Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2001 data_global #============================================================================== # 1. SUBMISSION DETAILS _publ_contact_author # Name and address of author for correspondence ; Dr. Hans-Georg Stammler ; _publ_contact_author_phone '49 521 1066165' _publ_contact_author_fax '49 521 1066146' _publ_contact_author_email georg.stammler@.uni-bielefeld.de _publ_requested_journal 'Chemical Communications' _publ_requested_coeditor_name ? _journal_coden_Cambridge 182 _publ_contact_letter ; ; #============================================================================== # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #============================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; Easy formation of Indium Silicon Bonds: Reaction of Decamethylsilicocene with Trimethylindium ; # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. loop_ _publ_author_name _publ_author_address 'K\"uhler, Thorsten' ; Fakult\"at f. Chemie Universit\"at Bielefeld 33615 Bielefeld Germany ; 'Jutzi, Peter' ; Fakult\"at f. Chemie Universit\"at Bielefeld 33615 Bielefeld Germany ; 'Stammler, Anja' ; Fakult\"at f. Chemie Universit\"at Bielefeld 33615 Bielefeld Germany ; 'Stammler, Hans-Georg' ; Fakult\"at f. Chemie Universit\"at Bielefeld 33615 Bielefeld Germany ; #============================================================================== data_compound 2 _database_code_CSD 154849 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C43 H69 In Si2' _chemical_formula_weight 756.98 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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'In' 'In' -0.7276 1.3100 '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 10.808(7) _cell_length_b 12.425(9) _cell_length_c 16.592(11) _cell_angle_alpha 71.99(5) _cell_angle_beta 77.40(6) _cell_angle_gamma 81.18(6) _cell_volume 2059(2) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 48 _cell_measurement_theta_min 2.4 _cell_measurement_theta_max 14.5 _exptl_crystal_description irregular _exptl_crystal_colour colourless _exptl_crystal_size_max 0.6 _exptl_crystal_size_mid 0.4 _exptl_crystal_size_min 0.2 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.221 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 808 _exptl_absorpt_coefficient_mu 0.659 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.661 _exptl_absorpt_correction_T_max 0.740 _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(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 'Siemens P2(1) diffractometer' _diffrn_measurement_method 'Wyckoff-scan' _diffrn_refln_scan_width 1.6000 _diffrn_standards_number 3 _diffrn_standards_interval_count 100 _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 7680 _diffrn_reflns_av_R_equivalents 0.1046 _diffrn_reflns_av_sigmaI/netI 0.0880 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.85 _diffrn_reflns_theta_max 25.00 _reflns_number_total 7249 _reflns_number_gt 5534 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'P3 (1989)' _computing_cell_refinement 'P3 (1989)' _computing_data_reduction 'SHELXTL-PLUS (1990)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL-PLUS (1990)' _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 w=1/[\s^2^(Fo^2^)+(0.0962P)^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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7249 _refine_ls_number_parameters 438 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0903 _refine_ls_R_factor_gt 0.0614 _refine_ls_wR_factor_ref 0.1628 _refine_ls_wR_factor_gt 0.1462 _refine_ls_goodness_of_fit_ref 1.017 _refine_ls_restrained_S_all 1.017 _refine_ls_shift/su_max 0.016 _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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group In1 In -0.37151(4) -0.08404(4) 0.27398(3) 0.02087(15) Uani 1 d . . . Si1 Si -0.22172(15) -0.21961(13) 0.19100(10) 0.0206(3) Uani 1 d . . . Si2 Si -0.49113(15) 0.10080(13) 0.18444(10) 0.0211(4) Uani 1 d . . . C1 C -0.2552(7) -0.4520(6) 0.3051(4) 0.0331(15) Uani 1 d . . . C2 C -0.1739(6) -0.5445(5) 0.3039(4) 0.0323(15) Uani 1 d . . . C3 C -0.1143(6) -0.5406(5) 0.2147(5) 0.0325(15) Uani 1 d . . . C4 C -0.1609(6) -0.4441(5) 0.1608(4) 0.0266(13) Uani 1 d . . . C5 C -0.2571(6) -0.3779(5) 0.2137(4) 0.0248(13) Uani 1 d . . . C6 C -0.3352(7) -0.4211(7) 0.3818(4) 0.0448(18) Uani 1 d . . . H6A H -0.3406 -0.4887 0.4318 0.067 Uiso 1 calc R . . H6B H -0.4209 -0.3917 0.3700 0.067 Uiso 1 calc R . . H6C H -0.2966 -0.3627 0.3939 0.067 Uiso 1 calc R . . C7 C -0.1389(9) -0.6384(6) 0.3790(5) 0.054(2) Uani 1 d . . . H7A H -0.1983 -0.6324 0.4316 0.080 Uiso 1 calc R . . H7B H -0.0521 -0.6327 0.3850 0.080 Uiso 1 calc R . . H7C H -0.1432 -0.7118 0.3697 0.080 Uiso 1 calc R . . C8 C -0.0179(7) -0.6303(6) 0.1888(5) 0.0453(19) Uani 1 d . . . H8A H -0.0603 -0.6804 0.1702 0.068 Uiso 1 calc R . . H8B H 0.0219 -0.6750 0.2380 0.068 Uiso 1 calc R . . H8C H 0.0475 -0.5940 0.1412 0.068 Uiso 1 calc R . . C9 C -0.1326(7) -0.4156(6) 0.0641(4) 0.0376(16) Uani 1 d . . . H9A H -0.0558 -0.3749 0.0417 0.056 Uiso 1 calc R . . H9B H -0.2046 -0.3674 0.0407 0.056 Uiso 1 calc R . . H9C H -0.1190 -0.4858 0.0470 0.056 Uiso 1 calc R . . C10 C -0.3902(6) -0.3720(6) 0.1919(5) 0.0350(15) Uani 1 d . . . H10A H -0.4132 -0.4493 0.2029 0.052 Uiso 1 calc R . . H10B H -0.3890 -0.3305 0.1310 0.052 Uiso 1 calc R . . H10C H -0.4531 -0.3327 0.2280 0.052 Uiso 1 calc R . . C11 C -0.0680(6) -0.0716(5) 0.2021(4) 0.0254(13) Uani 1 d . . . C12 C -0.0725(5) -0.0642(5) 0.2818(4) 0.0270(13) Uani 1 d . . . C13 C -0.0544(6) -0.1782(6) 0.3402(4) 0.0280(14) Uani 1 d . . . C14 C -0.0361(6) -0.2560(6) 0.2951(4) 0.0295(14) Uani 1 d . . . C15 C -0.0526(6) -0.1958(5) 0.2038(4) 0.0280(14) Uani 1 d . . . C16 C -0.0620(7) 0.0261(6) 0.1215(4) 0.0353(16) Uani 1 d . . . H16A H -0.1446 0.0419 0.1029 0.053 Uiso 1 calc R . . H16B H 0.0039 0.0066 0.0760 0.053 Uiso 1 calc R . . H16C H -0.0415 0.0935 0.1329 0.053 Uiso 1 calc R . . C17 C -0.0855(7) 0.0393(6) 0.3117(5) 0.0370(16) Uani 1 d . . . H17A H -0.0959 0.1073 0.2634 0.055 Uiso 1 calc R . . H17B H -0.0089 0.0415 0.3336 0.055 Uiso 1 calc R . . H17C H -0.1601 0.0371 0.3578 0.055 Uiso 1 calc R . . C18 C -0.0490(7) -0.2043(7) 0.4343(4) 0.0420(17) Uani 1 d . . . H18A H -0.0545 -0.2858 0.4623 0.063 Uiso 1 calc R . . H18B H -0.1204 -0.1612 0.4618 0.063 Uiso 1 calc R . . H18C H 0.0314 -0.1828 0.4402 0.063 Uiso 1 calc R . . C19 C 0.0094(7) -0.3792(6) 0.3282(5) 0.0414(17) Uani 1 d . . . H19A H 0.0974 -0.3858 0.3370 0.062 Uiso 1 calc R . . H19B H 0.0057 -0.4189 0.2863 0.062 Uiso 1 calc R . . H19C H -0.0451 -0.4133 0.3831 0.062 Uiso 1 calc R . . C20 C 0.0544(6) -0.2279(6) 0.1349(5) 0.0363(16) Uani 1 d . . . H20A H 0.1366 -0.2142 0.1439 0.054 Uiso 1 calc R . . H20B H 0.0400 -0.1816 0.0775 0.054 Uiso 1 calc R . . H20C H 0.0546 -0.3085 0.1395 0.054 Uiso 1 calc R . . C21 C -0.2259(6) -0.1539(6) 0.0722(4) 0.0293(14) Uani 1 d . . . H21A H -0.1507 -0.1842 0.0381 0.044 Uiso 1 calc R . . H21B H -0.2263 -0.0712 0.0578 0.044 Uiso 1 calc R . . H21C H -0.3030 -0.1723 0.0592 0.044 Uiso 1 calc R . . C22 C -0.3969(7) -0.1236(5) 0.4132(4) 0.0314(15) Uani 1 d . . . H22A H -0.4543 -0.0637 0.4325 0.047 Uiso 1 calc R . . H22B H -0.3142 -0.1285 0.4299 0.047 Uiso 1 calc R . . H22C H -0.4337 -0.1965 0.4400 0.047 Uiso 1 calc R . . C23 C -0.4471(6) 0.1003(5) 0.0671(4) 0.0277(14) Uani 1 d . . . H23A H -0.4438 0.0225 0.0638 0.042 Uiso 1 calc R . . H23B H -0.3635 0.1292 0.0421 0.042 Uiso 1 calc R . . H23C H -0.5111 0.1489 0.0351 0.042 Uiso 1 calc R . . C24 C -0.6534(6) -0.0673(5) 0.2349(4) 0.0287(14) Uani 1 d . . . C25 C -0.6746(6) -0.1242(5) 0.3193(4) 0.0274(14) Uani 1 d . . . C26 C -0.7117(5) -0.0425(5) 0.3700(4) 0.0253(13) Uani 1 d . . . C27 C -0.7126(5) 0.0635(5) 0.3154(4) 0.0218(12) Uani 1 d . . . C28 C -0.6671(6) 0.0592(5) 0.2239(4) 0.0240(13) Uani 1 d . . . C29 C -0.6335(7) -0.1189(6) 0.1618(5) 0.0380(17) Uani 1 d . . . H29A H -0.5433 -0.1212 0.1350 0.057 Uiso 1 calc R . . H29B H -0.6846 -0.0729 0.1189 0.057 Uiso 1 calc R . . H29C H -0.6598 -0.1963 0.1837 0.057 Uiso 1 calc R . . C30 C -0.6773(7) -0.2498(6) 0.3607(5) 0.0436(18) Uani 1 d . . . H30A H -0.6595 -0.2890 0.3159 0.065 Uiso 1 calc R . . H30B H -0.7616 -0.2656 0.3958 0.065 Uiso 1 calc R . . H30C H -0.6126 -0.2767 0.3974 0.065 Uiso 1 calc R . . C31 C -0.7502(7) -0.0721(6) 0.4660(4) 0.0373(16) Uani 1 d . . . H31A H -0.7257 -0.0141 0.4868 0.056 Uiso 1 calc R . . H31B H -0.7075 -0.1463 0.4921 0.056 Uiso 1 calc R . . H31C H -0.8427 -0.0753 0.4819 0.056 Uiso 1 calc R . . C32 C -0.7642(7) 0.1702(5) 0.3415(4) 0.0329(15) Uani 1 d . . . H32A H -0.8554 0.1674 0.3653 0.049 Uiso 1 calc R . . H32B H -0.7513 0.2366 0.2909 0.049 Uiso 1 calc R . . H32C H -0.7193 0.1758 0.3852 0.049 Uiso 1 calc R . . C33 C -0.7587(6) 0.1262(6) 0.1638(4) 0.0343(15) Uani 1 d . . . H33A H -0.7255 0.1189 0.1057 0.051 Uiso 1 calc R . . H33B H -0.7672 0.2066 0.1621 0.051 Uiso 1 calc R . . H33C H -0.8422 0.0963 0.1851 0.051 Uiso 1 calc R . . C34 C -0.5532(6) 0.3476(5) 0.1346(4) 0.0298(14) Uani 1 d . . . C35 C -0.6131(6) 0.4106(5) 0.1873(5) 0.0351(16) Uani 1 d . . . C36 C -0.5698(7) 0.3647(6) 0.2709(5) 0.0356(16) Uani 1 d . . . C37 C -0.4854(6) 0.2742(5) 0.2687(4) 0.0277(14) Uani 1 d . . . C38 C -0.4634(6) 0.2547(5) 0.1809(4) 0.0265(13) Uani 1 d . . . C39 C -0.5639(8) 0.3670(6) 0.0419(4) 0.0419(18) Uani 1 d . . . H39A H -0.6212 0.3149 0.0390 0.063 Uiso 1 calc R . . H39B H -0.4795 0.3530 0.0085 0.063 Uiso 1 calc R . . H39C H -0.5979 0.4456 0.0182 0.063 Uiso 1 calc R . . C40 C -0.7062(7) 0.5127(6) 0.1667(6) 0.053(2) Uani 1 d . . . H40A H -0.7248 0.5245 0.1092 0.079 Uiso 1 calc R . . H40B H -0.6700 0.5797 0.1679 0.079 Uiso 1 calc R . . H40C H -0.7851 0.5009 0.2094 0.079 Uiso 1 calc R . . C41 C -0.6215(9) 0.4135(7) 0.3460(5) 0.055(2) Uani 1 d . . . H41A H -0.5746 0.3754 0.3930 0.082 Uiso 1 calc R . . H41B H -0.7120 0.4017 0.3661 0.082 Uiso 1 calc R . . H41C H -0.6115 0.4951 0.3274 0.082 Uiso 1 calc R . . C42 C -0.4173(8) 0.2051(6) 0.3389(5) 0.0429(18) Uani 1 d . . . H42A H -0.4196 0.2487 0.3795 0.064 Uiso 1 calc R . . H42B H -0.3286 0.1859 0.3145 0.064 Uiso 1 calc R . . H42C H -0.4587 0.1352 0.3693 0.064 Uiso 1 calc R . . C43 C -0.3228(6) 0.2730(6) 0.1372(5) 0.0375(16) Uani 1 d . . . H43A H -0.3020 0.3454 0.1406 0.056 Uiso 1 calc R . . H43B H -0.3110 0.2744 0.0767 0.056 Uiso 1 calc R . . H43C H -0.2665 0.2107 0.1668 0.056 Uiso 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 In1 0.0228(2) 0.0236(2) 0.0190(2) -0.00799(16) -0.00783(15) -0.00057(15) Si1 0.0235(9) 0.0212(8) 0.0189(8) -0.0068(6) -0.0080(6) 0.0004(6) Si2 0.0227(9) 0.0233(8) 0.0200(8) -0.0097(7) -0.0068(7) 0.0010(7) C1 0.039(4) 0.032(4) 0.029(3) -0.006(3) -0.009(3) -0.006(3) C2 0.036(4) 0.026(3) 0.032(4) -0.001(3) -0.011(3) -0.004(3) C3 0.027(3) 0.027(3) 0.049(4) -0.013(3) -0.014(3) -0.002(3) C4 0.026(3) 0.022(3) 0.035(3) -0.012(3) -0.008(3) 0.000(2) C5 0.022(3) 0.027(3) 0.028(3) -0.011(3) -0.006(2) 0.000(2) C6 0.050(5) 0.050(4) 0.029(4) -0.006(3) -0.003(3) -0.006(4) C7 0.073(6) 0.036(4) 0.046(5) 0.003(4) -0.022(4) -0.003(4) C8 0.043(4) 0.026(4) 0.072(5) -0.017(4) -0.023(4) 0.005(3) C9 0.046(4) 0.033(4) 0.037(4) -0.016(3) -0.013(3) 0.006(3) C10 0.031(4) 0.031(4) 0.049(4) -0.019(3) -0.009(3) -0.006(3) C11 0.023(3) 0.027(3) 0.028(3) -0.010(3) -0.004(3) -0.004(3) C12 0.016(3) 0.031(3) 0.036(4) -0.011(3) -0.007(3) -0.002(2) C13 0.020(3) 0.040(4) 0.029(3) -0.018(3) -0.007(3) -0.001(3) C14 0.020(3) 0.038(4) 0.034(4) -0.012(3) -0.011(3) 0.000(3) C15 0.027(3) 0.034(3) 0.029(3) -0.015(3) -0.012(3) 0.001(3) C16 0.036(4) 0.040(4) 0.030(4) -0.007(3) -0.003(3) -0.013(3) C17 0.035(4) 0.045(4) 0.040(4) -0.023(3) -0.006(3) -0.007(3) C18 0.041(4) 0.055(5) 0.033(4) -0.011(3) -0.012(3) -0.005(3) C19 0.045(4) 0.038(4) 0.049(4) -0.015(3) -0.028(4) 0.005(3) C20 0.022(3) 0.049(4) 0.044(4) -0.025(3) -0.004(3) 0.003(3) C21 0.028(3) 0.036(4) 0.024(3) -0.008(3) -0.009(3) 0.000(3) C22 0.039(4) 0.032(3) 0.026(3) -0.012(3) -0.010(3) 0.003(3) C23 0.038(4) 0.026(3) 0.020(3) -0.008(3) -0.008(3) 0.001(3) C24 0.023(3) 0.035(4) 0.034(4) -0.016(3) -0.009(3) -0.007(3) C25 0.023(3) 0.031(3) 0.036(4) -0.022(3) -0.005(3) -0.002(3) C26 0.015(3) 0.032(3) 0.029(3) -0.010(3) -0.002(2) -0.006(2) C27 0.020(3) 0.030(3) 0.020(3) -0.013(3) -0.005(2) -0.001(2) C28 0.021(3) 0.030(3) 0.022(3) -0.006(3) -0.007(2) -0.004(2) C29 0.036(4) 0.049(4) 0.041(4) -0.030(3) -0.002(3) -0.012(3) C30 0.040(4) 0.033(4) 0.055(5) -0.016(3) 0.008(4) -0.013(3) C31 0.039(4) 0.045(4) 0.030(4) -0.011(3) -0.006(3) -0.008(3) C32 0.038(4) 0.029(3) 0.034(4) -0.014(3) -0.002(3) -0.005(3) C33 0.027(3) 0.049(4) 0.026(3) -0.007(3) -0.011(3) 0.002(3) C34 0.027(3) 0.024(3) 0.037(4) -0.004(3) -0.008(3) -0.006(3) C35 0.025(3) 0.026(3) 0.050(4) -0.007(3) -0.006(3) 0.002(3) C36 0.039(4) 0.030(4) 0.040(4) -0.012(3) -0.004(3) -0.008(3) C37 0.033(4) 0.026(3) 0.032(3) -0.015(3) -0.011(3) -0.007(3) C38 0.029(3) 0.025(3) 0.030(3) -0.010(3) -0.011(3) -0.003(3) C39 0.058(5) 0.032(4) 0.036(4) 0.003(3) -0.024(4) -0.008(3) C40 0.040(4) 0.034(4) 0.079(6) -0.014(4) -0.008(4) 0.006(3) C41 0.067(6) 0.045(5) 0.055(5) -0.026(4) 0.002(4) -0.009(4) C42 0.057(5) 0.042(4) 0.041(4) -0.021(3) -0.021(4) -0.001(4) C43 0.031(4) 0.035(4) 0.050(4) -0.015(3) -0.007(3) -0.009(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag In1 C22 2.172(6) . Y In1 Si2 2.640(3) . Y In1 Si1 2.642(2) . Y Si1 C21 1.894(6) . Y Si1 C15 1.962(6) . Y Si1 C5 1.966(6) . Y Si2 C23 1.902(6) . Y Si2 C38 1.962(6) . Y Si2 C28 1.965(6) . Y C1 C2 1.339(9) . Y C1 C6 1.495(10) . Y C1 C5 1.514(9) . Y C2 C3 1.468(10) . Y C2 C7 1.493(9) . Y C3 C4 1.357(9) . Y C3 C8 1.502(9) . Y C4 C9 1.503(9) . Y C4 C5 1.522(8) . Y C5 C10 1.544(9) . Y C11 C12 1.343(9) . Y C11 C16 1.499(9) . Y C11 C15 1.519(9) . Y C12 C13 1.460(9) . Y C12 C17 1.494(9) . Y C13 C14 1.365(9) . Y C13 C18 1.506(9) . Y C14 C19 1.501(9) . Y C14 C15 1.503(9) . Y C15 C20 1.538(9) . Y C24 C25 1.346(9) . Y C24 C29 1.501(8) . Y C24 C28 1.513(9) . Y C25 C26 1.469(8) . Y C25 C30 1.499(9) . Y C26 C27 1.348(8) . Y C26 C31 1.496(9) . Y C27 C28 1.505(8) . Y C27 C32 1.510(8) . Y C28 C33 1.526(8) . Y C34 C35 1.348(9) . Y C34 C39 1.509(9) . Y C34 C38 1.516(9) . Y C35 C36 1.476(10) . Y C35 C40 1.494(9) . Y C36 C37 1.339(9) . Y C36 C41 1.514(10) . Y C37 C42 1.483(9) . Y C37 C38 1.512(8) . Y C38 C43 1.553(9) . Y 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 C22 In1 Si2 120.40(18) . . Y C22 In1 Si1 120.87(18) . . Y Si2 In1 Si1 118.73(7) . . Y C21 Si1 C15 104.8(3) . . Y C21 Si1 C5 104.2(3) . . Y C15 Si1 C5 116.7(3) . . Y C21 Si1 In1 107.2(2) . . Y C15 Si1 In1 101.79(19) . . Y C5 Si1 In1 120.98(19) . . Y C23 Si2 C38 104.0(3) . . Y C23 Si2 C28 105.9(3) . . Y C38 Si2 C28 116.4(3) . . Y C23 Si2 In1 106.7(2) . . Y C38 Si2 In1 122.94(19) . . Y C28 Si2 In1 99.62(19) . . Y C2 C1 C6 127.9(6) . . Y C2 C1 C5 109.5(6) . . Y C6 C1 C5 122.6(6) . . Y C1 C2 C3 110.0(6) . . Y C1 C2 C7 127.9(7) . . Y C3 C2 C7 122.0(6) . . Y C4 C3 C2 108.9(6) . . Y C4 C3 C8 126.2(7) . . Y C2 C3 C8 124.8(6) . . Y C3 C4 C9 124.6(6) . . Y C3 C4 C5 109.1(6) . . Y C9 C4 C5 125.9(5) . . Y C1 C5 C4 102.4(5) . . Y C1 C5 C10 109.6(5) . . Y C4 C5 C10 109.4(5) . . Y C1 C5 Si1 115.2(4) . . Y C4 C5 Si1 114.1(4) . . Y C10 C5 Si1 106.1(4) . . Y C12 C11 C16 125.8(6) . . Y C12 C11 C15 109.5(5) . . Y C16 C11 C15 124.3(5) . . Y C11 C12 C13 109.4(5) . . Y C11 C12 C17 129.0(6) . . Y C13 C12 C17 121.5(6) . . Y C14 C13 C12 109.3(6) . . Y C14 C13 C18 125.7(6) . . Y C12 C13 C18 124.9(6) . . Y C13 C14 C19 125.1(6) . . Y C13 C14 C15 109.0(6) . . Y C19 C14 C15 125.4(6) . . Y C14 C15 C11 102.5(5) . . Y C14 C15 C20 114.4(5) . . Y C11 C15 C20 115.4(5) . . Y C14 C15 Si1 108.3(4) . . Y C11 C15 Si1 102.6(4) . . Y C20 C15 Si1 112.6(4) . . Y C25 C24 C29 125.8(6) . . Y C25 C24 C28 109.7(5) . . Y C29 C24 C28 124.1(6) . . Y C24 C25 C26 109.2(6) . . Y C24 C25 C30 128.6(6) . . Y C26 C25 C30 121.8(6) . . Y C27 C26 C25 108.6(5) . . Y C27 C26 C31 125.7(6) . . Y C25 C26 C31 125.6(6) . . Y C26 C27 C28 110.3(5) . . Y C26 C27 C32 124.7(5) . . Y C28 C27 C32 124.8(5) . . Y C27 C28 C24 101.8(5) . . Y C27 C28 C33 113.0(5) . . Y C24 C28 C33 113.5(5) . . Y C27 C28 Si2 109.6(4) . . Y C24 C28 Si2 103.5(4) . . Y C33 C28 Si2 114.3(4) . . Y C35 C34 C39 127.3(6) . . Y C35 C34 C38 109.4(6) . . Y C39 C34 C38 123.3(6) . . Y C34 C35 C36 109.1(6) . . Y C34 C35 C40 127.1(7) . . Y C36 C35 C40 123.8(7) . . Y C37 C36 C35 109.3(6) . . Y C37 C36 C41 127.8(7) . . Y C35 C36 C41 122.8(7) . . Y C36 C37 C42 126.4(6) . . Y C36 C37 C38 109.8(6) . . Y C42 C37 C38 123.8(6) . . Y C37 C38 C34 102.4(5) . . Y C37 C38 C43 108.5(5) . . Y C34 C38 C43 110.7(5) . . Y C37 C38 Si2 113.9(4) . . Y C34 C38 Si2 114.1(4) . . Y C43 C38 Si2 107.0(4) . . Y _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.555 _refine_diff_density_min -2.137 _refine_diff_density_rms 0.127