Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2003 data_global _publ_contact_author_email chivers@ucalgary.ca _publ_contact_author_name 'Dr Tristram Chivers' _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? loop_ _publ_author_name T.Chivers T.J.Clark M.Parvez G.Schatte data_t6 _database_code_CSD 206175 _audit_creation_method 'manual editing of SHELXL template' _publ_section_title ; Formation of a dimeric sulfito-bridged imidotin cubane by oxidation of (SnNtBu)4 with SO2 ; _publ_section_acknowledgements ; NSERC ; _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C36 H80 N8 O7 S2 Sn8' _chemical_formula_weight 1750.72 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 '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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M C2/m _symmetry_space_group_name_Hall '-C 2y' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z' _cell_length_a 26.1198(6) _cell_length_b 11.5613(3) _cell_length_c 10.1693(3) _cell_angle_alpha 90.00 _cell_angle_beta 105.9426(10) _cell_angle_gamma 90.00 _cell_volume 2952.80(13) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 6546 _cell_measurement_theta_min 1.00 _cell_measurement_theta_max 27.50 _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.969 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1680 _exptl_absorpt_coefficient_mu 3.440 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6829 _exptl_absorpt_correction_T_max 0.7947 _exptl_absorpt_process_details 'HKL Scalepack (Otwinowski & Minor 1997)' _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Enraf Nonius FR590D, fine-focus sealed tube' _diffrn_radiation_monochromator 'horizonally mounted graphite crystal' _diffrn_measurement_device '95mm CCD camera on \k-goniostat' _diffrn_measurement_device_type 'KappaCCD (Nonius, FR540C)' _diffrn_measurement_method 'CCD rotation images, thick slices' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 'no decay' _diffrn_reflns_number 16507 _diffrn_reflns_av_R_equivalents 0.0479 _diffrn_reflns_av_sigmaI/netI 0.0473 _diffrn_reflns_limit_h_min -34 _diffrn_reflns_limit_h_max 34 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 3.25 _diffrn_reflns_theta_max 28.29 _reflns_number_total 3828 _reflns_number_gt 3213 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius BV, 1997-2000)' _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_data_reduction ; HKL Denzo and Scalepack (Otwinowski & Minor, 1997) ; _computing_structure_solution 'SIR-92 (A. Altomare, et al.) ' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ; Cameron (WinGX v1.64-04), Ortep (SHELXTL-NT v5.1, Bruker) ; _computing_publication_material 'WinGX v1.64-05 (L. J. Farrugia)' _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^)+(0.0353P)^2^+11.19P] 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 3828 _refine_ls_number_parameters 162 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.0470 _refine_ls_R_factor_gt 0.0325 _refine_ls_wR_factor_ref 0.0797 _refine_ls_wR_factor_gt 0.0738 _refine_ls_goodness_of_fit_ref 1.072 _refine_ls_restrained_S_all 1.073 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 0.739 _refine_diff_density_min -1.217 _refine_diff_density_rms 0.159 _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 28.29 _diffrn_measured_fraction_theta_full 0.995 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 0.09111(5) 0.5000 0.16328(12) 0.01941(18) Uani 0.954(5) 2 d SP . 1 Sn2 Sn 0.19027(5) 0.35735(3) 0.36774(9) 0.02371(16) Uani 0.954(5) 1 d P . 1 Sn3 Sn 0.20461(5) 0.5000 0.09330(11) 0.02492(18) Uani 0.954(5) 2 d SP . 1 Sn1' Sn 0.0750(7) 0.5000 0.1267(18) 0.013(3) Uiso 0.046(5) 2 d SP . 2 Sn2' Sn 0.1734(7) 0.3564(6) 0.3403(12) 0.013(2) Uiso 0.046(5) 1 d P . 2 Sn3' Sn 0.1886(7) 0.5000 0.0632(15) 0.017(3) Uiso 0.046(5) 2 d SP . 2 S1 S -0.01433(5) 0.5000 0.18485(14) 0.0279(3) Uani 1 2 d S . . O1 O -0.05904(14) 0.5000 0.0544(4) 0.0302(9) Uani 1 2 d S . . O2 O 0.02359(10) 0.3989(3) 0.1766(3) 0.0303(6) Uani 1 1 d . . . N1 N 0.14824(12) 0.3741(3) 0.1446(3) 0.0239(7) Uani 1 1 d . . . N2 N 0.13475(18) 0.5000 0.3774(4) 0.0237(9) Uani 1 2 d S . . N3 N 0.23678(18) 0.5000 0.3161(5) 0.0252(9) Uani 1 2 d S . . C1 C 0.13848(17) 0.2604(4) 0.0692(4) 0.0331(9) Uani 1 1 d . . . C2 C 0.0979(2) 0.1895(4) 0.1179(6) 0.0569(15) Uani 1 1 d . . . H2A H 0.1104 0.1795 0.2173 0.085 Uiso 1 1 calc R . . H2B H 0.0936 0.1135 0.0735 0.085 Uiso 1 1 calc R . . H2C H 0.0636 0.2299 0.0942 0.085 Uiso 1 1 calc R . . C3 C 0.1193(3) 0.2763(5) -0.0840(5) 0.0625(16) Uani 1 1 d . . . H3A H 0.1452 0.3228 -0.1148 0.094 Uiso 1 1 calc R . . H3B H 0.0848 0.3160 -0.1077 0.094 Uiso 1 1 calc R . . H3C H 0.1154 0.2006 -0.1289 0.094 Uiso 1 1 calc R . . C4 C 0.1908(2) 0.1934(4) 0.1002(5) 0.0446(11) Uani 1 1 d . . . H4A H 0.2042 0.1808 0.1990 0.067 Uiso 1 1 calc R . . H4B H 0.2170 0.2378 0.0682 0.067 Uiso 1 1 calc R . . H4C H 0.1848 0.1186 0.0532 0.067 Uiso 1 1 calc R . . C5 C 0.1143(2) 0.5000 0.5041(6) 0.0302(12) Uani 1 2 d S . . C6 C 0.08165(18) 0.6092(4) 0.5085(4) 0.0363(10) Uani 1 1 d . . . H6A H 0.1033 0.6777 0.5050 0.054 Uiso 1 1 calc R . . H6B H 0.0707 0.6100 0.5933 0.054 Uiso 1 1 calc R . . H6C H 0.0500 0.6096 0.4299 0.054 Uiso 1 1 calc R . . C7 C 0.1621(3) 0.5000 0.6322(6) 0.0389(14) Uani 1 2 d S . . H7A H 0.1837 0.5693 0.6321 0.058 Uiso 0.50 1 calc PR . . H7B H 0.1838 0.4308 0.6320 0.058 Uiso 0.50 1 calc PR . . H7C H 0.1493 0.4999 0.7141 0.058 Uiso 1 2 calc SR . . C8 C 0.2958(2) 0.5000 0.3751(6) 0.0322(13) Uani 1 2 d S . . C9 C 0.3100(2) 0.5000 0.5305(6) 0.0372(14) Uani 1 2 d S . . H9A H 0.2950 0.5689 0.5619 0.056 Uiso 0.50 1 calc PR . . H9B H 0.3488 0.5005 0.5679 0.056 Uiso 1 2 calc SR . . H9C H 0.2954 0.4305 0.5619 0.056 Uiso 0.50 1 calc PR . . C10 C 0.31916(18) 0.3925(5) 0.3279(5) 0.0429(11) Uani 1 1 d . . . H10A H 0.3040 0.3234 0.3587 0.064 Uiso 1 1 calc R . . H10B H 0.3579 0.3923 0.3667 0.064 Uiso 1 1 calc R . . H10C H 0.3106 0.3923 0.2278 0.064 Uiso 1 1 calc R . . O1S O 0.0167(10) 0.0000 0.785(2) 0.190(7) Uiso 0.50 2 d SPD . . C1S C 0.0054(10) -0.1002(4) 0.699(2) 0.190(7) Uiso 0.50 1 d PD . . H1S1 H -0.0112 -0.1610 0.7422 0.228 Uiso 0.50 1 calc PR . . H1S2 H 0.0387 -0.1316 0.6845 0.228 Uiso 0.50 1 calc PR . . C2S C -0.0313(10) -0.0645(4) 0.567(2) 0.190(7) Uiso 0.50 1 d PD . . H2S1 H -0.0676 -0.0944 0.5588 0.228 Uiso 0.50 1 calc PR . . H2S2 H -0.0190 -0.0944 0.4901 0.228 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 0.0192(4) 0.0210(2) 0.0192(3) 0.000 0.0073(3) 0.000 Sn2 0.0232(4) 0.02392(17) 0.0246(2) 0.00305(12) 0.0076(3) 0.00189(14) Sn3 0.0245(4) 0.0299(3) 0.0239(3) 0.000 0.0127(3) 0.000 S1 0.0224(6) 0.0389(8) 0.0233(7) 0.000 0.0078(5) 0.000 O1 0.0231(18) 0.042(2) 0.0237(19) 0.000 0.0036(15) 0.000 O2 0.0259(13) 0.0328(15) 0.0332(15) 0.0035(12) 0.0097(11) -0.0031(12) N1 0.0272(16) 0.0228(16) 0.0246(16) -0.0016(12) 0.0121(13) 0.0014(13) N2 0.028(2) 0.026(2) 0.020(2) 0.000 0.0115(18) 0.000 N3 0.025(2) 0.027(2) 0.026(2) 0.000 0.0105(18) 0.000 C1 0.039(2) 0.027(2) 0.036(2) -0.0083(17) 0.0141(18) 0.0008(18) C2 0.057(3) 0.033(3) 0.091(4) -0.027(3) 0.038(3) -0.015(2) C3 0.092(4) 0.046(3) 0.041(3) -0.020(2) 0.004(3) 0.022(3) C4 0.056(3) 0.034(2) 0.048(3) -0.007(2) 0.021(2) 0.011(2) C5 0.030(3) 0.038(3) 0.026(3) 0.000 0.015(2) 0.000 C6 0.042(2) 0.043(2) 0.029(2) -0.0046(19) 0.0172(18) 0.003(2) C7 0.040(3) 0.047(4) 0.029(3) 0.000 0.009(3) 0.000 C8 0.025(3) 0.034(3) 0.038(3) 0.000 0.010(2) 0.000 C9 0.034(3) 0.040(3) 0.035(3) 0.000 0.005(3) 0.000 C10 0.031(2) 0.049(3) 0.049(3) 0.001(2) 0.012(2) 0.009(2) 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 N1 2.130(3) . ? Sn1 N1 2.130(3) 6_565 ? Sn1 O1 2.141(4) 5_565 ? Sn1 O2 2.151(3) 6_565 ? Sn1 O2 2.151(3) . ? Sn1 N2 2.163(5) . ? Sn1 S1 2.8223(16) . ? Sn1 Sn3 3.2332(7) . ? Sn1 Sn2 3.2853(6) 6_565 ? Sn1 Sn2 3.2853(6) . ? Sn2 N3 2.196(3) . ? Sn2 N2 2.216(3) . ? Sn2 N1 2.241(3) . ? Sn2 Sn2 3.2984(7) 6_565 ? Sn3 N3 2.189(5) . ? Sn3 N1 2.232(3) . ? Sn3 N1 2.232(3) 6_565 ? Sn1' O1 1.772(17) 5_565 ? Sn1' O2 1.951(10) 6_565 ? Sn1' O2 1.951(10) . ? Sn1' N1 2.370(14) 6_565 ? Sn1' N1 2.370(14) . ? Sn1' S1 2.561(13) . ? Sn1' N2 2.60(2) . ? Sn1' Sn3' 3.205(14) . ? Sn2' N1 1.927(13) . ? Sn2' N2 2.031(10) . ? Sn2' N3 2.405(12) . ? Sn3' N1 2.097(10) . ? Sn3' N1 2.097(10) 6_565 ? Sn3' N3 2.533(17) . ? S1 O1 1.508(4) . ? S1 O2 1.549(3) 6_565 ? S1 O2 1.549(3) . ? O1 Sn1' 1.772(17) 5_565 ? O1 Sn1 2.141(4) 5_565 ? N1 C1 1.508(5) . ? N2 C5 1.523(7) . ? N2 Sn2' 2.031(10) 6_565 ? N2 Sn2 2.216(3) 6_565 ? N3 C8 1.494(7) . ? N3 Sn2 2.196(3) 6_565 ? N3 Sn2' 2.405(12) 6_565 ? C1 C3 1.511(7) . ? C1 C4 1.526(6) . ? C1 C2 1.527(6) . ? C5 C6 1.531(5) 6_565 ? C5 C6 1.531(5) . ? C5 C7 1.536(8) . ? C8 C10 1.519(6) 6_565 ? C8 C10 1.519(6) . ? C8 C9 1.521(9) . ? O1S C1S 1.431(8) . ? O1S C1S 1.431(8) 6 ? C1S C2S 1.476(8) . ? C2S C2S 1.491(9) 6 ? 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 N1 Sn1 N1 86.23(17) . 6_565 ? N1 Sn1 O1 89.58(11) . 5_565 ? N1 Sn1 O1 89.58(11) 6_565 5_565 ? N1 Sn1 O2 169.60(12) . 6_565 ? N1 Sn1 O2 103.93(12) 6_565 6_565 ? O1 Sn1 O2 88.30(12) 5_565 6_565 ? N1 Sn1 O2 103.93(12) . . ? N1 Sn1 O2 169.60(12) 6_565 . ? O1 Sn1 O2 88.30(12) 5_565 . ? O2 Sn1 O2 65.84(16) 6_565 . ? N1 Sn1 N2 84.34(13) . . ? N1 Sn1 N2 84.34(13) 6_565 . ? O1 Sn1 N2 171.66(15) 5_565 . ? O2 Sn1 N2 98.69(12) 6_565 . ? O2 Sn1 N2 98.69(12) . . ? N1 Sn1 S1 136.83(9) . . ? N1 Sn1 S1 136.83(9) 6_565 . ? O1 Sn1 S1 88.12(11) 5_565 . ? O2 Sn1 S1 32.92(8) 6_565 . ? O2 Sn1 S1 32.92(8) . . ? N2 Sn1 S1 100.22(12) . . ? N1 Sn1 Sn3 43.39(9) . . ? N1 Sn1 Sn3 43.39(9) 6_565 . ? O1 Sn1 Sn3 83.94(10) 5_565 . ? O2 Sn1 Sn3 146.21(8) 6_565 . ? O2 Sn1 Sn3 146.21(8) . . ? N2 Sn1 Sn3 87.72(12) . . ? S1 Sn1 Sn3 172.07(4) . . ? N1 Sn1 Sn2 87.12(9) . 6_565 ? N1 Sn1 Sn2 42.57(9) 6_565 6_565 ? O1 Sn1 Sn2 132.14(7) 5_565 6_565 ? O2 Sn1 Sn2 101.82(8) 6_565 6_565 ? O2 Sn1 Sn2 138.63(8) . 6_565 ? N2 Sn1 Sn2 42.01(8) . 6_565 ? S1 Sn1 Sn2 124.57(3) . 6_565 ? Sn3 Sn1 Sn2 61.846(14) . 6_565 ? N1 Sn1 Sn2 42.57(9) . . ? N1 Sn1 Sn2 87.12(9) 6_565 . ? O1 Sn1 Sn2 132.14(7) 5_565 . ? O2 Sn1 Sn2 138.63(8) 6_565 . ? O2 Sn1 Sn2 101.82(8) . . ? N2 Sn1 Sn2 42.01(8) . . ? S1 Sn1 Sn2 124.57(3) . . ? Sn3 Sn1 Sn2 61.846(14) . . ? Sn2 Sn1 Sn2 60.265(17) 6_565 . ? N3 Sn2 N2 82.16(12) . . ? N3 Sn2 N1 80.93(14) . . ? N2 Sn2 N1 80.58(14) . . ? N3 Sn2 Sn1 82.14(11) . . ? N2 Sn2 Sn1 40.78(12) . . ? N1 Sn2 Sn1 40.02(8) . . ? N3 Sn2 Sn2 41.32(9) . 6_565 ? N2 Sn2 Sn2 41.91(9) . 6_565 ? N1 Sn2 Sn2 85.05(8) . 6_565 ? Sn1 Sn2 Sn2 59.868(8) . 6_565 ? N3 Sn3 N1 81.28(12) . . ? N3 Sn3 N1 81.28(12) . 6_565 ? N1 Sn3 N1 81.43(16) . 6_565 ? N3 Sn3 Sn1 83.50(12) . . ? N1 Sn3 Sn1 40.97(8) . . ? N1 Sn3 Sn1 40.97(8) 6_565 . ? O1 Sn1' O2 106.7(9) 5_565 6_565 ? O1 Sn1' O2 106.7(9) 5_565 . ? O2 Sn1' O2 73.6(5) 6_565 . ? O1 Sn1' N1 92.0(4) 5_565 6_565 ? O2 Sn1' N1 102.2(3) 6_565 6_565 ? O2 Sn1' N1 161.3(10) . 6_565 ? O1 Sn1' N1 92.0(4) 5_565 . ? O2 Sn1' N1 161.3(10) 6_565 . ? O2 Sn1' N1 102.2(3) . . ? N1 Sn1' N1 75.8(5) 6_565 . ? O1 Sn1' S1 105.7(9) 5_565 . ? O2 Sn1' S1 37.1(2) 6_565 . ? O2 Sn1' S1 37.1(2) . . ? N1 Sn1' S1 138.5(2) 6_565 . ? N1 Sn1' S1 138.5(2) . . ? O1 Sn1' N2 157.9(8) 5_565 . ? O2 Sn1' N2 90.9(5) 6_565 . ? O2 Sn1' N2 90.9(5) . . ? N1 Sn1' N2 70.8(5) 6_565 . ? N1 Sn1' N2 70.8(5) . . ? S1 Sn1' N2 96.5(4) . . ? O1 Sn1' Sn3' 76.0(5) 5_565 . ? O2 Sn1' Sn3' 142.6(3) 6_565 . ? O2 Sn1' Sn3' 142.6(3) . . ? N1 Sn1' Sn3' 40.86(19) 6_565 . ? N1 Sn1' Sn3' 40.86(19) . . ? S1 Sn1' Sn3' 178.3(6) . . ? N2 Sn1' Sn3' 81.9(4) . . ? N1 Sn2' N2 93.4(6) . . ? N1 Sn2' N3 82.5(3) . . ? N2 Sn2' N3 81.2(3) . . ? N1 Sn3' N1 87.9(5) . 6_565 ? N1 Sn3' N3 76.3(4) . . ? N1 Sn3' N3 76.3(4) 6_565 . ? N1 Sn3' Sn1' 47.7(4) . . ? N1 Sn3' Sn1' 47.7(4) 6_565 . ? N3 Sn3' Sn1' 91.4(5) . . ? O1 S1 O2 107.73(15) . 6_565 ? O1 S1 O2 107.73(14) . . ? O2 S1 O2 98.0(2) 6_565 . ? O1 S1 Sn1' 109.4(5) . . ? O2 S1 Sn1' 49.51(12) 6_565 . ? O2 S1 Sn1' 49.51(12) . . ? O1 S1 Sn1 117.91(16) . . ? O2 S1 Sn1 48.99(10) 6_565 . ? O2 S1 Sn1 48.99(10) . . ? Sn1' S1 Sn1 8.6(4) . . ? S1 O1 Sn1' 145.0(6) . 5_565 ? S1 O1 Sn1 154.0(2) . 5_565 ? Sn1' O1 Sn1 9.0(5) 5_565 5_565 ? S1 O2 Sn1' 93.3(3) . . ? S1 O2 Sn1 98.09(14) . . ? Sn1' O2 Sn1 12.2(6) . . ? C1 N1 Sn2' 113.3(3) . . ? C1 N1 Sn3' 115.9(4) . . ? Sn2' N1 Sn3' 114.5(8) . . ? C1 N1 Sn1 128.1(2) . . ? Sn2' N1 Sn1 91.6(4) . . ? Sn3' N1 Sn1 90.1(3) . . ? C1 N1 Sn3 118.7(2) . . ? Sn2' N1 Sn3 104.5(4) . . ? Sn3' N1 Sn3 11.2(5) . . ? Sn1 N1 Sn3 95.64(13) . . ? C1 N1 Sn2 114.0(2) . . ? Sn2' N1 Sn2 9.0(4) . . ? Sn3' N1 Sn2 107.4(5) . . ? Sn1 N1 Sn2 97.42(12) . . ? Sn3 N1 Sn2 97.00(13) . . ? C1 N1 Sn1' 118.4(5) . . ? Sn2' N1 Sn1' 100.6(3) . . ? Sn3' N1 Sn1' 91.5(4) . . ? Sn1 N1 Sn1' 10.6(4) . . ? Sn3 N1 Sn1' 98.7(2) . . ? Sn2 N1 Sn1' 106.9(4) . . ? C5 N2 Sn2' 117.7(3) . . ? C5 N2 Sn2' 117.7(3) . 6_565 ? Sn2' N2 Sn2' 109.6(6) . 6_565 ? C5 N2 Sn1 129.9(3) . . ? Sn2' N2 Sn1 87.9(4) . . ? Sn2' N2 Sn1 87.9(4) 6_565 . ? C5 N2 Sn2 115.0(2) . . ? Sn2' N2 Sn2 11.2(5) . . ? Sn2' N2 Sn2 103.6(4) 6_565 . ? Sn1 N2 Sn2 97.21(14) . . ? C5 N2 Sn2 115.0(2) . 6_565 ? Sn2' N2 Sn2 103.6(4) . 6_565 ? Sn2' N2 Sn2 11.2(5) 6_565 6_565 ? Sn1 N2 Sn2 97.21(14) . 6_565 ? Sn2 N2 Sn2 96.18(17) . 6_565 ? C5 N2 Sn1' 125.1(4) . . ? Sn2' N2 Sn1' 90.7(4) . . ? Sn2' N2 Sn1' 90.7(4) 6_565 . ? Sn1 N2 Sn1' 4.8(3) . . ? Sn2 N2 Sn1' 100.4(2) . . ? Sn2 N2 Sn1' 100.4(2) 6_565 . ? C8 N3 Sn3 118.5(3) . . ? C8 N3 Sn2 118.8(2) . 6_565 ? Sn3 N3 Sn2 99.63(15) . 6_565 ? C8 N3 Sn2 118.8(2) . . ? Sn3 N3 Sn2 99.63(15) . . ? Sn2 N3 Sn2 97.35(17) 6_565 . ? C8 N3 Sn2' 128.5(4) . 6_565 ? Sn3 N3 Sn2' 91.5(4) . 6_565 ? Sn2 N3 Sn2' 10.0(4) 6_565 6_565 ? Sn2 N3 Sn2' 93.0(3) . 6_565 ? C8 N3 Sn2' 128.5(4) . . ? Sn3 N3 Sn2' 91.5(4) . . ? Sn2 N3 Sn2' 93.0(3) 6_565 . ? Sn2 N3 Sn2' 10.0(4) . . ? Sn2' N3 Sn2' 87.3(6) 6_565 . ? C8 N3 Sn3' 125.3(5) . . ? Sn3 N3 Sn3' 6.8(3) . . ? Sn2 N3 Sn3' 95.2(3) 6_565 . ? Sn2 N3 Sn3' 95.2(3) . . ? Sn2' N3 Sn3' 86.6(5) 6_565 . ? Sn2' N3 Sn3' 86.6(5) . . ? N1 C1 C3 112.3(4) . . ? N1 C1 C4 108.7(3) . . ? C3 C1 C4 107.4(4) . . ? N1 C1 C2 109.8(3) . . ? C3 C1 C2 109.7(4) . . ? C4 C1 C2 108.9(4) . . ? N2 C5 C6 110.6(3) . 6_565 ? N2 C5 C6 110.6(3) . . ? C6 C5 C6 111.0(5) 6_565 . ? N2 C5 C7 109.0(5) . . ? C6 C5 C7 107.8(3) 6_565 . ? C6 C5 C7 107.8(3) . . ? N3 C8 C10 109.4(3) . 6_565 ? N3 C8 C10 109.4(3) . . ? C10 C8 C10 109.8(5) 6_565 . ? N3 C8 C9 110.3(5) . . ? C10 C8 C9 108.9(3) 6_565 . ? C10 C8 C9 108.9(3) . . ? C1S O1S C1S 108.1(9) . 6 ? O1S C1S C2S 107.4(7) . . ? C1S C2S C2S 106.3(3) . 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 N1 Sn1 Sn2 N3 85.23(16) . . . . ? N1 Sn1 Sn2 N3 -2.34(13) 6_565 . . . ? O1 Sn1 Sn2 N3 84.48(13) 5_565 . . . ? O2 Sn1 Sn2 N3 -110.25(16) 6_565 . . . ? O2 Sn1 Sn2 N3 -176.97(13) . . . . ? N2 Sn1 Sn2 N3 -87.08(17) . . . . ? S1 Sn1 Sn2 N3 -150.78(10) . . . . ? Sn3 Sn1 Sn2 N3 34.70(10) . . . . ? Sn2 Sn1 Sn2 N3 -37.20(10) 6_565 . . . ? N1 Sn1 Sn2 N2 172.30(18) . . . . ? N1 Sn1 Sn2 N2 84.74(16) 6_565 . . . ? O1 Sn1 Sn2 N2 171.56(16) 5_565 . . . ? O2 Sn1 Sn2 N2 -23.17(17) 6_565 . . . ? O2 Sn1 Sn2 N2 -89.89(15) . . . . ? S1 Sn1 Sn2 N2 -63.70(13) . . . . ? Sn3 Sn1 Sn2 N2 121.78(13) . . . . ? Sn2 Sn1 Sn2 N2 49.88(13) 6_565 . . . ? N1 Sn1 Sn2 N1 -87.56(19) 6_565 . . . ? O1 Sn1 Sn2 N1 -0.74(15) 5_565 . . . ? O2 Sn1 Sn2 N1 164.53(18) 6_565 . . . ? O2 Sn1 Sn2 N1 97.80(15) . . . . ? N2 Sn1 Sn2 N1 -172.30(18) . . . . ? S1 Sn1 Sn2 N1 124.00(13) . . . . ? Sn3 Sn1 Sn2 N1 -50.53(13) . . . . ? Sn2 Sn1 Sn2 N1 -122.43(13) 6_565 . . . ? N1 Sn1 Sn2 Sn2 122.43(13) . . . 6_565 ? N1 Sn1 Sn2 Sn2 34.87(8) 6_565 . . 6_565 ? O1 Sn1 Sn2 Sn2 121.68(9) 5_565 . . 6_565 ? O2 Sn1 Sn2 Sn2 -73.04(12) 6_565 . . 6_565 ? O2 Sn1 Sn2 Sn2 -139.77(8) . . . 6_565 ? N2 Sn1 Sn2 Sn2 -49.88(13) . . . 6_565 ? S1 Sn1 Sn2 Sn2 -113.57(3) . . . 6_565 ? Sn3 Sn1 Sn2 Sn2 71.903(10) . . . 6_565 ? N1 Sn1 Sn3 N3 -84.18(13) . . . . ? N1 Sn1 Sn3 N3 84.18(13) 6_565 . . . ? O1 Sn1 Sn3 N3 180.0 5_565 . . . ? O2 Sn1 Sn3 N3 102.25(15) 6_565 . . . ? O2 Sn1 Sn3 N3 -102.25(15) . . . . ? N2 Sn1 Sn3 N3 0.0 . . . . ? S1 Sn1 Sn3 N3 180.0 . . . . ? Sn2 Sn1 Sn3 N3 34.706(9) 6_565 . . . ? Sn2 Sn1 Sn3 N3 -34.706(9) . . . . ? N1 Sn1 Sn3 N1 168.4(3) 6_565 . . . ? O1 Sn1 Sn3 N1 -95.82(13) 5_565 . . . ? O2 Sn1 Sn3 N1 -173.6(2) 6_565 . . . ? O2 Sn1 Sn3 N1 -18.07(18) . . . . ? N2 Sn1 Sn3 N1 84.18(13) . . . . ? S1 Sn1 Sn3 N1 -95.82(13) . . . . ? Sn2 Sn1 Sn3 N1 118.88(13) 6_565 . . . ? Sn2 Sn1 Sn3 N1 49.47(13) . . . . ? N1 Sn1 Sn3 N1 -168.4(3) . . . 6_565 ? O1 Sn1 Sn3 N1 95.82(13) 5_565 . . 6_565 ? O2 Sn1 Sn3 N1 18.07(18) 6_565 . . 6_565 ? O2 Sn1 Sn3 N1 173.6(2) . . . 6_565 ? N2 Sn1 Sn3 N1 -84.18(13) . . . 6_565 ? S1 Sn1 Sn3 N1 95.82(13) . . . 6_565 ? Sn2 Sn1 Sn3 N1 -49.47(13) 6_565 . . 6_565 ? Sn2 Sn1 Sn3 N1 -118.88(13) . . . 6_565 ? O1 Sn1' Sn3' N1 -110.1(6) 5_565 . . . ? O2 Sn1' Sn3' N1 150.6(16) 6_565 . . . ? O2 Sn1' Sn3' N1 -10.8(8) . . . . ? N1 Sn1' Sn3' N1 139.8(11) 6_565 . . . ? S1 Sn1' Sn3' N1 69.9(6) . . . . ? N2 Sn1' Sn3' N1 69.9(6) . . . . ? O1 Sn1' Sn3' N1 110.1(6) 5_565 . . 6_565 ? O2 Sn1' Sn3' N1 10.8(8) 6_565 . . 6_565 ? O2 Sn1' Sn3' N1 -150.6(16) . . . 6_565 ? N1 Sn1' Sn3' N1 -139.8(11) . . . 6_565 ? S1 Sn1' Sn3' N1 -69.9(6) . . . 6_565 ? N2 Sn1' Sn3' N1 -69.9(6) . . . 6_565 ? O1 Sn1' Sn3' N3 180.0 5_565 . . . ? O2 Sn1' Sn3' N3 80.7(11) 6_565 . . . ? O2 Sn1' Sn3' N3 -80.7(11) . . . . ? N1 Sn1' Sn3' N3 69.9(6) 6_565 . . . ? N1 Sn1' Sn3' N3 -69.9(6) . . . . ? S1 Sn1' Sn3' N3 0.000(19) . . . . ? N2 Sn1' Sn3' N3 0.000(1) . . . . ? O1 Sn1' S1 O1 0.0 5_565 . . . ? O2 Sn1' S1 O1 97.1(4) 6_565 . . . ? O2 Sn1' S1 O1 -97.1(4) . . . . ? N1 Sn1' S1 O1 111.9(11) 6_565 . . . ? N1 Sn1' S1 O1 -111.9(11) . . . . ? N2 Sn1' S1 O1 180.000(1) . . . . ? Sn3' Sn1' S1 O1 180.000(3) . . . . ? O1 Sn1' S1 O2 -97.1(4) 5_565 . . 6_565 ? O2 Sn1' S1 O2 165.7(8) . . . 6_565 ? N1 Sn1' S1 O2 14.7(8) 6_565 . . 6_565 ? N1 Sn1' S1 O2 151.0(15) . . . 6_565 ? N2 Sn1' S1 O2 82.9(4) . . . 6_565 ? Sn3' Sn1' S1 O2 82.9(4) . . . 6_565 ? O1 Sn1' S1 O2 97.1(4) 5_565 . . . ? O2 Sn1' S1 O2 -165.7(8) 6_565 . . . ? N1 Sn1' S1 O2 -151.0(15) 6_565 . . . ? N1 Sn1' S1 O2 -14.7(8) . . . . ? N2 Sn1' S1 O2 -82.9(4) . . . . ? Sn3' Sn1' S1 O2 -82.8(4) . . . . ? O1 Sn1' S1 Sn1 180.0 5_565 . . . ? O2 Sn1' S1 Sn1 -82.9(4) 6_565 . . . ? O2 Sn1' S1 Sn1 82.9(4) . . . . ? N1 Sn1' S1 Sn1 -68.1(11) 6_565 . . . ? N1 Sn1' S1 Sn1 68.1(11) . . . . ? N2 Sn1' S1 Sn1 0.0 . . . . ? Sn3' Sn1' S1 Sn1 0.000(3) . . . . ? N1 Sn1 S1 O1 -87.38(14) . . . . ? N1 Sn1 S1 O1 87.38(15) 6_565 . . . ? O1 Sn1 S1 O1 0.0 5_565 . . . ? O2 Sn1 S1 O1 89.78(14) 6_565 . . . ? O2 Sn1 S1 O1 -89.78(14) . . . . ? N2 Sn1 S1 O1 180.0 . . . . ? Sn3 Sn1 S1 O1 0.0 . . . . ? Sn2 Sn1 S1 O1 142.44(2) 6_565 . . . ? Sn2 Sn1 S1 O1 -142.44(2) . . . . ? N1 Sn1 S1 O2 -177.2(2) . . . 6_565 ? N1 Sn1 S1 O2 -2.4(2) 6_565 . . 6_565 ? O1 Sn1 S1 O2 -89.78(14) 5_565 . . 6_565 ? O2 Sn1 S1 O2 -179.6(3) . . . 6_565 ? N2 Sn1 S1 O2 90.22(14) . . . 6_565 ? Sn3 Sn1 S1 O2 -89.78(14) . . . 6_565 ? Sn2 Sn1 S1 O2 52.66(14) 6_565 . . 6_565 ? Sn2 Sn1 S1 O2 127.79(14) . . . 6_565 ? N1 Sn1 S1 O2 2.4(2) . . . . ? N1 Sn1 S1 O2 177.2(2) 6_565 . . . ? O1 Sn1 S1 O2 89.78(14) 5_565 . . . ? O2 Sn1 S1 O2 179.6(3) 6_565 . . . ? N2 Sn1 S1 O2 -90.22(14) . . . . ? Sn3 Sn1 S1 O2 89.78(14) . . . . ? Sn2 Sn1 S1 O2 -127.79(14) 6_565 . . . ? Sn2 Sn1 S1 O2 -52.66(14) . . . . ? N1 Sn1 S1 Sn1' -87.38(14) . . . . ? N1 Sn1 S1 Sn1' 87.38(15) 6_565 . . . ? O1 Sn1 S1 Sn1' 0.000(2) 5_565 . . . ? O2 Sn1 S1 Sn1' 89.78(14) 6_565 . . . ? O2 Sn1 S1 Sn1' -89.78(14) . . . . ? N2 Sn1 S1 Sn1' 180.000(2) . . . . ? Sn3 Sn1 S1 Sn1' 0.000(2) . . . . ? Sn2 Sn1 S1 Sn1' 142.44(2) 6_565 . . . ? Sn2 Sn1 S1 Sn1' -142.438(19) . . . . ? O2 S1 O1 Sn1' 52.39(12) 6_565 . . 5_565 ? O2 S1 O1 Sn1' -52.39(12) . . . 5_565 ? Sn1' S1 O1 Sn1' 0.0 . . . 5_565 ? Sn1 S1 O1 Sn1' 0.0 . . . 5_565 ? O2 S1 O1 Sn1 52.39(12) 6_565 . . 5_565 ? O2 S1 O1 Sn1 -52.39(12) . . . 5_565 ? Sn1' S1 O1 Sn1 0.0 . . . 5_565 ? Sn1 S1 O1 Sn1 0.0 . . . 5_565 ? O1 S1 O2 Sn1' 100.6(6) . . . . ? O2 S1 O2 Sn1' -10.9(6) 6_565 . . . ? Sn1 S1 O2 Sn1' -11.3(5) . . . . ? O1 S1 O2 Sn1 111.92(16) . . . . ? O2 S1 O2 Sn1 0.3(2) 6_565 . . . ? Sn1' S1 O2 Sn1 11.3(5) . . . . ? O1 Sn1' O2 S1 -94.0(4) 5_565 . . . ? O2 Sn1' O2 S1 8.9(5) 6_565 . . . ? N1 Sn1' O2 S1 88.4(16) 6_565 . . . ? N1 Sn1' O2 S1 170.1(5) . . . . ? N2 Sn1' O2 S1 99.6(2) . . . . ? Sn3' Sn1' O2 S1 177.3(10) . . . . ? O1 Sn1' O2 Sn1 152.5(11) 5_565 . . . ? O2 Sn1' O2 Sn1 -104.5(10) 6_565 . . . ? N1 Sn1' O2 Sn1 -25.0(14) 6_565 . . . ? N1 Sn1' O2 Sn1 56.7(9) . . . . ? S1 Sn1' O2 Sn1 -113.4(8) . . . . ? N2 Sn1' O2 Sn1 -13.8(7) . . . . ? Sn3' Sn1' O2 Sn1 63.8(11) . . . . ? N1 Sn1 O2 S1 -178.31(14) . . . . ? N1 Sn1 O2 S1 -10.8(8) 6_565 . . . ? O1 Sn1 O2 S1 -89.17(13) 5_565 . . . ? O2 Sn1 O2 S1 -0.27(17) 6_565 . . . ? N2 Sn1 O2 S1 95.41(14) . . . . ? Sn3 Sn1 O2 S1 -165.63(8) . . . . ? Sn2 Sn1 O2 S1 79.96(16) 6_565 . . . ? Sn2 Sn1 O2 S1 138.02(11) . . . . ? N1 Sn1 O2 Sn1' -110.6(9) . . . . ? N1 Sn1 O2 Sn1' 56.9(11) 6_565 . . . ? O1 Sn1 O2 Sn1' -21.5(9) 5_565 . . . ? O2 Sn1 O2 Sn1' 67.4(9) 6_565 . . . ? N2 Sn1 O2 Sn1' 163.1(9) . . . . ? S1 Sn1 O2 Sn1' 67.7(9) . . . . ? Sn3 Sn1 O2 Sn1' -97.9(9) . . . . ? Sn2 Sn1 O2 Sn1' 147.7(9) 6_565 . . . ? Sn2 Sn1 O2 Sn1' -154.3(9) . . . . ? N2 Sn2' N1 C1 -146.0(3) . . . . ? N3 Sn2' N1 C1 133.4(3) . . . . ? N2 Sn2' N1 Sn3' 78.0(8) . . . . ? N3 Sn2' N1 Sn3' -2.6(7) . . . . ? N2 Sn2' N1 Sn1 -12.9(5) . . . . ? N3 Sn2' N1 Sn1 -93.5(3) . . . . ? N2 Sn2' N1 Sn3 83.4(5) . . . . ? N3 Sn2' N1 Sn3 2.8(3) . . . . ? N2 Sn2' N1 Sn2 117.2(15) . . . . ? N3 Sn2' N1 Sn2 36.6(13) . . . . ? N2 Sn2' N1 Sn1' -18.6(7) . . . . ? N3 Sn2' N1 Sn1' -99.2(5) . . . . ? N1 Sn3' N1 C1 151.4(3) 6_565 . . . ? N3 Sn3' N1 C1 -132.3(3) . . . . ? Sn1' Sn3' N1 C1 122.8(7) . . . . ? N1 Sn3' N1 Sn2' -73.8(9) 6_565 . . . ? N3 Sn3' N1 Sn2' 2.6(6) . . . . ? Sn1' Sn3' N1 Sn2' -102.3(4) . . . . ? N1 Sn3' N1 Sn1 18.0(5) 6_565 . . . ? N3 Sn3' N1 Sn1 94.4(2) . . . . ? Sn1' Sn3' N1 Sn1 -10.5(4) . . . . ? N1 Sn3' N1 Sn3 -101.8(13) 6_565 . . . ? N3 Sn3' N1 Sn3 -25.4(11) . . . . ? Sn1' Sn3' N1 Sn3 -130.3(13) . . . . ? N1 Sn3' N1 Sn2 -79.8(6) 6_565 . . . ? N3 Sn3' N1 Sn2 -3.4(3) . . . . ? Sn1' Sn3' N1 Sn2 -108.3(4) . . . . ? N1 Sn3' N1 Sn1' 28.5(9) 6_565 . . . ? N3 Sn3' N1 Sn1' 104.9(6) . . . . ? N1 Sn1 N1 C1 -141.6(3) 6_565 . . . ? O1 Sn1 N1 C1 -52.0(3) 5_565 . . . ? O2 Sn1 N1 C1 26.2(9) 6_565 . . . ? O2 Sn1 N1 C1 36.2(3) . . . . ? N2 Sn1 N1 C1 133.7(3) . . . . ? S1 Sn1 N1 C1 34.8(4) . . . . ? Sn3 Sn1 N1 C1 -133.6(3) . . . . ? Sn2 Sn1 N1 C1 175.8(3) 6_565 . . . ? Sn2 Sn1 N1 C1 128.6(3) . . . . ? N1 Sn1 N1 Sn2' 96.8(4) 6_565 . . . ? O1 Sn1 N1 Sn2' -173.6(4) 5_565 . . . ? O2 Sn1 N1 Sn2' -95.4(9) 6_565 . . . ? O2 Sn1 N1 Sn2' -85.5(4) . . . . ? N2 Sn1 N1 Sn2' 12.1(4) . . . . ? S1 Sn1 N1 Sn2' -86.8(4) . . . . ? Sn3 Sn1 N1 Sn2' 104.8(4) . . . . ? Sn2 Sn1 N1 Sn2' 54.2(4) 6_565 . . . ? Sn2 Sn1 N1 Sn2' 7.0(3) . . . . ? N1 Sn1 N1 Sn3' -17.8(5) 6_565 . . . ? O1 Sn1 N1 Sn3' 71.8(5) 5_565 . . . ? O2 Sn1 N1 Sn3' 150.1(6) 6_565 . . . ? O2 Sn1 N1 Sn3' 160.0(4) . . . . ? N2 Sn1 N1 Sn3' -102.4(5) . . . . ? S1 Sn1 N1 Sn3' 158.6(4) . . . . ? Sn3 Sn1 N1 Sn3' -9.8(4) . . . . ? Sn2 Sn1 N1 Sn3' -60.4(5) 6_565 . . . ? Sn2 Sn1 N1 Sn3' -107.6(5) . . . . ? N1 Sn1 N1 Sn3 -7.99(18) 6_565 . . . ? O1 Sn1 N1 Sn3 81.62(12) 5_565 . . . ? O2 Sn1 N1 Sn3 159.8(6) 6_565 . . . ? O2 Sn1 N1 Sn3 169.76(10) . . . . ? N2 Sn1 N1 Sn3 -92.67(12) . . . . ? S1 Sn1 N1 Sn3 168.42(6) . . . . ? Sn2 Sn1 N1 Sn3 -50.62(9) 6_565 . . . ? Sn2 Sn1 N1 Sn3 -97.83(15) . . . . ? N1 Sn1 N1 Sn2 89.84(12) 6_565 . . . ? O1 Sn1 N1 Sn2 179.45(11) 5_565 . . . ? O2 Sn1 N1 Sn2 -102.3(7) 6_565 . . . ? O2 Sn1 N1 Sn2 -92.41(14) . . . . ? N2 Sn1 N1 Sn2 5.17(12) . . . . ? S1 Sn1 N1 Sn2 -93.75(16) . . . . ? Sn3 Sn1 N1 Sn2 97.83(15) . . . . ? Sn2 Sn1 N1 Sn2 47.21(9) 6_565 . . . ? N1 Sn1 N1 Sn1' -115.4(10) 6_565 . . . ? O1 Sn1 N1 Sn1' -25.8(10) 5_565 . . . ? O2 Sn1 N1 Sn1' 52.4(11) 6_565 . . . ? O2 Sn1 N1 Sn1' 62.3(10) . . . . ? N2 Sn1 N1 Sn1' 159.9(10) . . . . ? S1 Sn1 N1 Sn1' 61.0(10) . . . . ? Sn3 Sn1 N1 Sn1' -107.4(10) . . . . ? Sn2 Sn1 N1 Sn1' -158.0(10) 6_565 . . . ? Sn2 Sn1 N1 Sn1' 154.7(10) . . . . ? N3 Sn3 N1 C1 -130.4(3) . . . . ? N1 Sn3 N1 C1 147.2(2) 6_565 . . . ? Sn1 Sn3 N1 C1 139.5(3) . . . . ? N3 Sn3 N1 Sn2' -3.1(4) . . . . ? N1 Sn3 N1 Sn2' -85.5(4) 6_565 . . . ? Sn1 Sn3 N1 Sn2' -93.2(3) . . . . ? N3 Sn3 N1 Sn3' 150.8(12) . . . . ? N1 Sn3 N1 Sn3' 68.4(12) 6_565 . . . ? Sn1 Sn3 N1 Sn3' 60.7(12) . . . . ? N3 Sn3 N1 Sn1 90.11(13) . . . . ? N1 Sn3 N1 Sn1 7.69(17) 6_565 . . . ? N3 Sn3 N1 Sn2 -8.10(11) . . . . ? N1 Sn3 N1 Sn2 -90.52(12) 6_565 . . . ? Sn1 Sn3 N1 Sn2 -98.21(14) . . . . ? N3 Sn3 N1 Sn1' 100.3(5) . . . . ? N1 Sn3 N1 Sn1' 17.9(5) 6_565 . . . ? Sn1 Sn3 N1 Sn1' 10.2(4) . . . . ? N3 Sn2 N1 C1 133.8(3) . . . . ? N2 Sn2 N1 C1 -142.7(3) . . . . ? Sn1 Sn2 N1 C1 -137.6(3) . . . . ? Sn2 Sn2 N1 C1 175.3(2) 6_565 . . . ? N3 Sn2 N1 Sn2' -139.0(15) . . . . ? N2 Sn2 N1 Sn2' -55.6(14) . . . . ? Sn1 Sn2 N1 Sn2' -50.5(15) . . . . ? Sn2 Sn2 N1 Sn2' -97.6(15) 6_565 . . . ? N3 Sn2 N1 Sn3' 3.9(3) . . . . ? N2 Sn2 N1 Sn3' 87.3(3) . . . . ? Sn1 Sn2 N1 Sn3' 92.4(3) . . . . ? Sn2 Sn2 N1 Sn3' 45.3(3) 6_565 . . . ? N3 Sn2 N1 Sn1 -88.56(13) . . . . ? N2 Sn2 N1 Sn1 -5.09(12) . . . . ? Sn2 Sn2 N1 Sn1 -47.12(9) 6_565 . . . ? N3 Sn2 N1 Sn3 8.08(12) . . . . ? N2 Sn2 N1 Sn3 91.56(13) . . . . ? Sn1 Sn2 N1 Sn3 96.65(14) . . . . ? Sn2 Sn2 N1 Sn3 49.53(9) 6_565 . . . ? N3 Sn2 N1 Sn1' -93.3(3) . . . . ? N2 Sn2 N1 Sn1' -9.8(3) . . . . ? Sn1 Sn2 N1 Sn1' -4.7(2) . . . . ? Sn2 Sn2 N1 Sn1' -51.8(3) 6_565 . . . ? O1 Sn1' N1 C1 -55.0(4) 5_565 . . . ? O2 Sn1' N1 C1 127.4(16) 6_565 . . . ? O2 Sn1' N1 C1 52.6(8) . . . . ? N1 Sn1' N1 C1 -146.6(3) 6_565 . . . ? S1 Sn1' N1 C1 61.6(12) . . . . ? N2 Sn1' N1 C1 139.2(3) . . . . ? Sn3' Sn1' N1 C1 -120.8(6) . . . . ? O1 Sn1' N1 Sn2' -178.9(3) 5_565 . . . ? O2 Sn1' N1 Sn2' 3.4(19) 6_565 . . . ? O2 Sn1' N1 Sn2' -71.3(9) . . . . ? N1 Sn1' N1 Sn2' 89.5(3) 6_565 . . . ? S1 Sn1' N1 Sn2' -62.3(14) . . . . ? N2 Sn1' N1 Sn2' 15.3(5) . . . . ? Sn3' Sn1' N1 Sn2' 115.3(7) . . . . ? O1 Sn1' N1 Sn3' 65.8(7) 5_565 . . . ? O2 Sn1' N1 Sn3' -111.9(14) 6_565 . . . ? O2 Sn1' N1 Sn3' 173.3(5) . . . . ? N1 Sn1' N1 Sn3' -25.8(7) 6_565 . . . ? S1 Sn1' N1 Sn3' -177.6(9) . . . . ? N2 Sn1' N1 Sn3' -100.0(4) . . . . ? O1 Sn1' N1 Sn1 148.3(11) 5_565 . . . ? O2 Sn1' N1 Sn1 -29.4(15) 6_565 . . . ? O2 Sn1' N1 Sn1 -104.2(13) . . . . ? N1 Sn1' N1 Sn1 56.7(9) 6_565 . . . ? S1 Sn1' N1 Sn1 -95.1(16) . . . . ? N2 Sn1' N1 Sn1 -17.5(9) . . . . ? Sn3' Sn1' N1 Sn1 82.5(10) . . . . ? O1 Sn1' N1 Sn3 74.4(4) 5_565 . . . ? O2 Sn1' N1 Sn3 -103.2(15) 6_565 . . . ? O2 Sn1' N1 Sn3 -178.0(5) . . . . ? N1 Sn1' N1 Sn3 -17.2(4) 6_565 . . . ? S1 Sn1' N1 Sn3 -169.0(10) . . . . ? N2 Sn1' N1 Sn3 -91.39(16) . . . . ? Sn3' Sn1' N1 Sn3 8.6(4) . . . . ? O1 Sn1' N1 Sn2 174.5(3) 5_565 . . . ? O2 Sn1' N1 Sn2 -3.1(17) 6_565 . . . ? O2 Sn1' N1 Sn2 -77.9(7) . . . . ? N1 Sn1' N1 Sn2 82.9(3) 6_565 . . . ? S1 Sn1' N1 Sn2 -68.9(12) . . . . ? N2 Sn1' N1 Sn2 8.7(2) . . . . ? Sn3' Sn1' N1 Sn2 108.7(5) . . . . ? N1 Sn2' N2 C5 147.6(4) . . . . ? N3 Sn2' N2 C5 -130.5(4) . . . . ? N1 Sn2' N2 Sn2' -74.4(10) . . . 6_565 ? N3 Sn2' N2 Sn2' 7.5(9) . . . 6_565 ? N1 Sn2' N2 Sn1 12.7(4) . . . . ? N3 Sn2' N2 Sn1 94.6(3) . . . . ? N1 Sn2' N2 Sn2 -133.3(13) . . . . ? N3 Sn2' N2 Sn2 -51.4(10) . . . . ? N1 Sn2' N2 Sn2 -84.2(6) . . . 6_565 ? N3 Sn2' N2 Sn2 -2.4(4) . . . 6_565 ? N1 Sn2' N2 Sn1' 16.6(6) . . . . ? N3 Sn2' N2 Sn1' 98.5(5) . . . . ? N1 Sn1 N2 C5 -136.62(9) . . . . ? N1 Sn1 N2 C5 136.62(9) 6_565 . . . ? O1 Sn1 N2 C5 180.000(1) 5_565 . . . ? O2 Sn1 N2 C5 33.35(8) 6_565 . . . ? O2 Sn1 N2 C5 -33.35(8) . . . . ? S1 Sn1 N2 C5 0.0 . . . . ? Sn3 Sn1 N2 C5 180.0 . . . . ? Sn2 Sn1 N2 C5 131.40(10) 6_565 . . . ? Sn2 Sn1 N2 C5 -131.40(10) . . . . ? N1 Sn1 N2 Sn2' -11.5(3) . . . . ? N1 Sn1 N2 Sn2' -98.3(3) 6_565 . . . ? O1 Sn1 N2 Sn2' -54.9(3) 5_565 . . . ? O2 Sn1 N2 Sn2' 158.5(3) 6_565 . . . ? O2 Sn1 N2 Sn2' 91.8(4) . . . . ? S1 Sn1 N2 Sn2' 125.1(3) . . . . ? Sn3 Sn1 N2 Sn2' -54.9(3) . . . . ? Sn2 Sn1 N2 Sn2' -103.5(4) 6_565 . . . ? Sn2 Sn1 N2 Sn2' -6.3(3) . . . . ? N1 Sn1 N2 Sn2' 98.3(3) . . . 6_565 ? N1 Sn1 N2 Sn2' 11.5(3) 6_565 . . 6_565 ? O1 Sn1 N2 Sn2' 54.9(3) 5_565 . . 6_565 ? O2 Sn1 N2 Sn2' -91.8(4) 6_565 . . 6_565 ? O2 Sn1 N2 Sn2' -158.5(3) . . . 6_565 ? S1 Sn1 N2 Sn2' -125.1(3) . . . 6_565 ? Sn3 Sn1 N2 Sn2' 54.9(3) . . . 6_565 ? Sn2 Sn1 N2 Sn2' 6.3(3) 6_565 . . 6_565 ? Sn2 Sn1 N2 Sn2' 103.5(4) . . . 6_565 ? N1 Sn1 N2 Sn2 -5.22(13) . . . . ? N1 Sn1 N2 Sn2 -91.98(14) 6_565 . . . ? O1 Sn1 N2 Sn2 -48.60(10) 5_565 . . . ? O2 Sn1 N2 Sn2 164.75(12) 6_565 . . . ? O2 Sn1 N2 Sn2 98.05(14) . . . . ? S1 Sn1 N2 Sn2 131.40(10) . . . . ? Sn3 Sn1 N2 Sn2 -48.60(10) . . . . ? Sn2 Sn1 N2 Sn2 -97.20(19) 6_565 . . . ? N1 Sn1 N2 Sn2 91.98(14) . . . 6_565 ? N1 Sn1 N2 Sn2 5.22(12) 6_565 . . 6_565 ? O1 Sn1 N2 Sn2 48.60(10) 5_565 . . 6_565 ? O2 Sn1 N2 Sn2 -98.05(14) 6_565 . . 6_565 ? O2 Sn1 N2 Sn2 -164.75(12) . . . 6_565 ? S1 Sn1 N2 Sn2 -131.40(10) . . . 6_565 ? Sn3 Sn1 N2 Sn2 48.60(10) . . . 6_565 ? Sn2 Sn1 N2 Sn2 97.20(19) . . . 6_565 ? N1 Sn1 N2 Sn1' -136.62(9) . . . . ? N1 Sn1 N2 Sn1' 136.62(9) 6_565 . . . ? O1 Sn1 N2 Sn1' 180.000(5) 5_565 . . . ? O2 Sn1 N2 Sn1' 33.35(8) 6_565 . . . ? O2 Sn1 N2 Sn1' -33.35(8) . . . . ? S1 Sn1 N2 Sn1' 0.000(2) . . . . ? Sn3 Sn1 N2 Sn1' 180.000(4) . . . . ? Sn2 Sn1 N2 Sn1' 131.40(10) 6_565 . . . ? Sn2 Sn1 N2 Sn1' -131.40(10) . . . . ? N3 Sn2 N2 C5 -132.4(3) . . . . ? N1 Sn2 N2 C5 145.6(3) . . . . ? Sn1 Sn2 N2 C5 140.6(3) . . . . ? Sn2 Sn2 N2 C5 -121.3(4) 6_565 . . . ? N3 Sn2 N2 Sn2' 121.3(11) . . . . ? N1 Sn2 N2 Sn2' 39.3(11) . . . . ? Sn1 Sn2 N2 Sn2' 34.3(11) . . . . ? Sn2 Sn2 N2 Sn2' 132.4(11) 6_565 . . . ? N3 Sn2 N2 Sn2' -2.6(5) . . . 6_565 ? N1 Sn2 N2 Sn2' -84.6(5) . . . 6_565 ? Sn1 Sn2 N2 Sn2' -89.6(4) . . . 6_565 ? Sn2 Sn2 N2 Sn2' 8.5(4) 6_565 . . 6_565 ? N3 Sn2 N2 Sn1 87.05(16) . . . . ? N1 Sn2 N2 Sn1 5.01(12) . . . . ? Sn2 Sn2 N2 Sn1 98.10(17) 6_565 . . . ? N3 Sn2 N2 Sn2 -11.05(17) . . . 6_565 ? N1 Sn2 N2 Sn2 -93.09(16) . . . 6_565 ? Sn1 Sn2 N2 Sn2 -98.10(17) . . . 6_565 ? N3 Sn2 N2 Sn1' 90.7(3) . . . . ? N1 Sn2 N2 Sn1' 8.7(2) . . . . ? Sn1 Sn2 N2 Sn1' 3.7(2) . . . . ? Sn2 Sn2 N2 Sn1' 101.8(3) 6_565 . . . ? O1 Sn1' N2 C5 180.0 5_565 . . . ? O2 Sn1' N2 C5 36.8(2) 6_565 . . . ? O2 Sn1' N2 C5 -36.8(2) . . . . ? N1 Sn1' N2 C5 139.40(16) 6_565 . . . ? N1 Sn1' N2 C5 -139.40(16) . . . . ? S1 Sn1' N2 C5 0.0 . . . . ? Sn3' Sn1' N2 C5 180.0 . . . . ? O1 Sn1' N2 Sn2' -54.8(3) 5_565 . . . ? O2 Sn1' N2 Sn2' 162.0(3) 6_565 . . . ? O2 Sn1' N2 Sn2' 88.4(5) . . . . ? N1 Sn1' N2 Sn2' -95.4(3) 6_565 . . . ? N1 Sn1' N2 Sn2' -14.2(4) . . . . ? S1 Sn1' N2 Sn2' 125.2(3) . . . . ? Sn3' Sn1' N2 Sn2' -54.8(3) . . . . ? O1 Sn1' N2 Sn2' 54.8(3) 5_565 . . 6_565 ? O2 Sn1' N2 Sn2' -88.4(5) 6_565 . . 6_565 ? O2 Sn1' N2 Sn2' -162.0(3) . . . 6_565 ? N1 Sn1' N2 Sn2' 14.2(4) 6_565 . . 6_565 ? N1 Sn1' N2 Sn2' 95.4(3) . . . 6_565 ? S1 Sn1' N2 Sn2' -125.2(3) . . . 6_565 ? Sn3' Sn1' N2 Sn2' 54.8(3) . . . 6_565 ? O1 Sn1' N2 Sn1 0.0 5_565 . . . ? O2 Sn1' N2 Sn1 -143.2(2) 6_565 . . . ? O2 Sn1' N2 Sn1 143.2(2) . . . . ? N1 Sn1' N2 Sn1 -40.60(16) 6_565 . . . ? N1 Sn1' N2 Sn1 40.60(16) . . . . ? S1 Sn1' N2 Sn1 180.0 . . . . ? Sn3' Sn1' N2 Sn1 0.0 . . . . ? O1 Sn1' N2 Sn2 -49.16(11) 5_565 . . . ? O2 Sn1' N2 Sn2 167.7(2) 6_565 . . . ? O2 Sn1' N2 Sn2 94.0(3) . . . . ? N1 Sn1' N2 Sn2 -89.76(17) 6_565 . . . ? N1 Sn1' N2 Sn2 -8.6(2) . . . . ? S1 Sn1' N2 Sn2 130.84(11) . . . . ? Sn3' Sn1' N2 Sn2 -49.16(11) . . . . ? O1 Sn1' N2 Sn2 49.16(11) 5_565 . . 6_565 ? O2 Sn1' N2 Sn2 -94.0(3) 6_565 . . 6_565 ? O2 Sn1' N2 Sn2 -167.7(2) . . . 6_565 ? N1 Sn1' N2 Sn2 8.6(2) 6_565 . . 6_565 ? N1 Sn1' N2 Sn2 89.76(17) . . . 6_565 ? S1 Sn1' N2 Sn2 -130.84(11) . . . 6_565 ? Sn3' Sn1' N2 Sn2 49.16(11) . . . 6_565 ? N1 Sn3 N3 C8 138.71(8) . . . . ? N1 Sn3 N3 C8 -138.71(8) 6_565 . . . ? Sn1 Sn3 N3 C8 180.0 . . . . ? N1 Sn3 N3 Sn2 -90.91(14) . . . 6_565 ? N1 Sn3 N3 Sn2 -8.32(13) 6_565 . . 6_565 ? Sn1 Sn3 N3 Sn2 -49.62(11) . . . 6_565 ? N1 Sn3 N3 Sn2 8.32(13) . . . . ? N1 Sn3 N3 Sn2 90.91(14) 6_565 . . . ? Sn1 Sn3 N3 Sn2 49.62(11) . . . . ? N1 Sn3 N3 Sn2' -85.0(3) . . . 6_565 ? N1 Sn3 N3 Sn2' -2.4(3) 6_565 . . 6_565 ? Sn1 Sn3 N3 Sn2' -43.7(3) . . . 6_565 ? N1 Sn3 N3 Sn2' 2.4(3) . . . . ? N1 Sn3 N3 Sn2' 85.0(3) 6_565 . . . ? Sn1 Sn3 N3 Sn2' 43.7(3) . . . . ? N1 Sn3 N3 Sn3' -41.29(8) . . . . ? N1 Sn3 N3 Sn3' 41.29(8) 6_565 . . . ? Sn1 Sn3 N3 Sn3' 0.0 . . . . ? N2 Sn2 N3 C8 139.9(3) . . . . ? N1 Sn2 N3 C8 -138.5(3) . . . . ? Sn1 Sn2 N3 C8 -178.9(3) . . . . ? Sn2 Sn2 N3 C8 128.7(4) 6_565 . . . ? N2 Sn2 N3 Sn3 -89.94(15) . . . . ? N1 Sn2 N3 Sn3 -8.30(12) . . . . ? Sn1 Sn2 N3 Sn3 -48.76(10) . . . . ? Sn2 Sn2 N3 Sn3 -101.1(2) 6_565 . . . ? N2 Sn2 N3 Sn2 11.19(18) . . . 6_565 ? N1 Sn2 N3 Sn2 92.83(16) . . . 6_565 ? Sn1 Sn2 N3 Sn2 52.37(13) . . . 6_565 ? N2 Sn2 N3 Sn2' 2.1(4) . . . 6_565 ? N1 Sn2 N3 Sn2' 83.8(4) . . . 6_565 ? Sn1 Sn2 N3 Sn2' 43.3(4) . . . 6_565 ? Sn2 Sn2 N3 Sn2' -9.1(3) 6_565 . . 6_565 ? N2 Sn2 N3 Sn2' -53.4(10) . . . . ? N1 Sn2 N3 Sn2' 28.2(10) . . . . ? Sn1 Sn2 N3 Sn2' -12.2(10) . . . . ? Sn2 Sn2 N3 Sn2' -64.6(10) 6_565 . . . ? N2 Sn2 N3 Sn3' -84.7(3) . . . . ? N1 Sn2 N3 Sn3' -3.1(3) . . . . ? Sn1 Sn2 N3 Sn3' -43.5(3) . . . . ? Sn2 Sn2 N3 Sn3' -95.9(3) 6_565 . . . ? N1 Sn2' N3 C8 -131.8(5) . . . . ? N2 Sn2' N3 C8 133.5(5) . . . . ? N1 Sn2' N3 Sn3 -2.7(3) . . . . ? N2 Sn2' N3 Sn3 -97.4(4) . . . . ? N1 Sn2' N3 Sn2 97.0(3) . . . 6_565 ? N2 Sn2' N3 Sn2 2.3(4) . . . 6_565 ? N1 Sn2' N3 Sn2 -146.8(12) . . . . ? N2 Sn2' N3 Sn2 118.5(11) . . . . ? N1 Sn2' N3 Sn2' 88.7(3) . . . 6_565 ? N2 Sn2' N3 Sn2' -6.0(7) . . . 6_565 ? N1 Sn2' N3 Sn3' 2.0(5) . . . . ? N2 Sn2' N3 Sn3' -92.7(3) . . . . ? N1 Sn3' N3 C8 134.4(3) . . . . ? N1 Sn3' N3 C8 -134.4(3) 6_565 . . . ? Sn1' Sn3' N3 C8 180.0 . . . . ? N1 Sn3' N3 Sn3 134.4(3) . . . . ? N1 Sn3' N3 Sn3 -134.4(3) 6_565 . . . ? Sn1' Sn3' N3 Sn3 180.0 . . . . ? N1 Sn3' N3 Sn2 -94.6(3) . . . 6_565 ? N1 Sn3' N3 Sn2 -3.3(3) 6_565 . . 6_565 ? Sn1' Sn3' N3 Sn2 -48.94(10) . . . 6_565 ? N1 Sn3' N3 Sn2 3.3(3) . . . . ? N1 Sn3' N3 Sn2 94.6(3) 6_565 . . . ? Sn1' Sn3' N3 Sn2 48.94(10) . . . . ? N1 Sn3' N3 Sn2' -89.4(3) . . . 6_565 ? N1 Sn3' N3 Sn2' 1.9(5) 6_565 . . 6_565 ? Sn1' Sn3' N3 Sn2' -43.7(3) . . . 6_565 ? N1 Sn3' N3 Sn2' -1.9(5) . . . . ? N1 Sn3' N3 Sn2' 89.4(3) 6_565 . . . ? Sn1' Sn3' N3 Sn2' 43.7(3) . . . . ? Sn2' N1 C1 C3 -179.5(6) . . . . ? Sn3' N1 C1 C3 -44.1(7) . . . . ? Sn1 N1 C1 C3 68.4(5) . . . . ? Sn3 N1 C1 C3 -56.4(4) . . . . ? Sn2 N1 C1 C3 -169.7(3) . . . . ? Sn1' N1 C1 C3 63.1(5) . . . . ? Sn2' N1 C1 C4 -60.8(6) . . . . ? Sn3' N1 C1 C4 74.6(7) . . . . ? Sn1 N1 C1 C4 -172.8(3) . . . . ? Sn3 N1 C1 C4 62.4(4) . . . . ? Sn2 N1 C1 C4 -50.9(4) . . . . ? Sn1' N1 C1 C4 -178.1(4) . . . . ? Sn2' N1 C1 C2 58.2(6) . . . . ? Sn3' N1 C1 C2 -166.4(6) . . . . ? Sn1 N1 C1 C2 -53.9(5) . . . . ? Sn3 N1 C1 C2 -178.7(3) . . . . ? Sn2 N1 C1 C2 68.0(4) . . . . ? Sn1' N1 C1 C2 -59.2(5) . . . . ? Sn2' N2 C5 C6 -51.0(7) . . . 6_565 ? Sn2' N2 C5 C6 174.4(6) 6_565 . . 6_565 ? Sn1 N2 C5 C6 61.7(3) . . . 6_565 ? Sn2 N2 C5 C6 -63.1(5) . . . 6_565 ? Sn2 N2 C5 C6 -173.5(3) 6_565 . . 6_565 ? Sn1' N2 C5 C6 61.7(3) . . . 6_565 ? Sn2' N2 C5 C6 -174.4(6) . . . . ? Sn2' N2 C5 C6 51.0(7) 6_565 . . . ? Sn1 N2 C5 C6 -61.7(3) . . . . ? Sn2 N2 C5 C6 173.5(3) . . . . ? Sn2 N2 C5 C6 63.1(5) 6_565 . . . ? Sn1' N2 C5 C6 -61.7(3) . . . . ? Sn2' N2 C5 C7 67.3(6) . . . . ? Sn2' N2 C5 C7 -67.3(6) 6_565 . . . ? Sn1 N2 C5 C7 180.0 . . . . ? Sn2 N2 C5 C7 55.21(19) . . . . ? Sn2 N2 C5 C7 -55.21(19) 6_565 . . . ? Sn1' N2 C5 C7 180.0 . . . . ? Sn3 N3 C8 C10 60.2(4) . . . 6_565 ? Sn2 N3 C8 C10 -60.8(5) 6_565 . . 6_565 ? Sn2 N3 C8 C10 -178.8(3) . . . 6_565 ? Sn2' N3 C8 C10 -57.9(6) 6_565 . . 6_565 ? Sn2' N3 C8 C10 178.3(4) . . . 6_565 ? Sn3' N3 C8 C10 60.2(4) . . . 6_565 ? Sn3 N3 C8 C10 -60.2(4) . . . . ? Sn2 N3 C8 C10 178.8(3) 6_565 . . . ? Sn2 N3 C8 C10 60.8(5) . . . . ? Sn2' N3 C8 C10 -178.3(4) 6_565 . . . ? Sn2' N3 C8 C10 57.9(6) . . . . ? Sn3' N3 C8 C10 -60.2(4) . . . . ? Sn3 N3 C8 C9 180.0 . . . . ? Sn2 N3 C8 C9 59.0(2) 6_565 . . . ? Sn2 N3 C8 C9 -59.0(2) . . . . ? Sn2' N3 C8 C9 61.9(4) 6_565 . . . ? Sn2' N3 C8 C9 -61.9(4) . . . . ? Sn3' N3 C8 C9 180.0 . . . . ? C1S O1S C1S C2S -21(4) 6 . . . ? O1S C1S C2S C2S 13(2) . . . 6 ?