Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2005 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'ProfD Jens Beckmann' _publ_contact_author_address ; Institute of Chemistry Free University of Berlin Fabeckstr. 34-36 14195 Berlin GERMANY ; _publ_contact_author_email BECKMANN@CHEMIE.FU-BERLIN.DE _publ_section_title ; The Utility of Hypercoordination and Secondary Bonding for the Synthesis of a Binary Organoelement Oxo Cluster ; loop_ _publ_author_name 'Jens Beckmann' 'D. Dakternieks' 'Andrew Duthie' 'Cassandra Mitchell' data_CM5-68-a _database_code_depnum_ccdc_archive 'CCDC 252236' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C60 H104 O12 Sn4 Te2' _chemical_formula_sum 'C60 H104 O12 Sn4 Te2' _chemical_formula_weight 1747.39 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' Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P 21/n' _symmetry_space_group_name_Hall '-P 2yn' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 11.8078(9) _cell_length_b 22.6307(18) _cell_length_c 13.7604(11) _cell_angle_alpha 90.00 _cell_angle_beta 105.4640(10) _cell_angle_gamma 90.00 _cell_volume 3543.9(5) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 9823 _cell_measurement_theta_min 2.37 _cell_measurement_theta_max 27.52 _exptl_crystal_description Slab _exptl_crystal_colour Colourless _exptl_crystal_size_min 0.10 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_max 0.50 _exptl_crystal_density_diffrn 1.638 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1728 _exptl_absorpt_coefficient_mu 2.252 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.455 _exptl_absorpt_correction_T_max 0.798 _exptl_absorpt_process_details (SADABS,Bruker,2000) _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_reflns_number 22020 _diffrn_reflns_av_R_equivalents 0.0261 _diffrn_reflns_av_sigmaI/netI 0.0314 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.78 _diffrn_reflns_theta_max 27.53 _reflns_number_total 8067 _reflns_number_gt 7256 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker, 2000)' _computing_cell_refinement 'SMART (Bruker, 2000)' _computing_data_reduction 'SAINT (Bruker, 2000)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'DIAMOND (Brandenburg, 2000)' _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^)+(0.0357P)^2^+1.6249P] 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_number_reflns 8067 _refine_ls_number_parameters 352 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0370 _refine_ls_R_factor_gt 0.0320 _refine_ls_wR_factor_ref 0.0764 _refine_ls_wR_factor_gt 0.0741 _refine_ls_goodness_of_fit_ref 1.079 _refine_ls_restrained_S_all 1.079 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C11 C 0.7872(3) 0.09465(14) 0.6758(2) 0.0376(7) Uani 1 1 d . . . C12 C 0.7068(3) 0.06383(15) 0.7142(3) 0.0412(7) Uani 1 1 d . . . H12 H 0.6758 0.0283 0.6846 0.049 Uiso 1 1 calc R . . C13 C 0.6723(3) 0.08560(16) 0.7961(3) 0.0439(8) Uani 1 1 d . . . H13 H 0.6194 0.0644 0.8218 0.053 Uiso 1 1 calc R . . C14 C 0.7163(3) 0.13879(16) 0.8395(3) 0.0437(8) Uani 1 1 d . . . C15 C 0.7975(4) 0.16883(18) 0.8032(3) 0.0596(11) Uani 1 1 d . . . H15 H 0.8287 0.2042 0.8330 0.072 Uiso 1 1 calc R . . C16 C 0.8329(4) 0.14645(17) 0.7224(3) 0.0554(10) Uani 1 1 d . . . H16 H 0.8888 0.1669 0.6991 0.066 Uiso 1 1 calc R . . C17 C 0.7049(5) 0.21565(19) 0.9549(4) 0.0731(13) Uani 1 1 d . . . H17A H 0.6701 0.2237 1.0091 0.110 Uiso 1 1 calc R . . H17B H 0.6767 0.2438 0.9017 0.110 Uiso 1 1 calc R . . H17C H 0.7888 0.2186 0.9791 0.110 Uiso 1 1 calc R . . C21 C 0.7643(3) -0.01185(13) 0.5129(2) 0.0352(7) Uani 1 1 d . . . C22 C 0.8370(3) -0.06086(15) 0.5204(3) 0.0436(8) Uani 1 1 d . . . H22 H 0.9181 -0.0565 0.5434 0.052 Uiso 1 1 calc R . . C23 C 0.7893(3) -0.11547(15) 0.4938(3) 0.0474(9) Uani 1 1 d . . . H23 H 0.8383 -0.1481 0.4986 0.057 Uiso 1 1 calc R . . C24 C 0.6678(3) -0.12268(15) 0.4595(3) 0.0430(8) Uani 1 1 d . . . C25 C 0.5959(3) -0.07400(15) 0.4504(3) 0.0471(9) Uani 1 1 d . . . H25 H 0.5148 -0.0782 0.4267 0.057 Uiso 1 1 calc R . . C26 C 0.6449(3) -0.01863(15) 0.4769(3) 0.0420(8) Uani 1 1 d . . . H26 H 0.5963 0.0143 0.4700 0.050 Uiso 1 1 calc R . . C27 C 0.5079(4) -0.18811(19) 0.3936(4) 0.0764(14) Uani 1 1 d . . . H27A H 0.4931 -0.2296 0.3821 0.115 Uiso 1 1 calc R . . H27B H 0.4840 -0.1673 0.3307 0.115 Uiso 1 1 calc R . . H27C H 0.4642 -0.1737 0.4384 0.115 Uiso 1 1 calc R . . C31 C 0.7673(4) 0.22733(16) 0.3510(3) 0.0570(10) Uani 1 1 d . . . C32 C 0.8940(5) 0.2235(2) 0.4130(5) 0.0934(17) Uani 1 1 d . . . H32A H 0.8983 0.2016 0.4736 0.140 Uiso 1 1 calc R . . H32B H 0.9243 0.2626 0.4301 0.140 Uiso 1 1 calc R . . H32C H 0.9398 0.2039 0.3746 0.140 Uiso 1 1 calc R . . C33 C 0.6970(6) 0.2579(2) 0.4147(5) 0.113(2) Uani 1 1 d . . . H33A H 0.7033 0.2356 0.4752 0.170 Uiso 1 1 calc R . . H33B H 0.6160 0.2603 0.3771 0.170 Uiso 1 1 calc R . . H33C H 0.7275 0.2969 0.4318 0.170 Uiso 1 1 calc R . . C34 C 0.7590(6) 0.2614(2) 0.2557(4) 0.0972(19) Uani 1 1 d . . . H34A H 0.6784 0.2636 0.2171 0.146 Uiso 1 1 calc R . . H34B H 0.8044 0.2418 0.2169 0.146 Uiso 1 1 calc R . . H34C H 0.7890 0.3006 0.2723 0.146 Uiso 1 1 calc R . . C41 C 0.5089(3) 0.12919(18) 0.2511(3) 0.0497(9) Uani 1 1 d . . . C42 C 0.4745(4) 0.0650(2) 0.2361(5) 0.0919(18) Uani 1 1 d . . . H42A H 0.5138 0.0472 0.1907 0.138 Uiso 1 1 calc R . . H42B H 0.3910 0.0620 0.2081 0.138 Uiso 1 1 calc R . . H42C H 0.4967 0.0449 0.2998 0.138 Uiso 1 1 calc R . . C43 C 0.4467(4) 0.1568(3) 0.3232(5) 0.109(2) Uani 1 1 d . . . H43A H 0.4682 0.1977 0.3331 0.163 Uiso 1 1 calc R . . H43B H 0.4693 0.1365 0.3867 0.163 Uiso 1 1 calc R . . H43C H 0.3632 0.1536 0.2954 0.163 Uiso 1 1 calc R . . C44 C 0.4716(4) 0.1583(3) 0.1479(4) 0.0931(18) Uani 1 1 d . . . H44A H 0.4924 0.1994 0.1541 0.140 Uiso 1 1 calc R . . H44B H 0.3881 0.1545 0.1210 0.140 Uiso 1 1 calc R . . H44C H 0.5107 0.1394 0.1034 0.140 Uiso 1 1 calc R . . C51 C 1.0055(3) 0.08679(17) 0.1725(3) 0.0456(8) Uani 1 1 d . . . C52 C 1.1128(3) 0.0466(2) 0.1866(4) 0.0679(13) Uani 1 1 d . . . H52A H 1.0892 0.0097 0.1529 0.102 Uiso 1 1 calc R . . H52B H 1.1466 0.0396 0.2572 0.102 Uiso 1 1 calc R . . H52C H 1.1698 0.0653 0.1585 0.102 Uiso 1 1 calc R . . C53 C 1.0421(4) 0.14524(19) 0.2256(4) 0.0755(14) Uani 1 1 d . . . H53A H 0.9745 0.1703 0.2166 0.113 Uiso 1 1 calc R . . H53B H 1.0990 0.1641 0.1975 0.113 Uiso 1 1 calc R . . H53C H 1.0758 0.1383 0.2962 0.113 Uiso 1 1 calc R . . C54 C 0.9515(4) 0.0984(2) 0.0602(3) 0.0719(13) Uani 1 1 d . . . H54A H 0.9282 0.0615 0.0261 0.108 Uiso 1 1 calc R . . H54B H 1.0085 0.1174 0.0323 0.108 Uiso 1 1 calc R . . H54C H 0.8840 0.1235 0.0517 0.108 Uiso 1 1 calc R . . C61 C 0.7619(3) -0.02458(16) 0.1408(3) 0.0482(9) Uani 1 1 d . . . C62 C 0.8448(5) -0.0667(2) 0.1056(4) 0.0815(15) Uani 1 1 d . . . H62A H 0.8849 -0.0455 0.0643 0.122 Uiso 1 1 calc R . . H62B H 0.8001 -0.0983 0.0673 0.122 Uiso 1 1 calc R . . H62C H 0.9013 -0.0825 0.1633 0.122 Uiso 1 1 calc R . . C63 C 0.6994(4) -0.0584(2) 0.2058(4) 0.0731(13) Uani 1 1 d . . . H63A H 0.7561 -0.0743 0.2633 0.110 Uiso 1 1 calc R . . H63B H 0.6549 -0.0901 0.1673 0.110 Uiso 1 1 calc R . . H63C H 0.6473 -0.0323 0.2280 0.110 Uiso 1 1 calc R . . C64 C 0.6746(4) 0.0015(2) 0.0483(3) 0.0776(14) Uani 1 1 d . . . H64A H 0.7165 0.0226 0.0083 0.116 Uiso 1 1 calc R . . H64B H 0.6224 0.0280 0.0695 0.116 Uiso 1 1 calc R . . H64C H 0.6300 -0.0299 0.0089 0.116 Uiso 1 1 calc R . . O1 O 0.69637(19) 0.11524(10) 0.46677(17) 0.0404(5) Uani 1 1 d . . . O2 O 0.9794(2) -0.01742(10) 0.33190(18) 0.0452(6) Uani 1 1 d . . . H2 H 1.0296 0.0006 0.3742 0.068 Uiso 1 1 calc R . . O3 O 0.7464(2) 0.12078(11) 0.17661(17) 0.0443(5) Uani 1 1 d . . . H3 H 0.7227 0.1392 0.1140 0.066 Uiso 1 1 calc R . . O4 O 0.82278(19) 0.07431(9) 0.34948(16) 0.0375(5) Uani 1 1 d . . . O5 O 0.6736(2) 0.15743(12) 0.9175(2) 0.0579(7) Uani 1 1 d . . . O6 O 0.6294(2) -0.17894(11) 0.4375(2) 0.0603(7) Uani 1 1 d . . . Sn1 Sn 0.699343(18) 0.137581(9) 0.315965(17) 0.03467(7) Uani 1 1 d . . . Sn2 Sn 0.872954(18) 0.043167(9) 0.231733(16) 0.03319(6) Uani 1 1 d . . . Te1 Te 0.833054(17) 0.074555(9) 0.540189(16) 0.03562(6) Uani 1 1 d . . . 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 C11 0.0395(16) 0.0363(16) 0.0358(17) -0.0018(14) 0.0080(14) 0.0028(13) C12 0.0461(18) 0.0345(16) 0.0418(19) -0.0013(14) 0.0097(15) 0.0014(14) C13 0.0450(18) 0.0458(19) 0.0436(19) 0.0014(16) 0.0164(16) -0.0007(15) C14 0.0472(19) 0.0444(19) 0.0376(18) -0.0028(15) 0.0080(15) 0.0061(15) C15 0.073(3) 0.049(2) 0.059(2) -0.0233(19) 0.020(2) -0.016(2) C16 0.063(2) 0.051(2) 0.057(2) -0.0094(19) 0.025(2) -0.0179(19) C17 0.106(4) 0.055(3) 0.062(3) -0.016(2) 0.029(3) 0.014(2) C21 0.0388(16) 0.0328(15) 0.0350(16) 0.0014(13) 0.0116(13) 0.0032(13) C22 0.0375(17) 0.0420(18) 0.049(2) 0.0005(16) 0.0081(15) 0.0038(14) C23 0.0465(19) 0.0360(17) 0.056(2) 0.0027(16) 0.0078(17) 0.0127(15) C24 0.0491(19) 0.0365(17) 0.0423(19) -0.0002(15) 0.0102(16) 0.0021(14) C25 0.0356(16) 0.0421(19) 0.060(2) -0.0039(17) 0.0071(16) -0.0001(14) C26 0.0395(16) 0.0356(17) 0.050(2) -0.0004(15) 0.0102(15) 0.0076(14) C27 0.067(3) 0.047(2) 0.101(4) -0.016(2) -0.003(3) -0.009(2) C31 0.077(3) 0.0338(18) 0.065(3) -0.0058(18) 0.027(2) -0.0066(18) C32 0.093(4) 0.072(3) 0.108(4) -0.028(3) 0.015(3) -0.035(3) C33 0.171(6) 0.045(3) 0.157(6) -0.033(3) 0.102(5) -0.009(3) C34 0.159(6) 0.043(2) 0.089(4) 0.008(3) 0.032(4) -0.016(3) C41 0.0396(17) 0.058(2) 0.050(2) 0.0059(18) 0.0086(16) 0.0074(16) C42 0.046(2) 0.087(4) 0.126(5) 0.011(3) -0.007(3) -0.018(2) C43 0.054(3) 0.173(7) 0.101(4) -0.039(4) 0.024(3) 0.024(3) C44 0.059(3) 0.127(5) 0.081(4) 0.043(3) -0.003(3) 0.006(3) C51 0.0384(17) 0.056(2) 0.0436(19) 0.0123(17) 0.0125(15) 0.0107(15) C52 0.044(2) 0.086(3) 0.078(3) 0.022(3) 0.024(2) 0.018(2) C53 0.074(3) 0.059(3) 0.099(4) 0.017(3) 0.032(3) -0.010(2) C54 0.058(2) 0.107(4) 0.058(3) 0.030(3) 0.028(2) 0.019(2) C61 0.053(2) 0.0427(19) 0.044(2) -0.0079(16) 0.0034(17) 0.0004(16) C62 0.100(4) 0.061(3) 0.085(4) -0.030(3) 0.027(3) 0.002(3) C63 0.077(3) 0.055(2) 0.087(4) -0.004(2) 0.020(3) -0.017(2) C64 0.084(3) 0.072(3) 0.057(3) -0.007(2) -0.015(2) -0.011(3) O1 0.0391(11) 0.0441(13) 0.0394(13) 0.0046(10) 0.0129(10) 0.0105(10) O2 0.0402(12) 0.0485(14) 0.0418(13) 0.0047(11) 0.0023(10) 0.0082(10) O3 0.0489(13) 0.0480(13) 0.0368(13) 0.0085(11) 0.0129(11) 0.0119(11) O4 0.0438(12) 0.0360(11) 0.0327(11) 0.0019(9) 0.0100(10) 0.0118(9) O5 0.0692(17) 0.0610(17) 0.0471(15) -0.0137(13) 0.0216(13) 0.0027(14) O6 0.0576(15) 0.0368(13) 0.079(2) -0.0091(13) 0.0048(14) 0.0012(12) Sn1 0.03679(12) 0.02857(11) 0.03875(13) 0.00061(9) 0.01026(9) 0.00226(8) Sn2 0.03363(11) 0.03392(12) 0.03107(12) 0.00072(8) 0.00695(9) 0.00493(8) Te1 0.03576(11) 0.03398(11) 0.03742(12) 0.00010(8) 0.01028(9) 0.00080(8) _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 C11 C16 1.375(5) . ? C11 C12 1.391(5) . ? C11 Te1 2.127(3) . ? C12 C13 1.387(5) . ? C12 H12 0.9300 . ? C13 C14 1.382(5) . ? C13 H13 0.9300 . ? C14 O5 1.367(4) . ? C14 C15 1.373(5) . ? C15 C16 1.385(5) . ? C15 H15 0.9300 . ? C16 H16 0.9300 . ? C17 O5 1.427(5) . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C21 C26 1.372(4) . ? C21 C22 1.389(4) . ? C21 Te1 2.112(3) . ? C22 C23 1.367(5) . ? C22 H22 0.9300 . ? C23 C24 1.394(5) . ? C23 H23 0.9300 . ? C24 O6 1.359(4) . ? C24 C25 1.377(5) . ? C25 C26 1.388(5) . ? C25 H25 0.9300 . ? C26 H26 0.9300 . ? C27 O6 1.415(5) . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C31 C34 1.502(6) . ? C31 C32 1.515(7) . ? C31 C33 1.523(6) . ? C31 Sn1 2.190(4) . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C33 H33A 0.9600 . ? C33 H33B 0.9600 . ? C33 H33C 0.9600 . ? C34 H34A 0.9600 . ? C34 H34B 0.9600 . ? C34 H34C 0.9600 . ? C41 C42 1.508(6) . ? C41 C43 1.518(6) . ? C41 C44 1.520(6) . ? C41 Sn1 2.196(4) . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C43 H43A 0.9600 . ? C43 H43B 0.9600 . ? C43 H43C 0.9600 . ? C44 H44A 0.9600 . ? C44 H44B 0.9600 . ? C44 H44C 0.9600 . ? C51 C53 1.517(6) . ? C51 C54 1.529(5) . ? C51 C52 1.529(5) . ? C51 Sn2 2.184(4) . ? C52 H52A 0.9600 . ? C52 H52B 0.9600 . ? C52 H52C 0.9600 . ? C53 H53A 0.9600 . ? C53 H53B 0.9600 . ? C53 H53C 0.9600 . ? C54 H54A 0.9600 . ? C54 H54B 0.9600 . ? C54 H54C 0.9600 . ? C61 C63 1.511(6) . ? C61 C64 1.526(6) . ? C61 C62 1.533(6) . ? C61 Sn2 2.182(4) . ? C62 H62A 0.9600 . ? C62 H62B 0.9600 . ? C62 H62C 0.9600 . ? C63 H63A 0.9600 . ? C63 H63B 0.9600 . ? C63 H63C 0.9600 . ? C64 H64A 0.9600 . ? C64 H64B 0.9600 . ? C64 H64C 0.9600 . ? O1 Te1 1.898(2) . ? O1 Sn1 2.145(2) . ? O2 Sn2 2.106(2) . ? O2 H2 0.8200 . ? O3 Sn1 2.167(2) . ? O3 Sn2 2.300(2) . ? O3 H3 0.9300 . ? O4 Sn2 1.996(2) . ? O4 Sn1 2.007(2) . ? O4 Te1 2.595(2) . ? Te1 O2 2.756(2) 3_756 ? 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 C16 C11 C12 118.3(3) . . ? C16 C11 Te1 115.5(3) . . ? C12 C11 Te1 125.8(2) . . ? C13 C12 C11 120.5(3) . . ? C13 C12 H12 119.7 . . ? C11 C12 H12 119.7 . . ? C14 C13 C12 120.2(3) . . ? C14 C13 H13 119.9 . . ? C12 C13 H13 119.9 . . ? O5 C14 C15 124.8(3) . . ? O5 C14 C13 115.7(3) . . ? C15 C14 C13 119.5(3) . . ? C14 C15 C16 120.1(3) . . ? C14 C15 H15 120.0 . . ? C16 C15 H15 120.0 . . ? C11 C16 C15 121.4(4) . . ? C11 C16 H16 119.3 . . ? C15 C16 H16 119.3 . . ? O5 C17 H17A 109.5 . . ? O5 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? O5 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C26 C21 C22 119.5(3) . . ? C26 C21 Te1 118.5(2) . . ? C22 C21 Te1 121.7(2) . . ? C23 C22 C21 120.0(3) . . ? C23 C22 H22 120.0 . . ? C21 C22 H22 120.0 . . ? C22 C23 C24 120.6(3) . . ? C22 C23 H23 119.7 . . ? C24 C23 H23 119.7 . . ? O6 C24 C25 124.6(3) . . ? O6 C24 C23 115.9(3) . . ? C25 C24 C23 119.4(3) . . ? C24 C25 C26 119.6(3) . . ? C24 C25 H25 120.2 . . ? C26 C25 H25 120.2 . . ? C21 C26 C25 120.8(3) . . ? C21 C26 H26 119.6 . . ? C25 C26 H26 119.6 . . ? O6 C27 H27A 109.5 . . ? O6 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? O6 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C34 C31 C32 110.2(4) . . ? C34 C31 C33 110.5(4) . . ? C32 C31 C33 108.1(5) . . ? C34 C31 Sn1 110.4(3) . . ? C32 C31 Sn1 108.7(3) . . ? C33 C31 Sn1 108.9(3) . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C31 C33 H33A 109.5 . . ? C31 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C31 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C31 C34 H34A 109.5 . . ? C31 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? C31 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C42 C41 C43 109.0(4) . . ? C42 C41 C44 106.8(4) . . ? C43 C41 C44 111.2(4) . . ? C42 C41 Sn1 110.4(3) . . ? C43 C41 Sn1 108.7(3) . . ? C44 C41 Sn1 110.6(3) . . ? C41 C42 H42A 109.5 . . ? C41 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C41 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C41 C43 H43A 109.5 . . ? C41 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? C41 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C41 C44 H44A 109.5 . . ? C41 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? C41 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C53 C51 C54 109.0(4) . . ? C53 C51 C52 109.7(4) . . ? C54 C51 C52 109.7(3) . . ? C53 C51 Sn2 110.8(3) . . ? C54 C51 Sn2 107.9(3) . . ? C52 C51 Sn2 109.6(3) . . ? C51 C52 H52A 109.5 . . ? C51 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? C51 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? C51 C53 H53A 109.5 . . ? C51 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? C51 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C51 C54 H54A 109.5 . . ? C51 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? C51 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? C63 C61 C64 111.2(4) . . ? C63 C61 C62 109.0(4) . . ? C64 C61 C62 108.8(4) . . ? C63 C61 Sn2 109.3(3) . . ? C64 C61 Sn2 112.1(3) . . ? C62 C61 Sn2 106.3(3) . . ? C61 C62 H62A 109.5 . . ? C61 C62 H62B 109.5 . . ? H62A C62 H62B 109.5 . . ? C61 C62 H62C 109.5 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? C61 C63 H63A 109.5 . . ? C61 C63 H63B 109.5 . . ? H63A C63 H63B 109.5 . . ? C61 C63 H63C 109.5 . . ? H63A C63 H63C 109.5 . . ? H63B C63 H63C 109.5 . . ? C61 C64 H64A 109.5 . . ? C61 C64 H64B 109.5 . . ? H64A C64 H64B 109.5 . . ? C61 C64 H64C 109.5 . . ? H64A C64 H64C 109.5 . . ? H64B C64 H64C 109.5 . . ? Te1 O1 Sn1 113.47(10) . . ? Sn2 O2 H2 109.5 . . ? Sn1 O3 Sn2 98.01(9) . . ? Sn1 O3 H3 131.0 . . ? Sn2 O3 H3 131.0 . . ? Sn2 O4 Sn1 114.83(10) . . ? Sn2 O4 Te1 151.37(10) . . ? Sn1 O4 Te1 93.79(8) . . ? C14 O5 C17 117.0(3) . . ? C24 O6 C27 118.2(3) . . ? O4 Sn1 O1 78.92(8) . . ? O4 Sn1 O3 74.72(9) . . ? O1 Sn1 O3 152.70(8) . . ? O4 Sn1 C31 114.22(14) . . ? O1 Sn1 C31 96.03(13) . . ? O3 Sn1 C31 101.10(13) . . ? O4 Sn1 C41 129.35(12) . . ? O1 Sn1 C41 95.38(12) . . ? O3 Sn1 C41 95.81(12) . . ? C31 Sn1 C41 116.43(16) . . ? O4 Sn2 O2 87.32(9) . . ? O4 Sn2 C61 116.80(12) . . ? O2 Sn2 C61 94.62(12) . . ? O4 Sn2 C51 122.73(12) . . ? O2 Sn2 C51 100.16(11) . . ? C61 Sn2 C51 118.96(15) . . ? O4 Sn2 O3 71.98(8) . . ? O2 Sn2 O3 159.23(9) . . ? C61 Sn2 O3 96.26(12) . . ? C51 Sn2 O3 89.94(11) . . ? O1 Te1 C21 97.03(11) . . ? O1 Te1 C11 89.09(11) . . ? C21 Te1 C11 100.26(12) . . ? O1 Te1 O4 70.06(8) . . ? C21 Te1 O4 84.63(10) . . ? C11 Te1 O4 159.07(10) . . ? O1 Te1 O2 172.65(8) . 3_756 ? C21 Te1 O2 83.36(10) . 3_756 ? C11 Te1 O2 83.62(10) . 3_756 ? O4 Te1 O2 117.26(7) . 3_756 ? _diffrn_measured_fraction_theta_max 0.986 _diffrn_reflns_theta_full 27.53 _diffrn_measured_fraction_theta_full 0.986 _refine_diff_density_max 0.831 _refine_diff_density_min -0.547 _refine_diff_density_rms 0.086