data_global _audit_creation_method 'APEX2 v2009.7-0' _publ_requested_journal ? _publ_contact_author_name ? _publ_contact_author_address ; ; _publ_contact_author_email ? _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_section_title ; ; _publ_section_abstract ; ; _publ_section_references ; ; _publ_section_comment ; ; data_I _audit_creation_method 'APEX2 v2009.7-0' _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C27 H27 Br N2 O6 S Si' _chemical_formula_iupac ? _chemical_formula_weight 615.57 _chemical_melting_point ? _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _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 15.3551(14) _cell_length_b 21.005(2) _cell_length_c 17.9066(16) _cell_angle_alpha 90 _cell_angle_beta 92.464(4) _cell_angle_gamma 90 _cell_volume 5770.1(9) _cell_formula_units_Z 8 _cell_measurement_reflns_used 4542 _cell_measurement_theta_min 3.5677 _cell_measurement_theta_max 66.0378 _cell_measurement_temperature 100.(2) _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_diffrn 1.417 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2528 _exptl_absorpt_coefficient_mu 3.377 _exptl_absorpt_correction_type ? _exptl_absorpt_process_details ; ; _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ; _diffrn_ambient_temperature 100.(2) _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_source ? _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean 11.2040 _diffrn_reflns_number 19984 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0449 _diffrn_reflns_theta_min 3.24 _diffrn_reflns_theta_max 66.56 _diffrn_reflns_theta_full 66.56 _diffrn_measured_fraction_theta_max 0.975 _diffrn_measured_fraction_theta_full 0.975 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 21 _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. ; _reflns_number_total 20114 _reflns_number_gt 16113 _reflns_threshold_expression >2sigma(I) _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_R_factor_all 0.1562 _refine_ls_R_factor_gt 0.0814 _refine_ls_wR_factor_gt 0.2100 _refine_ls_wR_factor_ref 0.3271 _refine_ls_goodness_of_fit_ref 1.450 _refine_ls_restrained_S_all 1.450 _refine_ls_number_reflns 20114 _refine_ls_number_parameters 686 _refine_ls_number_restraints 0 _refine_ls_hydrogen_treatment mixed _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0945P)^2^+47.8091P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 3.190 _refine_diff_density_min -1.653 _refine_ls_extinction_method none _refine_ls_extinction_coef ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _computing_data_collection ? _computing_cell_refinement 'SAINT V7.66A (Bruker AXS, 2009)' _computing_data_reduction 'SAINT V7.66A (Bruker AXS, 2009)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics ? _computing_publication_material ? loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Br Br1_1 0.36472(6) 0.01265(4) 0.46045(5) 0.0350(2) Uani d . 1 . . C C1_1 0.4949(5) 0.1023(4) 0.2945(4) 0.0237(17) Uani d . 1 . . C C2_1 0.4964(5) 0.0827(4) 0.2145(4) 0.0238(16) Uani d . 1 . . C C3_1 0.5360(5) 0.1293(4) 0.1774(5) 0.0300(18) Uani d . 1 . . H H3A_1 0.5466 0.1281 0.1255 0.036 Uiso calc R 1 . . C C4_1 0.5605(5) 0.1811(4) 0.2266(5) 0.031(2) Uani d . 1 . . C C5_1 0.4026(5) 0.1085(4) 0.3249(4) 0.0228(16) Uani d . 1 . . H H5D_1 0.3782 0.0644 0.328 0.027 Uiso calc R 1 . . C C6_1 0.4002(5) 0.1372(4) 0.4028(5) 0.0252(17) Uani d . 1 . . C C7_1 0.4111(5) 0.2035(4) 0.4117(4) 0.0241(16) Uani d . 1 . . H H7B_1 0.4237 0.2289 0.3696 0.029 Uiso calc R 1 . . C C8_1 0.4037(5) 0.2320(4) 0.4800(5) 0.032(2) Uani d . 1 . . H H8A_1 0.4109 0.2768 0.4847 0.038 Uiso calc R 1 . . C C9_1 0.3859(5) 0.1959(4) 0.5424(5) 0.033(2) Uani d . 1 . . H H9A_1 0.3806 0.2158 0.5896 0.04 Uiso calc R 1 . . C C10_1 0.3757(5) 0.1299(4) 0.5352(5) 0.033(2) Uani d . 1 . . H H10A_1 0.3636 0.1045 0.5774 0.039 Uiso calc R 1 . . C C11_1 0.3835(5) 0.1023(4) 0.4657(4) 0.0256(17) Uani d . 1 . . C C12_1 0.4313(5) -0.0564(4) 0.2303(4) 0.0262(17) Uani d . 1 . . C C13_1 0.3524(5) -0.0606(4) 0.2665(5) 0.0296(18) Uani d . 1 . . H H13A_1 0.3085 -0.0295 0.2568 0.035 Uiso calc R 1 . . C C14_1 0.3373(7) -0.1103(5) 0.3169(5) 0.045(2) Uani d . 1 . . H H14A_1 0.2832 -0.1133 0.3403 0.054 Uiso calc R 1 . . C C15_1 0.4021(8) -0.1547(5) 0.3320(5) 0.051(3) Uani d . 1 . . H H15A_1 0.3932 -0.1873 0.3677 0.061 Uiso calc R 1 . . C C16_1 0.4780(7) -0.1522(5) 0.2962(7) 0.052(3) Uani d . 1 . . H H16A_1 0.5211 -0.184 0.3057 0.063 Uiso calc R 1 . . C C17_1 0.4936(5) -0.1039(4) 0.2463(5) 0.034(2) Uani d . 1 . . H H17A_1 0.5476 -0.1028 0.2223 0.041 Uiso calc R 1 . . C C18_1 0.3526(5) 0.0317(4) 0.1098(5) 0.0309(18) Uani d . 1 . . H H18A_1 0.3638 0.069 0.0787 0.046 Uiso calc R 1 . . H H18B_1 0.307 0.0419 0.1445 0.046 Uiso calc R 1 . . H H18C_1 0.3334 -0.0039 0.0777 0.046 Uiso calc R 1 . . C C19_1 0.5438(5) -0.0145(4) 0.1032(4) 0.0280(17) Uani d . 1 . . H H19A_1 0.5285 -0.0544 0.0775 0.042 Uiso calc R 1 . . H H19B_1 0.5975 -0.0205 0.134 0.042 Uiso calc R 1 . . H H19C_1 0.5529 0.0189 0.0661 0.042 Uiso calc R 1 . . C C20_1 0.2064(5) 0.1909(4) 0.3395(5) 0.0259(17) Uani d . 1 . . C C21_1 0.1973(5) 0.2543(4) 0.3192(5) 0.0299(18) Uani d . 1 . . H H21A_1 0.206 0.2675 0.2693 0.036 Uiso calc R 1 . . C C22_1 0.1751(5) 0.2984(4) 0.3731(5) 0.035(2) Uani d . 1 . . H H22A_1 0.1665 0.342 0.3606 0.042 Uiso calc R 1 . . C C23_1 0.1661(5) 0.2771(4) 0.4449(5) 0.032(2) Uani d . 1 . . C C24_1 0.1764(5) 0.2138(4) 0.4668(5) 0.0290(17) Uani d . 1 . . H H24A_1 0.1719 0.201 0.5174 0.035 Uiso calc R 1 . . C C25_1 0.1939(5) 0.1698(4) 0.4102(4) 0.0224(16) Uani d . 1 . . H H25A_1 0.1969 0.1255 0.4212 0.027 Uiso calc R 1 . . C C26_1 0.5524(5) 0.0602(4) 0.3479(4) 0.0281(18) Uani d . 1 . . H H26A_1 0.5534 0.0792 0.3985 0.034 Uiso calc R 1 . . H H26B_1 0.5253 0.0176 0.351 0.034 Uiso calc R 1 . . C C27_1 0.6459(5) 0.0523(5) 0.3243(5) 0.039(2) Uani d . 1 . . H H27A_1 0.6461 0.0293 0.2767 0.059 Uiso calc R 1 . . H H27B_1 0.6793 0.0283 0.3627 0.059 Uiso calc R 1 . . H H27C_1 0.6724 0.0944 0.3183 0.059 Uiso calc R 1 . . N N1_1 0.1504(5) 0.3242(4) 0.5039(5) 0.0401(18) Uani d . 1 . . N N2_1 0.3482(4) 0.1430(2) 0.2696(4) 0.0247(14) Uani d . 1 . . H H2_1 0.3727 0.1668 0.236 0.03 Uiso calc R 1 . . O O1_1 0.5990(4) 0.2302(2) 0.2147(4) 0.0445(17) Uani d . 1 . . O O2_1 0.5349(2) 0.1664(2) 0.2960(2) 0.0291(13) Uani d . 1 . . O O3_1 0.2233(2) 0.0744(2) 0.2928(2) 0.0286(11) Uani d . 1 . . O O4_1 0.2092(4) 0.1614(2) 0.2005(2) 0.0345(13) Uani d . 1 . . O O5_1 0.1790(5) 0.3133(2) 0.5670(4) 0.0483(17) Uani d . 1 . . O O6_1 0.1086(5) 0.3722(2) 0.4847(4) 0.062(2) Uani d . 1 . . S S1_1 0.24295(12) 0.13760(9) 0.27001(10) 0.0238(4) Uani d . 1 . . Si Si1_1 0.45416(12) 0.00917(9) 0.16346(11) 0.0219(4) Uani d . 1 . . Br Br1_2 0.15485(6) 0.01575(4) 0.95451(5) 0.0374(2) Uani d . 1 . . C C1_2 0.0057(5) 0.1064(4) 0.7937(5) 0.0252(17) Uani d . 1 . . C C2_2 -0.0069(5) 0.0856(2) 0.7136(4) 0.0242(16) Uani d . 1 . . C C3_2 -0.0528(5) 0.1305(4) 0.6777(4) 0.0246(16) Uani d . 1 . . H H3A_2 -0.0714 0.1283 0.6265 0.03 Uiso calc R 1 . . C C4_2 -0.0712(5) 0.1841(4) 0.7270(5) 0.0279(18) Uani d . 1 . . C C5_2 0.1040(5) 0.1124(4) 0.8207(4) 0.0222(16) Uani d . 1 . . H H5D_2 0.1287 0.0683 0.8229 0.027 Uiso calc R 1 . . C C6_2 0.1192(5) 0.1415(4) 0.8973(4) 0.0237(16) Uani d . 1 . . C C7_2 0.1139(5) 0.2079(4) 0.9051(4) 0.0252(16) Uani d . 1 . . H H7B_2 0.097 0.2334 0.8632 0.03 Uiso calc R 1 . . C C8_2 0.1333(5) 0.2365(4) 0.9745(5) 0.0311(18) Uani d . 1 . . H H8A_2 0.1294 0.2814 0.9796 0.037 Uiso calc R 1 . . C C9_2 0.1581(5) 0.1997(4) 1.0355(5) 0.040(2) Uani d . 1 . . H H9A_2 0.1721 0.2194 1.0822 0.048 Uiso calc R 1 . . C C10_2 0.1627(5) 0.1336(4) 1.0290(5) 0.034(2) Uani d . 1 . . H H10A_2 0.1795 0.1079 1.0708 0.041 Uiso calc R 1 . . C C11_2 0.1420(5) 0.1061(4) 0.9599(4) 0.0276(17) Uani d . 1 . . C C12_2 0.0652(5) -0.0507(4) 0.7349(4) 0.0266(17) Uani d . 1 . . C C13_2 0.0033(5) -0.0920(4) 0.7646(5) 0.037(2) Uani d . 1 . . H H13A_2 -0.0561 -0.0885 0.7481 0.045 Uiso calc R 1 . . C C14_2 0.0274(5) -0.1370(4) 0.8168(5) 0.042(2) Uani d . 1 . . H H14A_2 -0.0157 -0.1648 0.835 0.05 Uiso calc R 1 . . C C15_2 0.1127(7) -0.1430(4) 0.8436(5) 0.041(2) Uani d . 1 . . H H15A_2 0.1279 -0.1734 0.8812 0.049 Uiso calc R 1 . . C C16_2 0.1763(5) -0.1037(4) 0.8145(5) 0.034(2) Uani d . 1 . . H H16A_2 0.2357 -0.1082 0.8309 0.041 Uiso calc R 1 . . C C17_2 0.1521(5) -0.0580(4) 0.7615(4) 0.0284(17) Uani d . 1 . . H H17A_2 0.1955 -0.0309 0.7427 0.034 Uiso calc R 1 . . C C18_2 0.1281(5) 0.0347(4) 0.6100(5) 0.0285(17) Uani d . 1 . . H H18A_2 0.1449 -0.0012 0.5787 0.043 Uiso calc R 1 . . H H18B_2 0.177 0.0462 0.6442 0.043 Uiso calc R 1 . . H H18C_2 0.1124 0.0712 0.5782 0.043 Uiso calc R 1 . . C C19_2 -0.0602(5) -0.0150(4) 0.6034(4) 0.0300(18) Uani d . 1 . . H H19A_2 -0.0732 0.0174 0.5651 0.045 Uiso calc R 1 . . H H19B_2 -0.1114 -0.0212 0.6335 0.045 Uiso calc R 1 . . H H19C_2 -0.0456 -0.0552 0.5792 0.045 Uiso calc R 1 . . C C20_2 0.3061(5) 0.1906(4) 0.8255(5) 0.0298(18) Uani d . 1 . . C C21_2 0.3356(5) 0.1646(4) 0.8926(5) 0.0295(18) Uani d . 1 . . H H21A_2 0.3253 0.121 0.903 0.035 Uiso calc R 1 . . C C22_2 0.3803(5) 0.2022(4) 0.9447(5) 0.036(2) Uani d . 1 . . H H22A_2 0.4021 0.1849 0.9908 0.043 Uiso calc R 1 . . C C23_2 0.3922(5) 0.2653(5) 0.9280(5) 0.047(3) Uani d . 1 . . C C24_2 0.3600(7) 0.2926(5) 0.8624(5) 0.048(3) Uani d . 1 . . H H24A_2 0.367 0.3369 0.8536 0.057 Uiso calc R 1 . . C C25_2 0.3174(5) 0.2542(4) 0.8094(5) 0.037(2) Uani d . 1 . . H H25A_2 0.2965 0.2714 0.7629 0.044 Uiso calc R 1 . . C C26_2 -0.0429(5) 0.0659(4) 0.8499(4) 0.0272(17) Uani d . 1 . . H H26A_2 -0.0147 0.0235 0.8541 0.033 Uiso calc R 1 . . H H26B_2 -0.0376 0.0864 0.8997 0.033 Uiso calc R 1 . . C C27_2 -0.1392(5) 0.0570(5) 0.8281(5) 0.036(2) Uani d . 1 . . H H27A_2 -0.1652 0.0984 0.815 0.054 Uiso calc R 1 . . H H27B_2 -0.1692 0.0387 0.8702 0.054 Uiso calc R 1 . . H H27C_2 -0.1452 0.0283 0.785 0.054 Uiso calc R 1 . . N N1_2 0.4411(7) 0.3053(5) 0.9824(5) 0.056(3) Uani d . 1 . . N N2_2 0.1496(4) 0.1471(2) 0.7630(4) 0.0246(14) Uani d . 1 . . H H2_2 0.1196 0.1718 0.7315 0.03 Uiso calc R 1 . . O O1_2 -0.1105(4) 0.2323(2) 0.7152(2) 0.0355(14) Uani d . 1 . . O O2_2 -0.0328(2) 0.1709(2) 0.7946(2) 0.0257(11) Uani d . 1 . . O O3_2 0.2753(4) 0.1667(2) 0.6867(2) 0.0372(14) Uani d . 1 . . O O4_2 0.2765(2) 0.0768(2) 0.7757(2) 0.0284(11) Uani d . 1 . . O O5_2 0.4339(7) 0.3633(4) 0.9758(5) 0.087(3) Uani d . 1 . . O O6_2 0.4860(5) 0.2777(4) 1.0323(5) 0.064(2) Uani d . 1 . . S S1_2 0.25336(12) 0.14088(9) 0.75620(11) 0.0258(4) Uani d . 1 . . Si Si1_2 0.03335(12) 0.01162(9) 0.66461(12) 0.0226(4) Uani d . 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Br1_1 0.0524(5) 0.0197(4) 0.0334(5) -0.0022(4) 0.0080(4) 0.0040(2) C1_1 0.024(4) 0.014(4) 0.034(4) -0.005(3) 0.004(3) -0.008(3) C2_1 0.022(4) 0.019(4) 0.032(4) 0.004(3) 0.008(3) -0.002(3) C3_1 0.033(4) 0.021(4) 0.037(4) -0.005(4) 0.014(4) -0.005(3) C4_1 0.023(4) 0.022(4) 0.049(5) -0.003(3) 0.013(4) -0.004(4) C5_1 0.026(4) 0.015(4) 0.029(4) 0.002(3) 0.009(3) 0.005(3) C6_1 0.015(3) 0.020(4) 0.040(4) 0.005(3) 0.002(3) 0.000(3) C7_1 0.018(4) 0.021(4) 0.034(4) -0.001(3) 0.006(3) -0.002(3) C8_1 0.035(5) 0.021(4) 0.040(5) -0.004(4) 0.003(4) -0.005(4) C9_1 0.034(5) 0.029(4) 0.037(5) 0.001(4) 0.009(4) -0.011(4) C10_1 0.042(5) 0.027(4) 0.030(4) 0.006(4) 0.007(4) 0.005(3) C11_1 0.029(4) 0.023(4) 0.024(4) 0.003(3) -0.006(3) 0.005(3) C12_1 0.036(4) 0.022(4) 0.021(4) -0.007(3) 0.000(3) -0.005(3) C13_1 0.031(4) 0.023(4) 0.035(4) -0.002(4) 0.003(3) -0.010(3) C14_1 0.051(6) 0.039(5) 0.047(5) -0.025(5) 0.014(5) -0.008(5) C15_1 0.082(8) 0.033(5) 0.036(5) -0.018(5) -0.012(5) 0.014(4) C16_1 0.040(6) 0.040(6) 0.075(7) -0.002(5) -0.010(5) 0.022(5) C17_1 0.037(5) 0.026(5) 0.038(5) -0.003(4) 0.000(4) 0.009(4) C18_1 0.031(4) 0.025(4) 0.036(4) 0.003(4) -0.002(3) -0.006(4) C19_1 0.040(4) 0.022(4) 0.023(4) 0.002(4) 0.012(3) 0.001(3) C20_1 0.016(3) 0.023(4) 0.039(4) 0.004(3) 0.000(3) -0.004(3) C21_1 0.031(4) 0.029(5) 0.029(4) 0.007(4) 0.003(3) 0.005(3) C22_1 0.042(5) 0.023(4) 0.041(5) 0.013(4) 0.001(4) 0.000(4) C23_1 0.033(4) 0.023(4) 0.041(5) 0.002(4) 0.013(4) -0.006(4) C24_1 0.031(4) 0.026(4) 0.031(4) 0.002(4) 0.008(3) 0.003(3) C25_1 0.022(4) 0.024(4) 0.022(4) 0.000(3) 0.005(3) 0.000(3) C26_1 0.024(4) 0.032(5) 0.028(4) 0.002(4) -0.002(3) -0.006(3) C27_1 0.026(4) 0.046(6) 0.046(5) 0.006(4) 0.005(4) -0.008(4) N1_1 0.043(4) 0.034(4) 0.045(5) 0.003(4) 0.016(4) -0.006(4) N2_1 0.022(3) 0.015(3) 0.038(4) -0.005(3) 0.014(3) -0.001(3) O1_1 0.054(4) 0.027(3) 0.055(4) -0.018(3) 0.030(3) -0.014(3) O2_1 0.024(3) 0.019(3) 0.046(3) -0.006(2) 0.013(2) -0.009(2) O3_1 0.023(3) 0.018(3) 0.045(3) -0.004(2) 0.009(2) -0.002(2) O4_1 0.026(3) 0.033(3) 0.044(3) 0.003(3) 0.002(2) -0.008(3) O5_1 0.060(4) 0.044(4) 0.042(4) 0.002(3) 0.016(3) -0.012(3) O6_1 0.091(6) 0.040(4) 0.057(5) 0.033(4) 0.013(4) -0.003(3) S1_1 0.0210(9) 0.0206(10) 0.0301(10) 0.0004(8) 0.0031(7) -0.0033(8) Si1_1 0.0239(10) 0.0139(10) 0.0281(10) -0.0001(8) 0.0034(8) -0.0018(8) Br1_2 0.0580(5) 0.0187(4) 0.0348(5) 0.0062(4) -0.0070(4) 0.0023(2) C1_2 0.022(4) 0.013(4) 0.041(5) 0.004(3) 0.011(3) -0.004(3) C2_2 0.025(4) 0.013(4) 0.035(4) -0.003(3) 0.003(3) -0.003(3) C3_2 0.035(4) 0.024(4) 0.014(3) 0.000(3) -0.001(3) 0.000(3) C4_2 0.019(4) 0.022(4) 0.042(5) 0.002(3) 0.000(3) 0.002(4) C5_2 0.024(4) 0.015(4) 0.027(4) 0.002(3) 0.007(3) 0.003(3) C6_2 0.019(4) 0.021(4) 0.032(4) 0.002(3) 0.006(3) -0.003(3) C7_2 0.027(4) 0.018(4) 0.031(4) 0.006(3) 0.005(3) 0.000(3) C8_2 0.036(5) 0.021(4) 0.036(5) 0.009(4) 0.002(4) 0.002(3) C9_2 0.055(6) 0.030(5) 0.034(5) 0.011(4) -0.008(4) -0.012(4) C10_2 0.048(5) 0.023(4) 0.033(4) 0.011(4) 0.004(4) 0.003(4) C11_2 0.031(4) 0.024(4) 0.028(4) 0.003(3) 0.004(3) 0.004(3) C12_2 0.031(4) 0.016(4) 0.034(4) 0.003(3) 0.013(3) -0.003(3) C13_2 0.029(4) 0.023(4) 0.059(6) 0.004(4) 0.006(4) 0.006(4) C14_2 0.045(5) 0.030(5) 0.051(6) 0.001(4) 0.010(4) 0.016(4) C15_2 0.052(6) 0.025(5) 0.046(5) 0.007(4) 0.009(4) 0.009(4) C16_2 0.043(5) 0.023(4) 0.036(5) 0.007(4) 0.003(4) -0.005(4) C17_2 0.033(4) 0.019(4) 0.033(4) 0.001(3) 0.002(3) -0.009(3) C18_2 0.030(4) 0.023(4) 0.033(4) 0.004(3) 0.008(3) -0.009(3) C19_2 0.042(5) 0.023(4) 0.025(4) -0.002(4) -0.002(3) -0.002(3) C20_2 0.021(4) 0.021(4) 0.048(5) 0.000(3) 0.014(3) -0.004(4) C21_2 0.029(4) 0.022(4) 0.039(5) -0.002(3) 0.008(3) -0.004(3) C22_2 0.029(4) 0.034(5) 0.045(5) 0.004(4) 0.006(4) 0.000(4) C23_2 0.039(5) 0.035(5) 0.070(7) -0.014(4) 0.022(5) -0.018(5) C24_2 0.062(7) 0.025(5) 0.057(6) -0.016(5) 0.014(5) -0.004(4) C25_2 0.047(5) 0.025(4) 0.038(5) -0.007(4) 0.006(4) -0.001(4) C26_2 0.025(4) 0.028(4) 0.028(4) -0.001(3) 0.003(3) 0.005(3) C27_2 0.029(4) 0.041(5) 0.038(5) -0.008(4) 0.008(4) -0.006(4) N1_2 0.068(6) 0.048(6) 0.054(6) -0.028(5) 0.027(5) -0.018(4) N2_2 0.022(3) 0.017(3) 0.036(4) 0.004(3) 0.008(3) 0.004(3) O1_2 0.037(3) 0.022(3) 0.046(4) 0.014(3) -0.007(3) -0.003(3) O2_2 0.023(3) 0.015(3) 0.039(3) 0.003(2) 0.001(2) -0.004(2) O3_2 0.036(3) 0.035(3) 0.042(3) -0.010(3) 0.015(3) -0.006(3) O4_2 0.017(2) 0.020(3) 0.048(3) 0.003(2) -0.002(2) -0.005(2) O5_2 0.143(9) 0.052(6) 0.068(6) -0.058(6) 0.022(6) -0.020(4) O6_2 0.041(4) 0.085(6) 0.065(5) -0.016(4) 0.005(4) -0.033(5) S1_2 0.0222(9) 0.0190(10) 0.0368(10) -0.0009(8) 0.0080(8) -0.0051(8) Si1_2 0.0239(10) 0.0141(10) 0.0299(11) 0.0006(8) 0.0017(8) -0.0027(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_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Br1_1 C11_1 . 1.907(8) ? C1_1 O2_1 . 1.480(9) ? C1_1 C2_1 . 1.492(11) ? C1_1 C5_1 . 1.545(10) ? C1_1 C26_1 . 1.550(11) ? C2_1 C3_1 . 1.343(11) ? C2_1 Si1_1 . 1.894(8) ? C3_1 C4_1 . 1.441(12) ? C3_1 H3A_1 . 0.95 ? C4_1 O1_1 . 1.212(10) ? C4_1 O2_1 . 1.355(10) ? C5_1 N2_1 . 1.460(10) ? C5_1 C6_1 . 1.522(11) ? C5_1 H5D_1 . 1.0 ? C6_1 C11_1 . 1.376(11) ? C6_1 C7_1 . 1.412(11) ? C7_1 C8_1 . 1.372(11) ? C7_1 H7B_1 . 0.95 ? C8_1 C9_1 . 1.387(12) ? C8_1 H8A_1 . 0.95 ? C9_1 C10_1 . 1.400(12) ? C9_1 H9A_1 . 0.95 ? C10_1 C11_1 . 1.383(11) ? C10_1 H10A_1 . 0.95 ? C12_1 C13_1 . 1.401(11) ? C12_1 C17_1 . 1.403(12) ? C12_1 Si1_1 . 1.868(8) ? C13_1 C14_1 . 1.405(13) ? C13_1 H13A_1 . 0.95 ? C14_1 C15_1 . 1.382(15) ? C14_1 H14A_1 . 0.95 ? C15_1 C16_1 . 1.356(16) ? C15_1 H15A_1 . 0.95 ? C16_1 C17_1 . 1.380(13) ? C16_1 H16A_1 . 0.95 ? C17_1 H17A_1 . 0.95 ? C18_1 Si1_1 . 1.857(8) ? C18_1 H18A_1 . 0.98 ? C18_1 H18B_1 . 0.98 ? C18_1 H18C_1 . 0.98 ? C19_1 Si1_1 . 1.854(8) ? C19_1 H19A_1 . 0.98 ? C19_1 H19B_1 . 0.98 ? C19_1 H19C_1 . 0.98 ? C20_1 C25_1 . 1.364(11) ? C20_1 C21_1 . 1.386(11) ? C20_1 S1_1 . 1.783(8) ? C21_1 C22_1 . 1.390(12) ? C21_1 H21A_1 . 0.95 ? C22_1 C23_1 . 1.374(12) ? C22_1 H22A_1 . 0.95 ? C23_1 C24_1 . 1.394(12) ? C23_1 N1_1 . 1.474(11) ? C24_1 C25_1 . 1.407(11) ? C24_1 H24A_1 . 0.95 ? C25_1 H25A_1 . 0.95 ? C26_1 C27_1 . 1.522(10) ? C26_1 H26A_1 . 0.99 ? C26_1 H26B_1 . 0.99 ? C27_1 H27A_1 . 0.98 ? C27_1 H27B_1 . 0.98 ? C27_1 H27C_1 . 0.98 ? N1_1 O5_1 . 1.216(10) ? N1_1 O6_1 . 1.236(10) ? N2_1 S1_1 . 1.621(6) ? N2_1 H2_1 . 0.88 ? O3_1 S1_1 . 1.425(6) ? O4_1 S1_1 . 1.418(6) ? Br1_2 C11_2 . 1.911(8) ? C1_2 O2_2 . 1.477(9) ? C1_2 C2_2 . 1.505(11) ? C1_2 C26_2 . 1.536(11) ? C1_2 C5_2 . 1.570(10) ? C2_2 C3_2 . 1.327(11) ? C2_2 Si1_2 . 1.901(8) ? C3_2 C4_2 . 1.465(11) ? C3_2 H3A_2 . 0.95 ? C4_2 O1_2 . 1.193(10) ? C4_2 O2_2 . 1.352(10) ? C5_2 N2_2 . 1.468(9) ? C5_2 C6_2 . 1.511(11) ? C5_2 H5D_2 . 1.0 ? C6_2 C11_2 . 1.377(11) ? C6_2 C7_2 . 1.403(11) ? C7_2 C8_2 . 1.401(12) ? C7_2 H7B_2 . 0.95 ? C8_2 C9_2 . 1.378(12) ? C8_2 H8A_2 . 0.95 ? C9_2 C10_2 . 1.396(12) ? C9_2 H9A_2 . 0.95 ? C10_2 C11_2 . 1.389(12) ? C10_2 H10A_2 . 0.95 ? C12_2 C17_2 . 1.405(11) ? C12_2 C13_2 . 1.407(12) ? C12_2 Si1_2 . 1.868(8) ? C13_2 C14_2 . 1.370(13) ? C13_2 H13A_2 . 0.95 ? C14_2 C15_2 . 1.382(14) ? C14_2 H14A_2 . 0.95 ? C15_2 C16_2 . 1.397(13) ? C15_2 H15A_2 . 0.95 ? C16_2 C17_2 . 1.390(12) ? C16_2 H16A_2 . 0.95 ? C17_2 H17A_2 . 0.95 ? C18_2 Si1_2 . 1.852(8) ? C18_2 H18A_2 . 0.98 ? C18_2 H18B_2 . 0.98 ? C18_2 H18C_2 . 0.98 ? C19_2 Si1_2 . 1.856(8) ? C19_2 H19A_2 . 0.98 ? C19_2 H19B_2 . 0.98 ? C19_2 H19C_2 . 0.98 ? C20_2 C21_2 . 1.379(12) ? C20_2 C25_2 . 1.379(12) ? C20_2 S1_2 . 1.789(9) ? C21_2 C22_2 . 1.381(12) ? C21_2 H21A_2 . 0.95 ? C22_2 C23_2 . 1.372(14) ? C22_2 H22A_2 . 0.95 ? C23_2 C24_2 . 1.380(16) ? C23_2 N1_2 . 1.469(13) ? C24_2 C25_2 . 1.388(13) ? C24_2 H24A_2 . 0.95 ? C25_2 H25A_2 . 0.95 ? C26_2 C27_2 . 1.526(11) ? C26_2 H26A_2 . 0.99 ? C26_2 H26B_2 . 0.99 ? C27_2 H27A_2 . 0.98 ? C27_2 H27B_2 . 0.98 ? C27_2 H27C_2 . 0.98 ? N1_2 O5_2 . 1.228(13) ? N1_2 O6_2 . 1.248(13) ? N2_2 S1_2 . 1.609(6) ? N2_2 H2_2 . 0.88 ? O3_2 S1_2 . 1.411(6) ? O4_2 S1_2 . 1.432(6) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O2_1 C1_1 C2_1 . . 104.2(6) ? O2_1 C1_1 C5_1 . . 107.7(6) ? C2_1 C1_1 C5_1 . . 114.4(6) ? O2_1 C1_1 C26_1 . . 106.4(6) ? C2_1 C1_1 C26_1 . . 113.8(6) ? C5_1 C1_1 C26_1 . . 109.8(6) ? C3_1 C2_1 C1_1 . . 107.5(7) ? C3_1 C2_1 Si1_1 . . 120.5(6) ? C1_1 C2_1 Si1_1 . . 132.0(6) ? C2_1 C3_1 C4_1 . . 111.1(7) ? C2_1 C3_1 H3A_1 . . 124.4 ? C4_1 C3_1 H3A_1 . . 124.4 ? O1_1 C4_1 O2_1 . . 121.3(8) ? O1_1 C4_1 C3_1 . . 130.7(8) ? O2_1 C4_1 C3_1 . . 108.0(7) ? N2_1 C5_1 C6_1 . . 112.9(6) ? N2_1 C5_1 C1_1 . . 108.0(6) ? C6_1 C5_1 C1_1 . . 114.5(6) ? N2_1 C5_1 H5D_1 . . 107.0 ? C6_1 C5_1 H5D_1 . . 107.0 ? C1_1 C5_1 H5D_1 . . 107.0 ? C11_1 C6_1 C7_1 . . 117.3(7) ? C11_1 C6_1 C5_1 . . 123.5(7) ? C7_1 C6_1 C5_1 . . 119.1(7) ? C8_1 C7_1 C6_1 . . 121.2(8) ? C8_1 C7_1 H7B_1 . . 119.4 ? C6_1 C7_1 H7B_1 . . 119.4 ? C7_1 C8_1 C9_1 . . 120.4(8) ? C7_1 C8_1 H8A_1 . . 119.8 ? C9_1 C8_1 H8A_1 . . 119.8 ? C8_1 C9_1 C10_1 . . 119.6(8) ? C8_1 C9_1 H9A_1 . . 120.2 ? C10_1 C9_1 H9A_1 . . 120.2 ? C11_1 C10_1 C9_1 . . 118.9(8) ? C11_1 C10_1 H10A_1 . . 120.6 ? C9_1 C10_1 H10A_1 . . 120.6 ? C6_1 C11_1 C10_1 . . 122.7(8) ? C6_1 C11_1 Br1_1 . . 121.2(6) ? C10_1 C11_1 Br1_1 . . 116.0(6) ? C13_1 C12_1 C17_1 . . 117.2(7) ? C13_1 C12_1 Si1_1 . . 122.1(6) ? C17_1 C12_1 Si1_1 . . 120.7(6) ? C12_1 C13_1 C14_1 . . 120.8(8) ? C12_1 C13_1 H13A_1 . . 119.6 ? C14_1 C13_1 H13A_1 . . 119.6 ? C15_1 C14_1 C13_1 . . 119.4(9) ? C15_1 C14_1 H14A_1 . . 120.3 ? C13_1 C14_1 H14A_1 . . 120.3 ? C16_1 C15_1 C14_1 . . 120.4(9) ? C16_1 C15_1 H15A_1 . . 119.8 ? C14_1 C15_1 H15A_1 . . 119.8 ? C15_1 C16_1 C17_1 . . 120.8(10) ? C15_1 C16_1 H16A_1 . . 119.6 ? C17_1 C16_1 H16A_1 . . 119.6 ? C16_1 C17_1 C12_1 . . 121.3(9) ? C16_1 C17_1 H17A_1 . . 119.4 ? C12_1 C17_1 H17A_1 . . 119.4 ? Si1_1 C18_1 H18A_1 . . 109.5 ? Si1_1 C18_1 H18B_1 . . 109.5 ? H18A_1 C18_1 H18B_1 . . 109.5 ? Si1_1 C18_1 H18C_1 . . 109.5 ? H18A_1 C18_1 H18C_1 . . 109.5 ? H18B_1 C18_1 H18C_1 . . 109.5 ? Si1_1 C19_1 H19A_1 . . 109.5 ? Si1_1 C19_1 H19B_1 . . 109.5 ? H19A_1 C19_1 H19B_1 . . 109.5 ? Si1_1 C19_1 H19C_1 . . 109.5 ? H19A_1 C19_1 H19C_1 . . 109.5 ? H19B_1 C19_1 H19C_1 . . 109.5 ? C25_1 C20_1 C21_1 . . 122.7(7) ? C25_1 C20_1 S1_1 . . 120.3(6) ? C21_1 C20_1 S1_1 . . 116.9(6) ? C20_1 C21_1 C22_1 . . 118.9(8) ? C20_1 C21_1 H21A_1 . . 120.6 ? C22_1 C21_1 H21A_1 . . 120.6 ? C23_1 C22_1 C21_1 . . 118.1(8) ? C23_1 C22_1 H22A_1 . . 121.0 ? C21_1 C22_1 H22A_1 . . 121.0 ? C22_1 C23_1 C24_1 . . 124.0(8) ? C22_1 C23_1 N1_1 . . 118.6(8) ? C24_1 C23_1 N1_1 . . 117.2(8) ? C23_1 C24_1 C25_1 . . 116.6(7) ? C23_1 C24_1 H24A_1 . . 121.7 ? C25_1 C24_1 H24A_1 . . 121.7 ? C20_1 C25_1 C24_1 . . 119.6(7) ? C20_1 C25_1 H25A_1 . . 120.2 ? C24_1 C25_1 H25A_1 . . 120.2 ? C27_1 C26_1 C1_1 . . 114.2(7) ? C27_1 C26_1 H26A_1 . . 108.7 ? C1_1 C26_1 H26A_1 . . 108.7 ? C27_1 C26_1 H26B_1 . . 108.7 ? C1_1 C26_1 H26B_1 . . 108.7 ? H26A_1 C26_1 H26B_1 . . 107.6 ? C26_1 C27_1 H27A_1 . . 109.5 ? C26_1 C27_1 H27B_1 . . 109.5 ? H27A_1 C27_1 H27B_1 . . 109.5 ? C26_1 C27_1 H27C_1 . . 109.5 ? H27A_1 C27_1 H27C_1 . . 109.5 ? H27B_1 C27_1 H27C_1 . . 109.5 ? O5_1 N1_1 O6_1 . . 125.1(8) ? O5_1 N1_1 C23_1 . . 118.5(8) ? O6_1 N1_1 C23_1 . . 116.5(8) ? C5_1 N2_1 S1_1 . . 120.2(5) ? C5_1 N2_1 H2_1 . . 119.9 ? S1_1 N2_1 H2_1 . . 119.9 ? C4_1 O2_1 C1_1 . . 109.2(6) ? O4_1 S1_1 O3_1 . . 120.4(4) ? O4_1 S1_1 N2_1 . . 107.4(3) ? O3_1 S1_1 N2_1 . . 106.8(3) ? O4_1 S1_1 C20_1 . . 106.1(4) ? O3_1 S1_1 C20_1 . . 108.0(4) ? N2_1 S1_1 C20_1 . . 107.7(3) ? C19_1 Si1_1 C18_1 . . 113.3(4) ? C19_1 Si1_1 C12_1 . . 109.9(4) ? C18_1 Si1_1 C12_1 . . 110.1(4) ? C19_1 Si1_1 C2_1 . . 104.6(3) ? C18_1 Si1_1 C2_1 . . 107.7(4) ? C12_1 Si1_1 C2_1 . . 111.2(3) ? O2_2 C1_2 C2_2 . . 103.9(6) ? O2_2 C1_2 C26_2 . . 107.2(6) ? C2_2 C1_2 C26_2 . . 114.7(7) ? O2_2 C1_2 C5_2 . . 107.7(6) ? C2_2 C1_2 C5_2 . . 113.5(6) ? C26_2 C1_2 C5_2 . . 109.3(6) ? C3_2 C2_2 C1_2 . . 107.4(6) ? C3_2 C2_2 Si1_2 . . 122.3(6) ? C1_2 C2_2 Si1_2 . . 130.3(6) ? C2_2 C3_2 C4_2 . . 111.5(7) ? C2_2 C3_2 H3A_2 . . 124.2 ? C4_2 C3_2 H3A_2 . . 124.2 ? O1_2 C4_2 O2_2 . . 122.1(8) ? O1_2 C4_2 C3_2 . . 130.8(8) ? O2_2 C4_2 C3_2 . . 107.0(6) ? N2_2 C5_2 C6_2 . . 112.3(6) ? N2_2 C5_2 C1_2 . . 107.6(6) ? C6_2 C5_2 C1_2 . . 114.9(6) ? N2_2 C5_2 H5D_2 . . 107.2 ? C6_2 C5_2 H5D_2 . . 107.2 ? C1_2 C5_2 H5D_2 . . 107.2 ? C11_2 C6_2 C7_2 . . 118.0(7) ? C11_2 C6_2 C5_2 . . 122.9(7) ? C7_2 C6_2 C5_2 . . 119.0(7) ? C8_2 C7_2 C6_2 . . 120.2(7) ? C8_2 C7_2 H7B_2 . . 119.9 ? C6_2 C7_2 H7B_2 . . 119.9 ? C9_2 C8_2 C7_2 . . 120.2(8) ? C9_2 C8_2 H8A_2 . . 119.9 ? C7_2 C8_2 H8A_2 . . 119.9 ? C8_2 C9_2 C10_2 . . 120.3(8) ? C8_2 C9_2 H9A_2 . . 119.8 ? C10_2 C9_2 H9A_2 . . 119.8 ? C11_2 C10_2 C9_2 . . 118.5(8) ? C11_2 C10_2 H10A_2 . . 120.8 ? C9_2 C10_2 H10A_2 . . 120.8 ? C6_2 C11_2 C10_2 . . 122.7(7) ? C6_2 C11_2 Br1_2 . . 121.2(6) ? C10_2 C11_2 Br1_2 . . 115.9(6) ? C17_2 C12_2 C13_2 . . 116.9(8) ? C17_2 C12_2 Si1_2 . . 121.5(6) ? C13_2 C12_2 Si1_2 . . 121.6(6) ? C14_2 C13_2 C12_2 . . 121.1(9) ? C14_2 C13_2 H13A_2 . . 119.5 ? C12_2 C13_2 H13A_2 . . 119.5 ? C13_2 C14_2 C15_2 . . 121.6(9) ? C13_2 C14_2 H14A_2 . . 119.2 ? C15_2 C14_2 H14A_2 . . 119.2 ? C14_2 C15_2 C16_2 . . 119.0(9) ? C14_2 C15_2 H15A_2 . . 120.5 ? C16_2 C15_2 H15A_2 . . 120.5 ? C17_2 C16_2 C15_2 . . 119.5(9) ? C17_2 C16_2 H16A_2 . . 120.3 ? C15_2 C16_2 H16A_2 . . 120.3 ? C16_2 C17_2 C12_2 . . 122.0(8) ? C16_2 C17_2 H17A_2 . . 119.0 ? C12_2 C17_2 H17A_2 . . 119.0 ? Si1_2 C18_2 H18A_2 . . 109.5 ? Si1_2 C18_2 H18B_2 . . 109.5 ? H18A_2 C18_2 H18B_2 . . 109.5 ? Si1_2 C18_2 H18C_2 . . 109.5 ? H18A_2 C18_2 H18C_2 . . 109.5 ? H18B_2 C18_2 H18C_2 . . 109.5 ? Si1_2 C19_2 H19A_2 . . 109.5 ? Si1_2 C19_2 H19B_2 . . 109.5 ? H19A_2 C19_2 H19B_2 . . 109.5 ? Si1_2 C19_2 H19C_2 . . 109.5 ? H19A_2 C19_2 H19C_2 . . 109.5 ? H19B_2 C19_2 H19C_2 . . 109.5 ? C21_2 C20_2 C25_2 . . 121.8(8) ? C21_2 C20_2 S1_2 . . 119.7(6) ? C25_2 C20_2 S1_2 . . 118.5(7) ? C20_2 C21_2 C22_2 . . 119.8(8) ? C20_2 C21_2 H21A_2 . . 120.1 ? C22_2 C21_2 H21A_2 . . 120.1 ? C23_2 C22_2 C21_2 . . 118.1(9) ? C23_2 C22_2 H22A_2 . . 121.0 ? C21_2 C22_2 H22A_2 . . 121.0 ? C22_2 C23_2 C24_2 . . 122.8(9) ? C22_2 C23_2 N1_2 . . 118.5(10) ? C24_2 C23_2 N1_2 . . 118.7(9) ? C23_2 C24_2 C25_2 . . 118.8(9) ? C23_2 C24_2 H24A_2 . . 120.6 ? C25_2 C24_2 H24A_2 . . 120.6 ? C20_2 C25_2 C24_2 . . 118.6(9) ? C20_2 C25_2 H25A_2 . . 120.7 ? C24_2 C25_2 H25A_2 . . 120.7 ? C27_2 C26_2 C1_2 . . 113.1(7) ? C27_2 C26_2 H26A_2 . . 109.0 ? C1_2 C26_2 H26A_2 . . 109.0 ? C27_2 C26_2 H26B_2 . . 109.0 ? C1_2 C26_2 H26B_2 . . 109.0 ? H26A_2 C26_2 H26B_2 . . 107.8 ? C26_2 C27_2 H27A_2 . . 109.5 ? C26_2 C27_2 H27B_2 . . 109.5 ? H27A_2 C27_2 H27B_2 . . 109.5 ? C26_2 C27_2 H27C_2 . . 109.5 ? H27A_2 C27_2 H27C_2 . . 109.5 ? H27B_2 C27_2 H27C_2 . . 109.5 ? O5_2 N1_2 O6_2 . . 125.1(10) ? O5_2 N1_2 C23_2 . . 117.5(11) ? O6_2 N1_2 C23_2 . . 117.4(9) ? C5_2 N2_2 S1_2 . . 121.0(5) ? C5_2 N2_2 H2_2 . . 119.5 ? S1_2 N2_2 H2_2 . . 119.5 ? C4_2 O2_2 C1_2 . . 109.8(6) ? O3_2 S1_2 O4_2 . . 120.7(4) ? O3_2 S1_2 N2_2 . . 108.1(4) ? O4_2 S1_2 N2_2 . . 107.2(3) ? O3_2 S1_2 C20_2 . . 105.6(4) ? O4_2 S1_2 C20_2 . . 106.3(4) ? N2_2 S1_2 C20_2 . . 108.7(3) ? C18_2 Si1_2 C19_2 . . 111.9(4) ? C18_2 Si1_2 C12_2 . . 110.5(4) ? C19_2 Si1_2 C12_2 . . 111.2(4) ? C18_2 Si1_2 C2_2 . . 107.9(3) ? C19_2 Si1_2 C2_2 . . 105.0(4) ? C12_2 Si1_2 C2_2 . . 110.1(3) ?