data_c:\x-ray\helix\h07kcm15\maxus2\h07kcm15 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C28 H70 N2 O12 S4 Sn' _chemical_formula_weight 873.79 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' '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 9.9400(1) _cell_length_b 11.7380(1) _cell_length_c 18.8450(2) _cell_angle_alpha 96.744(1) _cell_angle_beta 95.758(1) _cell_angle_gamma 104.114(1) _cell_volume 2098.55(4) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 32012 _cell_measurement_theta_min 2.910 _cell_measurement_theta_max 30.034 _exptl_crystal_description Block _exptl_crystal_colour Colourless _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.25 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.383 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 924 _exptl_absorpt_coefficient_mu 0.861 _exptl_absorpt_correction_type Multi-Scan _exptl_absorpt_correction_T_min 0.75 _exptl_absorpt_correction_T_max 0.78 _exptl_absorpt_process_details ; ? ; _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 '95mm CCD camera on \k-goniostat' _diffrn_measurement_method CCD _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 43515 _diffrn_reflns_av_R_equivalents 0.0438 _diffrn_reflns_av_sigmaI/netI 0.0505 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 3.52 _diffrn_reflns_theta_max 30.00 _reflns_number_total 12169 _reflns_number_gt 9697 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Bruker AXS BV, 1997-2004)' _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_data_reduction 'Denzo & Scalepack (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEX (P.McArdle, 1995)' _computing_publication_material 'SHELXL-97/2 (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^)+(0.0359P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0040(4) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 12169 _refine_ls_number_parameters 431 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0495 _refine_ls_R_factor_gt 0.0309 _refine_ls_wR_factor_ref 0.0722 _refine_ls_wR_factor_gt 0.0672 _refine_ls_goodness_of_fit_ref 1.032 _refine_ls_restrained_S_all 1.032 _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 Sn1 Sn 0.240777(10) 0.755550(8) 0.244487(5) 0.02087(5) Uani 1 1 d . . . S1 S 0.30799(4) 0.70372(3) 0.42166(2) 0.02383(9) Uani 1 1 d . . . S2 S 0.18238(4) 0.78753(3) 0.06095(2) 0.02425(9) Uani 1 1 d . . . S3 S 0.47858(4) 0.60201(3) 0.18726(2) 0.02458(9) Uani 1 1 d . . . S4 S 0.07472(4) 0.96837(3) 0.31653(2) 0.02516(9) Uani 1 1 d . . . O1 O 0.34207(11) 0.71993(9) 0.34763(6) 0.0254(2) Uani 1 1 d . . . O2 O 0.41489(12) 0.66203(11) 0.46024(6) 0.0332(3) Uani 1 1 d . . . O3 O 0.16668(12) 0.63246(11) 0.42074(7) 0.0331(3) Uani 1 1 d . . . O4 O 0.14065(11) 0.77956(10) 0.13405(6) 0.0282(3) Uani 1 1 d . . . O5 O 0.07883(12) 0.82240(11) 0.01494(6) 0.0336(3) Uani 1 1 d . . . O6 O 0.32411(12) 0.85860(11) 0.06313(6) 0.0325(3) Uani 1 1 d . . . O7 O 0.34185(12) 0.63164(10) 0.18892(6) 0.0291(3) Uani 1 1 d . . . O8 O 0.59477(13) 0.70560(11) 0.20527(8) 0.0448(3) Uani 1 1 d . . . O9 O 0.47574(13) 0.52800(10) 0.12014(6) 0.0330(3) Uani 1 1 d . . . O10 O 0.13327(12) 0.86420(10) 0.31474(6) 0.0313(3) Uani 1 1 d . . . O11 O 0.16671(15) 1.06820(11) 0.29350(7) 0.0431(3) Uani 1 1 d . . . O12 O 0.03079(13) 0.99351(10) 0.38613(6) 0.0331(3) Uani 1 1 d . . . N1 N 0.18709(13) 0.31421(11) 0.49354(7) 0.0215(3) Uani 1 1 d . . . N2 N 0.31635(13) 0.19424(11) 0.02055(7) 0.0227(3) Uani 1 1 d . . . C1 C 0.3170(2) 0.84705(16) 0.46573(9) 0.0361(4) Uani 1 1 d . . . H1A H 0.2973 0.8423 0.5154 0.054 Uiso 1 1 calc R . . H1B H 0.2478 0.8797 0.4401 0.054 Uiso 1 1 calc R . . H1C H 0.4109 0.8987 0.4662 0.054 Uiso 1 1 calc R . . C2 C 0.1790(2) 0.64042(16) 0.02535(10) 0.0414(5) Uani 1 1 d . . . H2A H 0.0857 0.5883 0.0258 0.062 Uiso 1 1 calc R . . H2B H 0.2487 0.6134 0.0548 0.062 Uiso 1 1 calc R . . H2C H 0.2008 0.6381 -0.0243 0.062 Uiso 1 1 calc R . . C3 C 0.4847(2) 0.51391(18) 0.25588(10) 0.0464(5) Uani 1 1 d . . . H3A H 0.5728 0.4902 0.2588 0.070 Uiso 1 1 calc R . . H3B H 0.4058 0.4429 0.2452 0.070 Uiso 1 1 calc R . . H3C H 0.4790 0.5594 0.3020 0.070 Uiso 1 1 calc R . . C4 C -0.0745(2) 0.9223(2) 0.25165(11) 0.0542(6) Uani 1 1 d . . . H4A H -0.1194 0.9876 0.2489 0.081 Uiso 1 1 calc R . . H4B H -0.1403 0.8541 0.2652 0.081 Uiso 1 1 calc R . . H4C H -0.0473 0.8996 0.2046 0.081 Uiso 1 1 calc R . . C5 C 0.05541(17) 0.62003(14) 0.24362(9) 0.0273(3) Uani 1 1 d . . . H5A H 0.0325 0.6215 0.2936 0.033 Uiso 1 1 calc R . . H5B H -0.0215 0.6403 0.2144 0.033 Uiso 1 1 calc R . . C6 C 0.05621(17) 0.49353(14) 0.21518(10) 0.0315(4) Uani 1 1 d . . . H6A H 0.1347 0.4725 0.2427 0.038 Uiso 1 1 calc R . . H6B H 0.0720 0.4888 0.1640 0.038 Uiso 1 1 calc R . . C7 C -0.08075(18) 0.40414(15) 0.22129(11) 0.0358(4) Uani 1 1 d . . . H7A H -0.0984 0.4113 0.2722 0.043 Uiso 1 1 calc R . . H7B H -0.1587 0.4234 0.1922 0.043 Uiso 1 1 calc R . . C8 C -0.0786(2) 0.27676(16) 0.19571(11) 0.0409(5) Uani 1 1 d . . . H8A H -0.0674 0.2679 0.1444 0.061 Uiso 1 1 calc R . . H8B H -0.1668 0.2226 0.2027 0.061 Uiso 1 1 calc R . . H8C H -0.0004 0.2578 0.2236 0.061 Uiso 1 1 calc R . . C9 C 0.40019(16) 0.90984(14) 0.23990(9) 0.0254(3) Uani 1 1 d . . . H9A H 0.4440 0.8959 0.1959 0.030 Uiso 1 1 calc R . . H9B H 0.3557 0.9757 0.2343 0.030 Uiso 1 1 calc R . . C10 C 0.51552(17) 0.95059(15) 0.30348(10) 0.0327(4) Uani 1 1 d . . . H10A H 0.5674 0.8889 0.3069 0.039 Uiso 1 1 calc R . . H10B H 0.4731 0.9600 0.3484 0.039 Uiso 1 1 calc R . . C11 C 0.61768(18) 1.06778(15) 0.29682(10) 0.0346(4) Uani 1 1 d . . . H11A H 0.7037 1.0783 0.3310 0.041 Uiso 1 1 calc R . . H11B H 0.6441 1.0633 0.2475 0.041 Uiso 1 1 calc R . . C12 C 0.5612(2) 1.17576(16) 0.31154(11) 0.0433(5) Uani 1 1 d . . . H12A H 0.4718 1.1635 0.2808 0.065 Uiso 1 1 calc R . . H12B H 0.6282 1.2460 0.3010 0.065 Uiso 1 1 calc R . . H12C H 0.5469 1.1876 0.3623 0.065 Uiso 1 1 calc R . . C13 C 0.13985(17) 0.21120(14) 0.53552(9) 0.0274(4) Uani 1 1 d . . . H13A H 0.0785 0.2335 0.5700 0.033 Uiso 1 1 calc R . . H13B H 0.0831 0.1416 0.5013 0.033 Uiso 1 1 calc R . . C14 C 0.2567(2) 0.17513(18) 0.57657(12) 0.0446(5) Uani 1 1 d . . . H14A H 0.2173 0.1087 0.6017 0.067 Uiso 1 1 calc R . . H14B H 0.3120 0.2425 0.6118 0.067 Uiso 1 1 calc R . . H14C H 0.3169 0.1506 0.5429 0.067 Uiso 1 1 calc R . . C15 C 0.26916(17) 0.27477(14) 0.43631(9) 0.0268(3) Uani 1 1 d . . . H15A H 0.2127 0.1981 0.4087 0.032 Uiso 1 1 calc R . . H15B H 0.3554 0.2605 0.4605 0.032 Uiso 1 1 calc R . . C16 C 0.3102(2) 0.36112(17) 0.38360(10) 0.0379(4) Uani 1 1 d . . . H16A H 0.3627 0.3282 0.3487 0.057 Uiso 1 1 calc R . . H16B H 0.3688 0.4368 0.4099 0.057 Uiso 1 1 calc R . . H16C H 0.2257 0.3742 0.3580 0.057 Uiso 1 1 calc R . . C17 C 0.05908(16) 0.34812(14) 0.46057(9) 0.0254(3) Uani 1 1 d . . . H17A H 0.0040 0.3655 0.4995 0.030 Uiso 1 1 calc R . . H17B H 0.0909 0.4220 0.4396 0.030 Uiso 1 1 calc R . . C18 C -0.03637(19) 0.25443(16) 0.40244(10) 0.0350(4) Uani 1 1 d . . . H18A H -0.1157 0.2835 0.3842 0.053 Uiso 1 1 calc R . . H18B H -0.0711 0.1814 0.4228 0.053 Uiso 1 1 calc R . . H18C H 0.0161 0.2379 0.3628 0.053 Uiso 1 1 calc R . . C19 C 0.28032(17) 0.42253(14) 0.54234(9) 0.0269(3) Uani 1 1 d . . . H19A H 0.3684 0.4037 0.5601 0.032 Uiso 1 1 calc R . . H19B H 0.3047 0.4880 0.5134 0.032 Uiso 1 1 calc R . . C20 C 0.2164(2) 0.46557(18) 0.60659(10) 0.0407(5) Uani 1 1 d . . . H20A H 0.2829 0.5356 0.6350 0.061 Uiso 1 1 calc R . . H20B H 0.1945 0.4024 0.6366 0.061 Uiso 1 1 calc R . . H20C H 0.1303 0.4866 0.5897 0.061 Uiso 1 1 calc R . . C21 C 0.23453(18) 0.22263(15) 0.08081(9) 0.0298(4) Uani 1 1 d . . . H21A H 0.1472 0.2390 0.0596 0.036 Uiso 1 1 calc R . . H21B H 0.2904 0.2959 0.1122 0.036 Uiso 1 1 calc R . . C22 C 0.1967(2) 0.12444(19) 0.12705(11) 0.0451(5) Uani 1 1 d . . . H22A H 0.1446 0.1494 0.1648 0.068 Uiso 1 1 calc R . . H22B H 0.2825 0.1087 0.1493 0.068 Uiso 1 1 calc R . . H22C H 0.1388 0.0521 0.0968 0.068 Uiso 1 1 calc R . . C23 C 0.35844(17) 0.30335(14) -0.01691(9) 0.0267(3) Uani 1 1 d . . . H23A H 0.4168 0.3697 0.0191 0.032 Uiso 1 1 calc R . . H23B H 0.4173 0.2861 -0.0540 0.032 Uiso 1 1 calc R . . C24 C 0.23870(19) 0.34371(16) -0.05241(10) 0.0370(4) Uani 1 1 d . . . H24A H 0.2759 0.4140 -0.0748 0.055 Uiso 1 1 calc R . . H24B H 0.1809 0.3635 -0.0161 0.055 Uiso 1 1 calc R . . H24C H 0.1816 0.2798 -0.0894 0.055 Uiso 1 1 calc R . . C25 C 0.44724(17) 0.16066(15) 0.04903(9) 0.0284(4) Uani 1 1 d . . . H25A H 0.5033 0.1531 0.0090 0.034 Uiso 1 1 calc R . . H25B H 0.4191 0.0817 0.0648 0.034 Uiso 1 1 calc R . . C26 C 0.5396(2) 0.24735(18) 0.11126(11) 0.0432(5) Uani 1 1 d . . . H26A H 0.6214 0.2188 0.1259 0.065 Uiso 1 1 calc R . . H26B H 0.4865 0.2537 0.1520 0.065 Uiso 1 1 calc R . . H26C H 0.5704 0.3255 0.0960 0.065 Uiso 1 1 calc R . . C27 C 0.22439(17) 0.08925(14) -0.03210(9) 0.0282(4) Uani 1 1 d . . . H27A H 0.1992 0.0202 -0.0060 0.034 Uiso 1 1 calc R . . H27B H 0.1366 0.1092 -0.0490 0.034 Uiso 1 1 calc R . . C28 C 0.2907(2) 0.05344(17) -0.09719(10) 0.0387(4) Uani 1 1 d . . . H28A H 0.2251 -0.0145 -0.1281 0.058 Uiso 1 1 calc R . . H28B H 0.3766 0.0314 -0.0812 0.058 Uiso 1 1 calc R . . H28C H 0.3134 0.1202 -0.1244 0.058 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 0.01960(6) 0.01766(7) 0.02333(7) 0.00180(4) 0.00395(4) 0.00113(4) S1 0.02348(19) 0.0239(2) 0.0251(2) 0.00720(16) 0.00590(16) 0.00532(16) S2 0.02136(19) 0.0244(2) 0.0250(2) 0.00372(16) 0.00166(16) 0.00272(16) S3 0.0245(2) 0.0237(2) 0.0256(2) 0.00273(16) 0.00576(16) 0.00590(16) S4 0.0290(2) 0.0226(2) 0.0246(2) 0.00199(15) 0.00477(16) 0.00817(17) O1 0.0255(6) 0.0245(6) 0.0267(6) 0.0055(5) 0.0067(5) 0.0056(5) O2 0.0302(6) 0.0367(7) 0.0363(7) 0.0161(5) 0.0040(5) 0.0104(5) O3 0.0256(6) 0.0366(7) 0.0370(7) 0.0102(5) 0.0105(5) 0.0029(5) O4 0.0229(6) 0.0332(6) 0.0276(6) 0.0065(5) 0.0037(5) 0.0043(5) O5 0.0294(6) 0.0377(7) 0.0338(7) 0.0125(5) -0.0004(5) 0.0075(5) O6 0.0226(6) 0.0373(7) 0.0346(7) 0.0050(5) 0.0062(5) 0.0012(5) O7 0.0272(6) 0.0284(6) 0.0318(6) 0.0003(5) 0.0059(5) 0.0089(5) O8 0.0290(7) 0.0371(7) 0.0583(9) -0.0068(6) 0.0089(6) -0.0053(6) O9 0.0403(7) 0.0291(6) 0.0302(6) 0.0001(5) 0.0116(5) 0.0092(5) O10 0.0372(7) 0.0270(6) 0.0338(7) 0.0044(5) 0.0085(5) 0.0146(5) O11 0.0649(9) 0.0268(7) 0.0376(7) 0.0082(5) 0.0211(7) 0.0045(6) O12 0.0412(7) 0.0266(6) 0.0309(6) 0.0003(5) 0.0135(5) 0.0063(5) N1 0.0205(6) 0.0193(6) 0.0237(7) 0.0031(5) 0.0035(5) 0.0031(5) N2 0.0237(7) 0.0227(7) 0.0224(7) 0.0037(5) 0.0057(5) 0.0063(5) C1 0.0482(11) 0.0326(10) 0.0270(9) 0.0002(7) 0.0052(8) 0.0115(9) C2 0.0533(12) 0.0299(10) 0.0369(10) -0.0033(8) -0.0027(9) 0.0106(9) C3 0.0637(14) 0.0515(12) 0.0323(10) 0.0138(9) 0.0058(10) 0.0275(11) C4 0.0420(11) 0.0766(16) 0.0430(12) -0.0072(11) -0.0091(9) 0.0271(11) C5 0.0243(8) 0.0238(8) 0.0300(9) 0.0014(7) 0.0055(7) -0.0007(7) C6 0.0298(9) 0.0258(9) 0.0367(10) 0.0024(7) 0.0082(8) 0.0023(7) C7 0.0302(9) 0.0264(9) 0.0455(11) -0.0009(8) 0.0086(8) -0.0016(7) C8 0.0399(11) 0.0267(9) 0.0501(12) 0.0013(8) 0.0084(9) -0.0014(8) C9 0.0250(8) 0.0229(8) 0.0253(8) 0.0047(6) 0.0036(6) -0.0001(7) C10 0.0292(9) 0.0271(9) 0.0356(10) 0.0058(7) -0.0038(7) -0.0013(7) C11 0.0269(9) 0.0290(9) 0.0401(10) -0.0009(8) -0.0016(8) -0.0020(7) C12 0.0441(11) 0.0318(10) 0.0466(12) -0.0013(9) -0.0045(9) 0.0037(9) C13 0.0239(8) 0.0255(8) 0.0319(9) 0.0088(7) 0.0048(7) 0.0019(7) C14 0.0342(10) 0.0452(12) 0.0576(13) 0.0313(10) 0.0040(9) 0.0062(9) C15 0.0279(8) 0.0251(8) 0.0290(8) 0.0023(7) 0.0086(7) 0.0087(7) C16 0.0435(11) 0.0379(10) 0.0373(10) 0.0102(8) 0.0196(9) 0.0123(9) C17 0.0226(8) 0.0248(8) 0.0302(8) 0.0039(7) 0.0034(7) 0.0090(7) C18 0.0314(9) 0.0328(10) 0.0371(10) 0.0003(8) -0.0069(8) 0.0081(8) C19 0.0245(8) 0.0229(8) 0.0299(9) 0.0013(7) 0.0014(7) 0.0020(7) C20 0.0387(10) 0.0418(11) 0.0366(10) -0.0111(8) -0.0006(8) 0.0108(9) C21 0.0328(9) 0.0360(10) 0.0265(8) 0.0067(7) 0.0110(7) 0.0158(8) C22 0.0521(12) 0.0580(13) 0.0391(11) 0.0223(9) 0.0243(10) 0.0263(11) C23 0.0273(8) 0.0214(8) 0.0298(8) 0.0046(6) 0.0069(7) 0.0016(7) C24 0.0389(10) 0.0333(10) 0.0438(11) 0.0171(8) 0.0108(8) 0.0115(8) C25 0.0249(8) 0.0306(9) 0.0316(9) 0.0035(7) 0.0045(7) 0.0110(7) C26 0.0361(10) 0.0448(12) 0.0445(11) -0.0006(9) -0.0099(9) 0.0123(9) C27 0.0293(8) 0.0212(8) 0.0306(9) 0.0031(7) 0.0008(7) 0.0015(7) C28 0.0471(11) 0.0359(10) 0.0311(9) -0.0064(8) -0.0018(8) 0.0148(9) _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 C9 2.1126(15) . ? Sn1 C5 2.1176(15) . ? Sn1 O7 2.1880(11) . ? Sn1 O1 2.2294(11) . ? Sn1 O10 2.2524(11) . ? Sn1 O4 2.2936(11) . ? S1 O2 1.4419(12) . ? S1 O3 1.4462(12) . ? S1 O1 1.4910(11) . ? S1 C1 1.7640(17) . ? S2 O5 1.4452(12) . ? S2 O6 1.4455(12) . ? S2 O4 1.4848(12) . ? S2 C2 1.7687(18) . ? S3 O8 1.4378(12) . ? S3 O9 1.4415(12) . ? S3 O7 1.4852(11) . ? S3 C3 1.7534(19) . ? S4 O11 1.4402(13) . ? S4 O12 1.4439(12) . ? S4 O10 1.4752(11) . ? S4 C4 1.7545(19) . ? N1 C15 1.5121(19) . ? N1 C19 1.5168(19) . ? N1 C17 1.5199(19) . ? N1 C13 1.527(2) . ? N2 C21 1.5136(19) . ? N2 C25 1.515(2) . ? N2 C27 1.5232(19) . ? N2 C23 1.525(2) . ? C5 C6 1.520(2) . ? C6 C7 1.527(2) . ? C7 C8 1.522(2) . ? C9 C10 1.517(2) . ? C10 C11 1.525(2) . ? C11 C12 1.515(2) . ? C13 C14 1.504(2) . ? C15 C16 1.515(2) . ? C17 C18 1.520(2) . ? C19 C20 1.514(2) . ? C21 C22 1.523(2) . ? C23 C24 1.509(2) . ? C25 C26 1.517(2) . ? C27 C28 1.514(2) . ? 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 C9 Sn1 C5 169.38(6) . . ? C9 Sn1 O7 95.59(5) . . ? C5 Sn1 O7 92.16(5) . . ? C9 Sn1 O1 94.03(5) . . ? C5 Sn1 O1 93.60(5) . . ? O7 Sn1 O1 87.25(4) . . ? C9 Sn1 O10 90.09(5) . . ? C5 Sn1 O10 83.14(5) . . ? O7 Sn1 O10 171.12(4) . . ? O1 Sn1 O10 85.54(4) . . ? C9 Sn1 O4 87.50(5) . . ? C5 Sn1 O4 85.45(5) . . ? O7 Sn1 O4 88.50(4) . . ? O1 Sn1 O4 175.60(3) . . ? O10 Sn1 O4 98.60(4) . . ? O2 S1 O3 114.72(7) . . ? O2 S1 O1 109.81(7) . . ? O3 S1 O1 112.04(7) . . ? O2 S1 C1 106.92(8) . . ? O3 S1 C1 107.12(9) . . ? O1 S1 C1 105.66(8) . . ? O5 S2 O6 114.48(7) . . ? O5 S2 O4 110.67(7) . . ? O6 S2 O4 112.37(7) . . ? O5 S2 C2 106.75(8) . . ? O6 S2 C2 106.96(9) . . ? O4 S2 C2 104.91(8) . . ? O8 S3 O9 115.82(8) . . ? O8 S3 O7 112.20(7) . . ? O9 S3 O7 109.27(7) . . ? O8 S3 C3 107.78(10) . . ? O9 S3 C3 107.10(8) . . ? O7 S3 C3 103.84(9) . . ? O11 S4 O12 114.69(7) . . ? O11 S4 O10 112.38(8) . . ? O12 S4 O10 109.75(7) . . ? O11 S4 C4 106.71(11) . . ? O12 S4 C4 108.38(9) . . ? O10 S4 C4 104.28(9) . . ? S1 O1 Sn1 138.75(7) . . ? S2 O4 Sn1 137.04(7) . . ? S3 O7 Sn1 142.25(7) . . ? S4 O10 Sn1 141.81(7) . . ? C15 N1 C19 108.74(12) . . ? C15 N1 C17 111.57(12) . . ? C19 N1 C17 108.07(12) . . ? C15 N1 C13 108.04(12) . . ? C19 N1 C13 111.38(12) . . ? C17 N1 C13 109.08(12) . . ? C21 N2 C25 111.40(12) . . ? C21 N2 C27 108.67(12) . . ? C25 N2 C27 108.24(12) . . ? C21 N2 C23 108.80(12) . . ? C25 N2 C23 108.93(12) . . ? C27 N2 C23 110.81(12) . . ? C6 C5 Sn1 117.57(11) . . ? C5 C6 C7 112.15(14) . . ? C8 C7 C6 112.48(15) . . ? C10 C9 Sn1 117.06(11) . . ? C9 C10 C11 112.22(15) . . ? C12 C11 C10 114.32(16) . . ? C14 C13 N1 114.88(13) . . ? N1 C15 C16 115.30(13) . . ? C18 C17 N1 114.92(13) . . ? C20 C19 N1 114.72(13) . . ? N2 C21 C22 114.23(14) . . ? C24 C23 N2 115.43(13) . . ? N2 C25 C26 115.10(14) . . ? C28 C27 N2 114.69(14) . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 30.00 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 0.521 _refine_diff_density_min -0.863 _refine_diff_density_rms 0.128