? O4 Sn1 Sn2 O1 -174.3(5) . . . . ? Sn3 Sn1 Sn2 O1 -127.0(4) . . . . ? O16 Sn1 Sn2 C15 179.2(7) . . . . ? O3 Sn1 Sn2 C15 -107.7(7) . . . . ? O1 Sn1 Sn2 C15 -11.6(7) . . . . ? C1 Sn1 Sn2 C15 15.6(9) . . . . ? O2 Sn1 Sn2 C15 89.4(7) . . . . ? O4 Sn1 Sn2 C15 174.1(7) . . . . ? Sn3 Sn1 Sn2 C15 -138.6(6) . . . . ? O16 Sn1 Sn2 O6 14.2(5) . . . . ? O3 Sn1 Sn2 O6 87.3(4) . . . . ? O1 Sn1 Sn2 O6 -176.6(5) . . . . ? C1 Sn1 Sn2 O6 -149.4(7) . . . . ? O2 Sn1 Sn2 O6 -75.6(4) . . . . ? O4 Sn1 Sn2 O6 9.1(4) . . . . ? Sn3 Sn1 Sn2 O6 56.4(3) . . . . ? O16 Sn1 Sn2 O9 89.3(5) . . . . ? O3 Sn1 Sn2 O9 162.4(4) . . . . ? O1 Sn1 Sn2 O9 -101.5(5) . . . . ? C1 Sn1 Sn2 O9 -74.3(7) . . . . ? O2 Sn1 Sn2 O9 -0.5(4) . . . . ? O4 Sn1 Sn2 O9 84.2(4) . . . . ? Sn3 Sn1 Sn2 O9 131.5(3) . . . . ? O16 Sn1 Sn2 Sn3 -42.2(4) . . . . ? O3 Sn1 Sn2 Sn3 30.9(2) . . . . ? O1 Sn1 Sn2 Sn3 127.0(4) . . . . ? C1 Sn1 Sn2 Sn3 154.2(6) . . . . ? O2 Sn1 Sn2 Sn3 -132.0(3) . . . . ? O4 Sn1 Sn2 Sn3 -47.3(3) . . . . ? O16 Sn1 Sn3 O15 68.9(5) . . . . ? O3 Sn1 Sn3 O15 -99.5(5) . . . . ? O1 Sn1 Sn3 O15 -3.8(3) . . . . ? C1 Sn1 Sn3 O15 -121.7(9) . . . . ? O2 Sn1 Sn3 O15 81.1(4) . . . . ? O4 Sn1 Sn3 O15 166.2(4) . . . . ? Sn2 Sn1 Sn3 O15 26.8(3) . . . . ? O3 Sn1 Sn3 O16 -168.3(6) . . . . ? O1 Sn1 Sn3 O16 -72.6(5) . . . . ? C1 Sn1 Sn3 O16 169.4(9) . . . . ? O2 Sn1 Sn3 O16 12.3(5) . . . . ? O4 Sn1 Sn3 O16 97.3(5) . . . . ? Sn2 Sn1 Sn3 O16 -42.1(4) . . . . ? O16 Sn1 Sn3 O3 168.3(6) . . . . ? O1 Sn1 Sn3 O3 95.7(5) . . . . ? C1 Sn1 Sn3 O3 -22.3(10) . . . . ? O2 Sn1 Sn3 O3 -179.4(5) . . . . ? O4 Sn1 Sn3 O3 -94.4(5) . . . . ? Sn2 Sn1 Sn3 O3 126.2(4) . . . . ? O16 Sn1 Sn3 O8 -90.2(5) . . . . ? O3 Sn1 Sn3 O8 101.5(5) . . . . ? O1 Sn1 Sn3 O8 -162.8(4) . . . . ? C1 Sn1 Sn3 O8 79.2(9) . . . . ? O2 Sn1 Sn3 O8 -77.9(4) . . . . ? O4 Sn1 Sn3 O8 7.1(4) . . . . ? Sn2 Sn1 Sn3 O8 -132.3(3) . . . . ? O16 Sn1 Sn3 C30 -177.0(7) . . . . ? O3 Sn1 Sn3 C30 14.7(7) . . . . ? O1 Sn1 Sn3 C30 110.4(6) . . . . ? C1 Sn1 Sn3 C30 -7.6(10) . . . . ? O2 Sn1 Sn3 C30 -164.7(6) . . . . ? O4 Sn1 Sn3 C30 -79.7(6) . . . . ? Sn2 Sn1 Sn3 C30 140.9(5) . . . . ? O16 Sn1 Sn3 O5 -14.6(5) . . . . ? O3 Sn1 Sn3 O5 177.1(5) . . . . ? O1 Sn1 Sn3 O5 -87.2(4) . . . . ? C1 Sn1 Sn3 O5 154.9(9) . . . . ? O2 Sn1 Sn3 O5 -2.3(4) . . . . ? O4 Sn1 Sn3 O5 82.8(4) . . . . ? Sn2 Sn1 Sn3 O5 -56.7(3) . . . . ? O16 Sn1 Sn3 Sn2 42.1(4) . . . . ? O3 Sn1 Sn3 Sn2 -126.2(4) . . . . ? O1 Sn1 Sn3 Sn2 -30.5(2) . . . . ? C1 Sn1 Sn3 Sn2 -148.5(9) . . . . ? O2 Sn1 Sn3 Sn2 54.4(3) . . . . ? O4 Sn1 Sn3 Sn2 139.4(3) . . . . ? O16 Sn2 Sn3 O15 -174.5(6) . . . . ? O1 Sn2 Sn3 O15 -102.7(5) . . . . ? C15 Sn2 Sn3 O15 0.4(8) . . . . ? O6 Sn2 Sn3 O15 94.4(5) . . . . ? O9 Sn2 Sn3 O15 169.2(5) . . . . ? Sn1 Sn2 Sn3 O15 -133.2(4) . . . . ? O15 Sn2 Sn3 O16 174.5(6) . . . . ? O1 Sn2 Sn3 O16 71.7(5) . . . . ? C15 Sn2 Sn3 O16 174.9(8) . . . . ? O6 Sn2 Sn3 O16 -91.1(5) . . . . ? O9 Sn2 Sn3 O16 -16.3(5) . . . . ? Sn1 Sn2 Sn3 O16 41.3(4) . . . . ? O16 Sn2 Sn3 O3 -71.7(5) . . . . ? O15 Sn2 Sn3 O3 102.7(5) . . . . ? O1 Sn2 Sn3 O3 0.0(3) . . . . ? C15 Sn2 Sn3 O3 103.2(8) . . . . ? O6 Sn2 Sn3 O3 -162.9(4) . . . . ? O9 Sn2 Sn3 O3 -88.1(4) . . . . ? Sn1 Sn2 Sn3 O3 -30.5(2) . . . . ? O16 Sn2 Sn3 O8 17.0(5) . . . . ? O15 Sn2 Sn3 O8 -168.5(5) . . . . ? O1 Sn2 Sn3 O8 88.8(4) . . . . ? C15 Sn2 Sn3 O8 -168.0(8) . . . . ? O6 Sn2 Sn3 O8 -74.1(4) . . . . ? O9 Sn2 Sn3 O8 0.7(4) . . . . ? Sn1 Sn2 Sn3 O8 58.3(3) . . . . ? O16 Sn2 Sn3 C30 -175.2(8) . . . . ? O15 Sn2 Sn3 C30 -0.7(8) . . . . ? O1 Sn2 Sn3 C30 -103.4(7) . . . . ? C15 Sn2 Sn3 C30 -0.3(10) . . . . ? O6 Sn2 Sn3 C30 93.7(7) . . . . ? O9 Sn2 Sn3 C30 168.5(7) . . . . ? Sn1 Sn2 Sn3 C30 -133.9(7) . . . . ? O16 Sn2 Sn3 O5 88.1(5) . . . . ? O15 Sn2 Sn3 O5 -97.4(5) . . . . ? O1 Sn2 Sn3 O5 159.9(4) . . . . ? C15 Sn2 Sn3 O5 -97.0(8) . . . . ? O6 Sn2 Sn3 O5 -3.0(4) . . . . ? O9 Sn2 Sn3 O5 71.8(4) . . . . ? Sn1 Sn2 Sn3 O5 129.4(3) . . . . ? O16 Sn2 Sn3 Sn1 -41.3(4) . . . . ? O15 Sn2 Sn3 Sn1 133.2(4) . . . . ? O1 Sn2 Sn3 Sn1 30.5(2) . . . . ? C15 Sn2 Sn3 Sn1 133.6(7) . . . . ? O6 Sn2 Sn3 Sn1 -132.4(3) . . . . ? O9 Sn2 Sn3 Sn1 -57.6(3) . . . . ? O16 Sn1 O1 Sn2 6.8(3) . . . . ? O3 Sn1 O1 Sn2 83.3(4) . . . . ? C1 Sn1 O1 Sn2 -163.4(5) . . . . ? O2 Sn1 O1 Sn2 -73.2(4) . . . . ? O4 Sn1 O1 Sn2 14.4(12) . . . . ? Sn3 Sn1 O1 Sn2 44.1(3) . . . . ? O16 Sn2 O1 Sn1 -6.7(3) . . . . ? O15 Sn2 O1 Sn1 -80.4(4) . . . . ? C15 Sn2 O1 Sn1 172.4(5) . . . . ? O6 Sn2 O1 Sn1 8.1(12) . . . . ? O9 Sn2 O1 Sn1 75.3(4) . . . . ? Sn3 Sn2 O1 Sn1 -43.6(3) . . . . ? O7 S1 O2 Sn1 -118.2(9) . . . . ? O9 S1 O2 Sn1 8.6(11) . . . . ? C45 S1 O2 Sn1 123.2(9) . . . . ? O16 Sn1 O2 S1 -43.5(9) . . . . ? O3 Sn1 O2 S1 -52.2(15) . . . . ? O1 Sn1 O2 S1 34.0(9) . . . . ? C1 Sn1 O2 S1 140.0(10) . . . . ? O4 Sn1 O2 S1 -126.1(9) . . . . ? Sn3 Sn1 O2 S1 -51.2(10) . . . . ? Sn2 Sn1 O2 S1 -4.6(8) . . . . ? O16 Sn1 O3 Sn3 -7.4(4) . . . . ? O1 Sn1 O3 Sn3 -83.8(4) . . . . ? C1 Sn1 O3 Sn3 168.2(5) . . . . ? O2 Sn1 O3 Sn3 1.3(11) . . . . ? O4 Sn1 O3 Sn3 77.4(4) . . . . ? Sn2 Sn1 O3 Sn3 -44.7(3) . . . . ? O15 Sn3 O3 Sn1 81.6(4) . . . . ? O16 Sn3 O3 Sn1 7.3(3) . . . . ? O8 Sn3 O3 Sn1 -76.1(4) . . . . ? C30 Sn3 O3 Sn1 -170.2(5) . . . . ? O5 Sn3 O3 Sn1 -6.0(10) . . . . ? Sn2 Sn3 O3 Sn1 44.4(3) . . . . ? O10 S3 O4 Sn1 -82.2(9) . . . . ? O8 S3 O4 Sn1 45.5(10) . . . . ? C61 S3 O4 Sn1 157.5(8) . . . . ? O16 Sn1 O4 S3 6.6(8) . . . . ? O3 Sn1 O4 S3 -71.4(8) . . . . ? O1 Sn1 O4 S3 -0.9(17) . . . . ? C1 Sn1 O4 S3 177.0(8) . . . . ? O2 Sn1 O4 S3 85.8(8) . . . . ? Sn3 Sn1 O4 S3 -31.6(7) . . . . ? Sn2 Sn1 O4 S3 9.8(9) . . . . ? O12 S2 O5 Sn3 102.6(9) . . . . ? O6 S2 O5 Sn3 -24.7(10) . . . . ? C53 S2 O5 Sn3 -138.7(8) . . . . ? O15 Sn3 O5 S2 -21.3(8) . . . . ? O16 Sn3 O5 S2 55.5(8) . . . . ? O3 Sn3 O5 S2 68.6(12) . . . . ? O8 Sn3 O5 S2 141.0(8) . . . . ? C30 Sn3 O5 S2 -127.4(8) . . . . ? Sn1 Sn3 O5 S2 64.4(8) . . . . ? Sn2 Sn3 O5 S2 16.7(7) . . . . ? O12 S2 O6 Sn2 -108.7(9) . . . . ? O5 S2 O6 Sn2 18.9(10) . . . . ? C53 S2 O6 Sn2 133.0(9) . . . . ? O16 Sn2 O6 S2 -46.2(8) . . . . ? O15 Sn2 O6 S2 29.7(8) . . . . ? O1 Sn2 O6 S2 -60.6(15) . . . . ? C15 Sn2 O6 S2 135.0(9) . . . . ? O9 Sn2 O6 S2 -129.4(9) . . . . ? Sn1 Sn2 O6 S2 -54.8(9) . . . . ? Sn3 Sn2 O6 S2 -8.0(8) . . . . ? O10 S3 O8 Sn3 97.1(9) . . . . ? O4 S3 O8 Sn3 -31.1(9) . . . . ? C61 S3 O8 Sn3 -144.2(8) . . . . ? O15 Sn3 O8 S3 -55.4(14) . . . . ? O16 Sn3 O8 S3 -26.6(8) . . . . ? O3 Sn3 O8 S3 48.9(8) . . . . ? C30 Sn3 O8 S3 150.0(8) . . . . ? O5 Sn3 O8 S3 -106.5(8) . . . . ? Sn1 Sn3 O8 S3 11.0(7) . . . . ? Sn2 Sn3 O8 S3 -37.0(9) . . . . ? O7 S1 O9 Sn2 117.7(8) . . . . ? O2 S1 O9 Sn2 -9.0(10) . . . . ? C45 S1 O9 Sn2 -124.4(8) . . . . ? O16 Sn2 O9 S1 43.1(8) . . . . ? O15 Sn2 O9 S1 69.0(13) . . . . ? O1 Sn2 O9 S1 -32.8(8) . . . . ? C15 Sn2 O9 S1 -133.5(9) . . . . ? O6 Sn2 O9 S1 127.1(8) . . . . ? Sn1 Sn2 O9 S1 5.6(7) . . . . ? Sn3 Sn2 O9 S1 53.1(9) . . . . ? O16 Sn3 O15 Sn2 -3.5(4) . . . . ? O3 Sn3 O15 Sn2 -77.5(4) . . . . ? O8 Sn3 O15 Sn2 26.1(11) . . . . ? C30 Sn3 O15 Sn2 179.6(5) . . . . ? O5 Sn3 O15 Sn2 76.5(4) . . . . ? Sn1 Sn3 O15 Sn2 -39.2(3) . . . . ? O16 Sn2 O15 Sn3 3.5(4) . . . . ? O1 Sn2 O15 Sn3 77.7(4) . . . . ? C15 Sn2 O15 Sn3 -179.7(5) . . . . ? O6 Sn2 O15 Sn3 -80.5(4) . . . . ? O9 Sn2 O15 Sn3 -23.0(11) . . . . ? Sn1 Sn2 O15 Sn3 39.0(3) . . . . ? O3 Sn1 O16 Sn3 7.6(4) . . . . ? O1 Sn1 O16 Sn3 102.1(4) . . . . ? C1 Sn1 O16 Sn3 -148(3) . . . . ? O2 Sn1 O16 Sn3 -168.9(4) . . . . ? O4 Sn1 O16 Sn3 -75.3(4) . . . . ? Sn2 Sn1 O16 Sn3 109.1(5) . . . . ? O3 Sn1 O16 Sn2 -101.5(4) . . . . ? O1 Sn1 O16 Sn2 -7.0(4) . . . . ? C1 Sn1 O16 Sn2 103(3) . . . . ? O2 Sn1 O16 Sn2 82.0(4) . . . . ? O4 Sn1 O16 Sn2 175.6(4) . . . . ? Sn3 Sn1 O16 Sn2 -109.1(5) . . . . ? O15 Sn3 O16 Sn1 -106.1(4) . . . . ? O3 Sn3 O16 Sn1 -7.5(4) . . . . ? O8 Sn3 O16 Sn1 85.1(4) . . . . ? C30 Sn3 O16 Sn1 28(6) . . . . ? O5 Sn3 O16 Sn1 166.6(4) . . . . ? Sn2 Sn3 O16 Sn1 -109.7(5) . . . . ? O15 Sn3 O16 Sn2 3.5(4) . . . . ? O3 Sn3 O16 Sn2 102.1(4) . . . . ? O8 Sn3 O16 Sn2 -165.3(4) . . . . ? C30 Sn3 O16 Sn2 138(6) . . . . ? O5 Sn3 O16 Sn2 -83.7(4) . . . . ? Sn1 Sn3 O16 Sn2 109.7(5) . . . . ? O15 Sn2 O16 Sn1 105.9(4) . . . . ? O1 Sn2 O16 Sn1 7.0(4) . . . . ? C15 Sn2 O16 Sn1 -9(8) . . . . ? O6 Sn2 O16 Sn1 -167.6(4) . . . . ? O9 Sn2 O16 Sn1 -85.0(4) . . . . ? Sn3 Sn2 O16 Sn1 109.4(5) . . . . ? O15 Sn2 O16 Sn3 -3.5(3) . . . . ? O1 Sn2 O16 Sn3 -102.4(4) . . . . ? C15 Sn2 O16 Sn3 -118(8) . . . . ? O6 Sn2 O16 Sn3 83.1(4) . . . . ? O9 Sn2 O16 Sn3 165.6(4) . . . . ? Sn1 Sn2 O16 Sn3 -109.4(5) . . . . ? O16 Sn1 C1 C2 20(4) . . . . ? O3 Sn1 C1 C2 -134.7(13) . . . . ? O1 Sn1 C1 C2 126.9(13) . . . . ? O2 Sn1 C1 C2 40.0(14) . . . . ? O4 Sn1 C1 C2 -52.3(14) . . . . ? Sn3 Sn1 C1 C2 -119.7(12) . . . . ? Sn2 Sn1 C1 C2 109.4(13) . . . . ? O16 Sn1 C1 C6 -153(2) . . . . ? O3 Sn1 C1 C6 52.8(14) . . . . ? O1 Sn1 C1 C6 -45.5(13) . . . . ? O2 Sn1 C1 C6 -132.4(13) . . . . ? O4 Sn1 C1 C6 135.2(13) . . . . ? Sn3 Sn1 C1 C6 67.8(17) . . . . ? Sn2 Sn1 C1 C6 -63.1(14) . . . . ? C6 C1 C2 C3 4(3) . . . . ? Sn1 C1 C2 C3 -168.7(14) . . . . ? C6 C1 C2 C7 -176.8(16) . . . . ? Sn1 C1 C2 C7 11(2) . . . . ? C1 C2 C3 C4 0(3) . . . . ? C7 C2 C3 C4 -179(2) . . . . ? C2 C3 C4 C5 -4(4) . . . . ? C2 C3 C4 C13 178(2) . . . . ? C3 C4 C5 C6 4(4) . . . . ? C13 C4 C5 C6 -178(2) . . . . ? C4 C5 C6 C1 0(4) . . . . ? C4 C5 C6 C10 178(2) . . . . ? C2 C1 C6 C5 -4(3) . . . . ? Sn1 C1 C6 C5 169.0(17) . . . . ? C2 C1 C6 C10 178.0(16) . . . . ? Sn1 C1 C6 C10 -9(2) . . . . ? C3 C2 C7 C9 -64(2) . . . . ? C1 C2 C7 C9 116.2(18) . . . . ? C3 C2 C7 C8 59(2) . . . . ? C1 C2 C7 C8 -120.6(17) . . . . ? C5 C6 C10 C12 68(2) . . . . ? C1 C6 C10 C12 -113.5(19) . . . . ? C5 C6 C10 C11 -58(2) . . . . ? C1 C6 C10 C11 120.6(19) . . . . ? C5 C4 C13 C14 20(4) . . . . ? C3 C4 C13 C14 -161(3) . . . . ? C5 C4 C13 C14' -105(3) . . . . ? C3 C4 C13 C14' 73(3) . . . . ? O16 Sn2 C15 C20 150(7) . . . . ? O15 Sn2 C15 C20 35.8(15) . . . . ? O1 Sn2 C15 C20 134.0(14) . . . . ? O6 Sn2 C15 C20 -51.8(15) . . . . ? O9 Sn2 C15 C20 -134.6(14) . . . . ? Sn1 Sn2 C15 C20 141.5(12) . . . . ? Sn3 Sn2 C15 C20 35.5(18) . . . . ? O16 Sn2 C15 C16 -27(9) . . . . ? O15 Sn2 C15 C16 -140.7(13) . . . . ? O1 Sn2 C15 C16 -42.5(14) . . . . ? O6 Sn2 C15 C16 131.7(13) . . . . ? O9 Sn2 C15 C16 48.9(14) . . . . ? Sn1 Sn2 C15 C16 -35.0(17) . . . . ? Sn3 Sn2 C15 C16 -141.0(11) . . . . ? C20 C15 C16 C17 -1(3) . . . . ? Sn2 C15 C16 C17 176(2) . . . . ? C20 C15 C16 C21 178.6(17) . . . . ? Sn2 C15 C16 C21 -5(2) . . . . ? C15 C16 C17 C18 -1(5) . . . . ? C21 C16 C17 C18 -180(3) . . . . ? C16 C17 C18 C19 2(6) . . . . ? C16 C17 C18 C24 -178(4) . . . . ? C17 C18 C19 C20 -3(6) . . . . ? C24 C18 C19 C20 178(4) . . . . ? C18 C19 C20 C15 2(5) . . . . ? C18 C19 C20 C27 -179(3) . . . . ? C16 C15 C20 C19 0(3) . . . . ? Sn2 C15 C20 C19 -176(2) . . . . ? C16 C15 C20 C27 -179.6(18) . . . . ? Sn2 C15 C20 C27 4(3) . . . . ? C17 C16 C21 C22 64(2) . . . . ? C15 C16 C21 C22 -114.9(19) . . . . ? C17 C16 C21 C23 -59(3) . . . . ? C15 C16 C21 C23 121.5(19) . . . . ? C19 C18 C24 C25 -127(4) . . . . ? C17 C18 C24 C25 53(6) . . . . ? C19 C18 C24 C26 110(4) . . . . ? C17 C18 C24 C26 -69(6) . . . . ? C19 C20 C27 C29 -66(3) . . . . ? C15 C20 C27 C29 114(2) . . . . ? C19 C20 C27 C28 58(3) . . . . ? C15 C20 C27 C28 -122(2) . . . . ? O15 Sn3 C30 C31 -43.8(12) . . . . ? O16 Sn3 C30 C31 -177(65) . . . . ? O3 Sn3 C30 C31 -142.1(11) . . . . ? O8 Sn3 C30 C31 126.2(11) . . . . ? O5 Sn3 C30 C31 44.9(12) . . . . ? Sn1 Sn3 C30 C31 -151.4(9) . . . . ? Sn2 Sn3 C30 C31 -43.3(15) . . . . ? O15 Sn3 C30 C35 132.5(10) . . . . ? O16 Sn3 C30 C35 -1(7) . . . . ? O3 Sn3 C30 C35 34.1(11) . . . . ? O8 Sn3 C30 C35 -57.6(11) . . . . ? O5 Sn3 C30 C35 -138.8(11) . . . . ? Sn1 Sn3 C30 C35 24.8(14) . . . . ? Sn2 Sn3 C30 C35 132.9(9) . . . . ? C35 C30 C31 C32 1(2) . . . . ? Sn3 C30 C31 C32 176.8(12) . . . . ? C35 C30 C31 C36 179.2(14) . . . . ? Sn3 C30 C31 C36 -5(2) . . . . ? C30 C31 C32 C33 -2(3) . . . . ? C36 C31 C32 C33 179.7(16) . . . . ? C31 C32 C33 C34 1(3) . . . . ? C31 C32 C33 C39 -178.2(18) . . . . ? C32 C33 C34 C35 0(3) . . . . ? C39 C33 C34 C35 179.5(16) . . . . ? C33 C34 C35 C30 -1(2) . . . . ? C33 C34 C35 C42 179.7(16) . . . . ? C31 C30 C35 C34 1(2) . . . . ? Sn3 C30 C35 C34 -175.7(11) . . . . ? C31 C30 C35 C42 -179.9(14) . . . . ? Sn3 C30 C35 C42 4(2) . . . . ? C32 C31 C36 C38 64.8(19) . . . . ? C30 C31 C36 C38 -113.8(17) . . . . ? C32 C31 C36 C37 -59.6(19) . . . . ? C30 C31 C36 C37 121.8(16) . . . . ? C34 C33 C39 C41 -124(2) . . . . ? C32 C33 C39 C41 55(3) . . . . ? C34 C33 C39 C40 102(2) . . . . ? C32 C33 C39 C40 -79(3) . . . . ? C34 C35 C42 C43 -57.5(19) . . . . ? C30 C35 C42 C43 123.0(16) . . . . ? C34 C35 C42 C44 65.6(18) . . . . ? C30 C35 C42 C44 -113.8(17) . . . . ? O7 S1 C45 C46 -118.1(12) . . . . ? O2 S1 C45 C46 3.5(13) . . . . ? O9 S1 C45 C46 120.8(11) . . . . ? O7 S1 C45 C50 58.4(14) . . . . ? O2 S1 C45 C50 -180.0(12) . . . . ? O9 S1 C45 C50 -62.7(13) . . . . ? C50 C45 C46 C47 0(2) . . . . ? S1 C45 C46 C47 176.0(11) . . . . ? C45 C46 C47 C48 1(2) . . . . ? C45 C46 C47 C51 -177.0(15) . . . . ? C46 C47 C48 C49 -1(3) . . . . ? C51 C47 C48 C49 176.8(18) . . . . ? C47 C48 C49 C50 1(3) . . . . ? C48 C49 C50 C45 0(3) . . . . ? C48 C49 C50 C52 180(2) . . . . ? C46 C45 C50 C49 0(2) . . . . ? S1 C45 C50 C49 -176.4(14) . . . . ? C46 C45 C50 C52 179.9(18) . . . . ? S1 C45 C50 C52 4(2) . . . . ? O12 S2 C53 C54 130.3(12) . . . . ? O5 S2 C53 C54 9.0(13) . . . . ? O6 S2 C53 C54 -108.9(12) . . . . ? O12 S2 C53 C58 -46.9(14) . . . . ? O5 S2 C53 C58 -168.2(12) . . . . ? O6 S2 C53 C58 73.8(13) . . . . ? C58 C53 C54 C55 2(2) . . . . ? S2 C53 C54 C55 -174.6(13) . . . . ? C53 C54 C55 C56 0(2) . . . . ? C53 C54 C55 C59 177.9(17) . . . . ? C54 C55 C56 C57 -2(3) . . . . ? C59 C55 C56 C57 -179.9(19) . . . . ? C55 C56 C57 C58 2(3) . . . . ? C56 C57 C58 C53 0(3) . . . . ? C56 C57 C58 C60 -179.1(18) . . . . ? C54 C53 C58 C57 -2(2) . . . . ? S2 C53 C58 C57 174.6(12) . . . . ? C54 C53 C58 C60 177.0(16) . . . . ? S2 C53 C58 C60 -6(2) . . . . ? O10 S3 C61 C66 -122.9(13) . . . . ? O4 S3 C61 C66 0.2(14) . . . . ? O8 S3 C61 C66 115.8(13) . . . . ? O10 S3 C61 C62 56.6(14) . . . . ? O4 S3 C61 C62 179.7(12) . . . . ? O8 S3 C61 C62 -64.7(13) . . . . ? C66 C61 C62 C63 0(2) . . . . ? S3 C61 C62 C63 -179.4(13) . . . . ? C66 C61 C62 C67 -178.6(18) . . . . ? S3 C61 C62 C67 2(2) . . . . ? C61 C62 C63 C64 0(3) . . . . ? C67 C62 C63 C64 179(2) . . . . ? C62 C63 C64 C65 0(3) . . . . ? C63 C64 C65 C66 -1(3) . . . . ? C63 C64 C65 C68 178(2) . . . . ? C62 C61 C66 C65 0(3) . . . . ? S3 C61 C66 C65 179.1(14) . . . . ? C64 C65 C66 C61 1(3) . . . . ? C68 C65 C66 C61 -179(2) . . . . ? O14 S4 C69 C74 2.1(17) . . . . ? O11 S4 C69 C74 -118.6(15) . . . . ? O13 S4 C69 C74 122.9(15) . . . . ? O14 S4 C69 C70 -179.2(14) . . . . ? O11 S4 C69 C70 60.0(15) . . . . ? O13 S4 C69 C70 -58.5(15) . . . . ? C74 C69 C70 C71 0(3) . . . . ? S4 C69 C70 C71 -178.2(14) . . . . ? C74 C69 C70 C75 180(2) . . . . ? S4 C69 C70 C75 1(3) . . . . ? C69 C70 C71 C72 0(3) . . . . ? C75 C70 C71 C72 -180(2) . . . . ? C70 C71 C72 C73 0(3) . . . . ? C71 C72 C73 C74 0(3) . . . . ? C71 C72 C73 C76 180(2) . . . . ? C70 C69 C74 C73 0(3) . . . . ? S4 C69 C74 C73 178.2(15) . . . . ? C72 C73 C74 C69 0(3) . . . . ? C76 C73 C74 C69 -180(2) . . . . ? C82 C77 C78 C79 -2(5) . . . . ? C83 C77 C78 C79 179(3) . . . . ? C77 C78 C79 C80 2(6) . . . . ? C78 C79 C80 C81 0(7) . . . . ? C79 C80 C81 C82 -2(6) . . . . ? C78 C77 C82 C81 0(6) . . . . ? C83 C77 C82 C81 179(3) . . . . ? C80 C81 C82 C77 3(6) . . . . ? C86 C84 C85 C86 0(7) 2_566 . . . ? C86 C84 C85 C87 -179(5) 2_566 . . . ? C84 C85 C86 C84 0(7) . . . 2_566 ? C87 C85 C86 C84 179(5) . . . 2_566 ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 27.51 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 1.614 _refine_diff_density_min -1.208 _refine_diff_density_rms 0.092