# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2008 data_global _journal_coden_Cambridge 222 loop_ _publ_author_name 'Norihiro Tokitoh' 'Yukio Furukawa' 'Yoshiyuki Mizuhata' 'Noriyoshi Nagahora' 'Takahiro Sasamori' 'Yasuaki Watanabe' _publ_contact_author_name 'Norihiro Tokitoh' _publ_contact_author_address ; Organoelement Chemistry Institute for Chemical Research, Kyoto Univ. Gokasho, Uji Uji Kyoto 611-0011 JAPAN ; _publ_contact_author_email TOKITOH@BOC.KUICR.KYOTO-U.AC.JP _publ_requested_journal 'Dalton Transactions' _publ_section_title ; Synthesis and Properties of Stable 2-Metallanaphthalenes of Heavier Group 14 Elements ; data_2genp _database_code_depnum_ccdc_archive 'CCDC 669066' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common 2-germanaphthalene _chemical_melting_point ? _chemical_formula_moiety 'C40 H74 Ge Si6' _chemical_formula_sum 'C40 H74 Ge Si6' _chemical_formula_weight 796.12 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' Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P b c a' _symmetry_space_group_name_Hall ' -P 2ac 2ab' _symmetry_Int_Tables_number 61 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z' 'x, -y-1/2, z-1/2' _cell_length_a 9.2068(3) _cell_length_b 22.3394(7) _cell_length_c 45.9538(19) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 9451.5(6) _cell_formula_units_Z 8 _cell_measurement_temperature 103(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min 1.88 _cell_measurement_theta_max 25.00 _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.119 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3440 _exptl_absorpt_coefficient_mu 0.825 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8863 _exptl_absorpt_correction_T_max 0.9599 _exptl_absorpt_process_details 'Jacobson, R. (1998) Private communication' _exptl_special_details ; ? ; _diffrn_ambient_temperature 103(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'RIGAKU Saturn70' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 96496 _diffrn_reflns_av_R_equivalents 0.0884 _diffrn_reflns_av_sigmaI/netI 0.0477 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_l_min -54 _diffrn_reflns_limit_l_max 54 _diffrn_reflns_theta_min 1.88 _diffrn_reflns_theta_max 25.00 _reflns_number_total 8303 _reflns_number_gt 6275 _reflns_threshold_expression >2sigma(I) _computing_data_collection CrystalClear _computing_cell_refinement HKL2000 _computing_data_reduction 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution SHELXS-97 _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0649P)^2^+55.2113P] 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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8303 _refine_ls_number_parameters 506 _refine_ls_number_restraints 12 _refine_ls_R_factor_all 0.1384 _refine_ls_R_factor_gt 0.1103 _refine_ls_wR_factor_ref 0.2572 _refine_ls_wR_factor_gt 0.2453 _refine_ls_goodness_of_fit_ref 1.303 _refine_ls_restrained_S_all 1.302 _refine_ls_shift/su_max 0.000 _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 C1 C 0.0048(10) 0.0982(4) 0.16450(18) 0.052(2) Uani 1 1 d . . . H1 H -0.0614 0.0924 0.1489 0.062 Uiso 1 1 calc R . . Ge1 Ge 0.16666(10) 0.05263(4) 0.166494(17) 0.0416(3) Uani 1 1 d . . . C2 C 0.2711(9) 0.0770(3) 0.19949(16) 0.0394(18) Uani 1 1 d . . . C3 C 0.2051(9) 0.1231(3) 0.21446(17) 0.042(2) Uani 1 1 d . . . H2 H 0.2580 0.1361 0.2311 0.050 Uiso 1 1 calc R . . C4 C 0.0367(11) 0.2017(4) 0.2294(2) 0.059(3) Uani 1 1 d . . . H3 H 0.1004 0.2108 0.2451 0.071 Uiso 1 1 calc R . . C5 C -0.0871(11) 0.2337(4) 0.2263(3) 0.066(3) Uani 1 1 d . . . H4 H -0.1084 0.2645 0.2400 0.079 Uiso 1 1 calc R . . C6 C -0.1848(11) 0.2226(4) 0.2035(3) 0.068(3) Uani 1 1 d . . . H5 H -0.2713 0.2454 0.2017 0.082 Uiso 1 1 calc R . . C7 C -0.1538(10) 0.1787(4) 0.1840(2) 0.062(3) Uani 1 1 d . . . H6 H -0.2198 0.1716 0.1684 0.074 Uiso 1 1 calc R . . C8 C -0.0256(9) 0.1428(3) 0.18591(19) 0.046(2) Uani 1 1 d . . . C9 C 0.0741(10) 0.1549(3) 0.20992(18) 0.045(2) Uani 1 1 d . . . C10 C 0.4193(9) 0.0521(4) 0.21003(17) 0.045(2) Uani 1 1 d . . . C11 C 0.4637(10) -0.0004(4) 0.19167(17) 0.049(2) Uani 1 1 d . . . H7 H 0.3893 -0.0317 0.1929 0.073 Uiso 1 1 calc R . . H8 H 0.5566 -0.0163 0.1987 0.073 Uiso 1 1 calc R . . H9 H 0.4743 0.0123 0.1714 0.073 Uiso 1 1 calc R . . C12 C 0.5340(10) 0.1017(4) 0.2084(2) 0.059(2) Uani 1 1 d . . . H10 H 0.5034 0.1356 0.2205 0.089 Uiso 1 1 calc R . . H11 H 0.5448 0.1149 0.1882 0.089 Uiso 1 1 calc R . . H12 H 0.6271 0.0862 0.2155 0.089 Uiso 1 1 calc R . . C13 C 0.4038(10) 0.0324(4) 0.24234(17) 0.052(2) Uani 1 1 d . . . H13 H 0.3749 0.0668 0.2542 0.077 Uiso 1 1 calc R . . H14 H 0.4971 0.0169 0.2493 0.077 Uiso 1 1 calc R . . H15 H 0.3298 0.0010 0.2438 0.077 Uiso 1 1 calc R . . C14 C 0.2128(8) -0.0025(3) 0.13504(15) 0.0362(18) Uani 1 1 d . . . C15 C 0.1921(9) -0.0647(3) 0.13826(15) 0.0381(18) Uani 1 1 d . . . C16 C 0.2216(9) -0.1020(3) 0.11451(15) 0.0383(18) Uani 1 1 d . . . H16 H 0.2062 -0.1438 0.1165 0.046 Uiso 1 1 calc R . . C17 C 0.2730(10) -0.0798(3) 0.08795(16) 0.043(2) Uani 1 1 d . C . C18 C 0.2898(9) -0.0192(3) 0.08524(16) 0.0406(19) Uani 1 1 d . . . H17 H 0.3234 -0.0037 0.0672 0.049 Uiso 1 1 calc R . . C19 C 0.2594(10) 0.0213(3) 0.10799(16) 0.0421(19) Uani 1 1 d . B . C20 C 0.1377(9) -0.0930(4) 0.16626(16) 0.045(2) Uani 1 1 d . . . H18 H 0.1455 -0.0603 0.1811 0.054 Uiso 1 1 calc R . . C21 C 0.3126(11) -0.1237(3) 0.06329(17) 0.053(2) Uani 1 1 d . . . H19 H 0.2961 -0.1635 0.0726 0.063 Uiso 0.50 1 calc PR A 2 H20 H 0.3011 -0.1645 0.0720 0.063 Uiso 0.50 1 calc PR A 1 C22 C 0.2718(10) 0.0888(4) 0.10234(16) 0.050(2) Uani 1 1 d . . . H21 H 0.2503 0.1066 0.1218 0.060 Uiso 0.65(2) 1 calc PR B 1 H22 H 0.2520 0.1070 0.1218 0.060 Uiso 0.35(2) 1 calc PR B 2 Si1 Si -0.0653(3) -0.11019(10) 0.16433(5) 0.0480(6) Uani 1 1 d . . . C23 C -0.1130(11) -0.1740(4) 0.13964(18) 0.058(2) Uani 1 1 d . . . H23 H -0.0800 -0.1649 0.1198 0.087 Uiso 1 1 calc R . . H24 H -0.2185 -0.1798 0.1396 0.087 Uiso 1 1 calc R . . H25 H -0.0653 -0.2105 0.1465 0.087 Uiso 1 1 calc R . . C24 C -0.1681(12) -0.0431(5) 0.1508(3) 0.084(4) Uani 1 1 d . . . H26 H -0.1462 -0.0085 0.1631 0.126 Uiso 1 1 calc R . . H27 H -0.2725 -0.0513 0.1514 0.126 Uiso 1 1 calc R . . H28 H -0.1391 -0.0343 0.1307 0.126 Uiso 1 1 calc R . . C25 C -0.1281(12) -0.1271(4) 0.20233(19) 0.063(3) Uani 1 1 d . . . H29 H -0.1029 -0.0937 0.2152 0.094 Uiso 1 1 calc R . . H30 H -0.0805 -0.1637 0.2093 0.094 Uiso 1 1 calc R . . H31 H -0.2336 -0.1329 0.2024 0.094 Uiso 1 1 calc R . . Si2 Si 0.2571(3) -0.15596(11) 0.18127(4) 0.0467(6) Uani 1 1 d . . . C26 C 0.4422(10) -0.1542(4) 0.16566(19) 0.059(2) Uani 1 1 d . . . H32 H 0.4849 -0.1145 0.1687 0.088 Uiso 1 1 calc R . . H33 H 0.4372 -0.1626 0.1448 0.088 Uiso 1 1 calc R . . H34 H 0.5025 -0.1845 0.1752 0.088 Uiso 1 1 calc R . . C27 C 0.1839(12) -0.2333(4) 0.1745(2) 0.067(3) Uani 1 1 d . . . H35 H 0.0854 -0.2363 0.1824 0.100 Uiso 1 1 calc R . . H36 H 0.2467 -0.2628 0.1840 0.100 Uiso 1 1 calc R . . H37 H 0.1814 -0.2410 0.1535 0.100 Uiso 1 1 calc R . . C28 C 0.2693(11) -0.1439(4) 0.22172(16) 0.054(2) Uani 1 1 d . . . H38 H 0.1715 -0.1448 0.2302 0.082 Uiso 1 1 calc R . . H39 H 0.3143 -0.1050 0.2256 0.082 Uiso 1 1 calc R . . H40 H 0.3284 -0.1757 0.2304 0.082 Uiso 1 1 calc R . . Si3 Si 0.1139(4) 0.11612(12) 0.07903(6) 0.0660(8) Uani 1 1 d . B . C29 C -0.0390(12) 0.0612(5) 0.0792(2) 0.075(3) Uani 1 1 d . . . H41 H -0.0051 0.0228 0.0714 0.113 Uiso 1 1 calc R B . H42 H -0.1186 0.0764 0.0671 0.113 Uiso 1 1 calc R . . H43 H -0.0734 0.0555 0.0992 0.113 Uiso 1 1 calc R . . C30 C 0.0417(17) 0.1891(5) 0.0944(3) 0.108(5) Uani 1 1 d . . . H44 H 0.1196 0.2190 0.0946 0.163 Uiso 1 1 calc R B . H45 H 0.0067 0.1825 0.1142 0.163 Uiso 1 1 calc R . . H46 H -0.0385 0.2034 0.0822 0.163 Uiso 1 1 calc R . . C31 C 0.1663(14) 0.1270(5) 0.0394(2) 0.084(4) Uani 1 1 d . . . H47 H 0.2467 0.1556 0.0381 0.126 Uiso 1 1 calc R B . H48 H 0.0827 0.1424 0.0285 0.126 Uiso 1 1 calc R . . H49 H 0.1967 0.0886 0.0311 0.126 Uiso 1 1 calc R . . Si4 Si 0.4430(12) 0.1231(5) 0.09269(18) 0.045(2) Uani 0.65(2) 1 d P B 1 Si5 Si 0.488(2) 0.1059(8) 0.0957(4) 0.043(3) Uani 0.35(2) 1 d P B 2 C32 C 0.5324(12) 0.0974(5) 0.0579(2) 0.070(3) Uani 1 1 d . . . H50 H 0.6237 0.1192 0.0552 0.106 Uiso 0.65(2) 1 calc PR B 1 H51 H 0.4676 0.1054 0.0415 0.106 Uiso 0.65(2) 1 calc PR B 1 H52 H 0.5524 0.0544 0.0591 0.106 Uiso 0.65(2) 1 calc PR B 1 H53 H 0.4689 0.1231 0.0462 0.106 Uiso 0.35(2) 1 calc PR B 2 H54 H 0.5186 0.0556 0.0522 0.106 Uiso 0.35(2) 1 calc PR B 2 H55 H 0.6339 0.1090 0.0548 0.106 Uiso 0.35(2) 1 calc PR B 2 C33 C 0.426(3) 0.2073(7) 0.0878(4) 0.075(7) Uani 0.65(2) 1 d P B 1 H56 H 0.5204 0.2242 0.0826 0.112 Uiso 0.65(2) 1 calc PR B 1 H57 H 0.3920 0.2254 0.1061 0.112 Uiso 0.65(2) 1 calc PR B 1 H58 H 0.3556 0.2159 0.0723 0.112 Uiso 0.65(2) 1 calc PR B 1 C34 C 0.574(2) 0.1105(10) 0.1234(4) 0.081(7) Uani 0.65(2) 1 d P B 1 H59 H 0.6674 0.1287 0.1186 0.121 Uiso 0.65(2) 1 calc PR B 1 H60 H 0.5865 0.0674 0.1265 0.121 Uiso 0.65(2) 1 calc PR B 1 H61 H 0.5350 0.1287 0.1412 0.121 Uiso 0.65(2) 1 calc PR B 1 C35 C 0.507(5) 0.1847(14) 0.1086(13) 0.109(19) Uani 0.35(2) 1 d P B 2 H62 H 0.4814 0.1869 0.1293 0.163 Uiso 0.35(2) 1 calc PR B 2 H63 H 0.4412 0.2105 0.0974 0.163 Uiso 0.35(2) 1 calc PR B 2 H64 H 0.6071 0.1981 0.1058 0.163 Uiso 0.35(2) 1 calc PR B 2 C36 C 0.609(3) 0.0574(18) 0.1160(7) 0.070(11) Uani 0.35(2) 1 d P B 2 H65 H 0.5884 0.0608 0.1368 0.105 Uiso 0.35(2) 1 calc PR B 2 H66 H 0.7102 0.0692 0.1123 0.105 Uiso 0.35(2) 1 calc PR B 2 H67 H 0.5949 0.0158 0.1097 0.105 Uiso 0.35(2) 1 calc PR B 2 Si6 Si 0.161(5) -0.1217(14) 0.0333(7) 0.065(8) Uani 0.50 1 d PU C 2 Si7 Si 0.4969(17) -0.1291(5) 0.0516(3) 0.050(3) Uani 0.50 1 d P C 2 C37 C 0.1775(12) -0.0502(4) 0.0122(2) 0.067(3) Uani 1 1 d . . . H68 H 0.2753 -0.0472 0.0039 0.101 Uiso 0.50 1 calc PR C 2 H69 H 0.1603 -0.0161 0.0252 0.101 Uiso 0.50 1 calc PR C 2 H70 H 0.1055 -0.0498 -0.0035 0.101 Uiso 0.50 1 calc PR C 2 H71 H 0.1086 -0.0550 -0.0039 0.101 Uiso 0.50 1 calc PR C 1 H72 H 0.2729 -0.0391 0.0045 0.101 Uiso 0.50 1 calc PR C 1 H73 H 0.1430 -0.0186 0.0253 0.101 Uiso 0.50 1 calc PR C 1 C38 C -0.028(4) -0.1239(17) 0.0483(10) 0.061(9) Uani 0.50 1 d PU C 2 H74 H -0.0419 -0.1607 0.0595 0.091 Uiso 0.50 1 calc PR C 2 H75 H -0.0983 -0.1229 0.0322 0.091 Uiso 0.50 1 calc PR C 2 H76 H -0.0441 -0.0891 0.0609 0.091 Uiso 0.50 1 calc PR C 2 C39 C 0.173(3) -0.1881(12) 0.0070(5) 0.068(7) Uani 0.50 1 d P C 2 H77 H 0.2680 -0.1879 -0.0026 0.101 Uiso 0.50 1 calc PR C 2 H78 H 0.0961 -0.1849 -0.0076 0.101 Uiso 0.50 1 calc PR C 2 H79 H 0.1613 -0.2255 0.0179 0.101 Uiso 0.50 1 calc PR C 2 C40 C 0.5656(12) -0.0649(4) 0.0273(2) 0.075(3) Uani 1 1 d . . . H80 H 0.6674 -0.0720 0.0221 0.112 Uiso 0.50 1 calc PR C 2 H81 H 0.5575 -0.0269 0.0378 0.112 Uiso 0.50 1 calc PR C 2 H82 H 0.5067 -0.0631 0.0095 0.112 Uiso 0.50 1 calc PR C 2 H83 H 0.5150 -0.0801 0.0100 0.112 Uiso 0.50 1 calc PR C 1 H84 H 0.6703 -0.0637 0.0235 0.112 Uiso 0.50 1 calc PR C 1 H85 H 0.5307 -0.0245 0.0317 0.112 Uiso 0.50 1 calc PR C 1 C41 C 0.533(3) -0.1977(8) 0.0291(5) 0.065(6) Uani 0.50 1 d P C 2 H86 H 0.6352 -0.1984 0.0233 0.098 Uiso 0.50 1 calc PR C 2 H87 H 0.4713 -0.1968 0.0117 0.098 Uiso 0.50 1 calc PR C 2 H88 H 0.5106 -0.2335 0.0406 0.098 Uiso 0.50 1 calc PR C 2 C42 C 0.602(2) -0.1347(13) 0.0859(4) 0.085(8) Uani 0.50 1 d P C 2 H89 H 0.7053 -0.1379 0.0814 0.127 Uiso 0.50 1 calc PR C 2 H90 H 0.5704 -0.1703 0.0967 0.127 Uiso 0.50 1 calc PR C 2 H91 H 0.5843 -0.0990 0.0977 0.127 Uiso 0.50 1 calc PR C 2 Si8 Si 0.193(5) -0.1227(10) 0.0329(5) 0.049(5) Uani 0.50 1 d PU C 1 Si9 Si 0.5301(16) -0.1133(5) 0.0576(3) 0.047(2) Uani 0.50 1 d P C 1 C43 C 0.018(4) -0.1415(18) 0.0495(9) 0.068(10) Uani 0.50 1 d PU C 1 H92 H -0.0574 -0.1420 0.0345 0.102 Uiso 0.50 1 calc PR C 1 H93 H -0.0060 -0.1115 0.0643 0.102 Uiso 0.50 1 calc PR C 1 H94 H 0.0246 -0.1811 0.0586 0.102 Uiso 0.50 1 calc PR C 1 C44 C 0.258(3) -0.1810(11) 0.0075(6) 0.063(8) Uani 0.50 1 d P C 1 H95 H 0.1954 -0.1822 -0.0097 0.095 Uiso 0.50 1 calc PR C 1 H96 H 0.2568 -0.2200 0.0172 0.095 Uiso 0.50 1 calc PR C 1 H97 H 0.3580 -0.1716 0.0015 0.095 Uiso 0.50 1 calc PR C 1 C45 C 0.607(3) -0.1916(9) 0.0499(6) 0.081(7) Uani 0.50 1 d P C 1 H98 H 0.5869 -0.2178 0.0666 0.121 Uiso 0.50 1 calc PR C 1 H99 H 0.7117 -0.1889 0.0468 0.121 Uiso 0.50 1 calc PR C 1 H100 H 0.5603 -0.2081 0.0325 0.121 Uiso 0.50 1 calc PR C 1 C46 C 0.628(2) -0.0828(8) 0.0897(3) 0.050(4) Uani 0.50 1 d P C 1 H101 H 0.6104 -0.1085 0.1066 0.075 Uiso 0.50 1 calc PR C 1 H102 H 0.5928 -0.0423 0.0938 0.075 Uiso 0.50 1 calc PR C 1 H103 H 0.7324 -0.0814 0.0855 0.075 Uiso 0.50 1 calc PR C 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_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.055(6) 0.056(5) 0.044(5) 0.012(4) 0.008(4) 0.001(4) Ge1 0.0477(5) 0.0459(5) 0.0310(4) 0.0024(4) 0.0027(4) 0.0043(4) C2 0.048(5) 0.034(4) 0.037(4) 0.004(3) 0.006(4) -0.005(4) C3 0.049(5) 0.031(4) 0.044(4) 0.004(3) 0.006(4) -0.003(4) C4 0.072(7) 0.037(5) 0.068(6) 0.001(4) 0.017(5) -0.007(5) C5 0.059(7) 0.036(5) 0.102(8) 0.000(5) 0.028(6) -0.002(5) C6 0.048(6) 0.034(5) 0.122(9) 0.011(6) 0.023(6) 0.002(5) C7 0.047(6) 0.050(6) 0.088(7) 0.023(5) 0.020(5) 0.000(5) C8 0.043(5) 0.033(4) 0.064(5) 0.016(4) 0.016(4) 0.002(4) C9 0.049(5) 0.035(4) 0.050(5) 0.004(4) 0.014(4) -0.008(4) C10 0.044(5) 0.051(5) 0.041(4) 0.002(4) 0.001(4) -0.002(4) C11 0.057(6) 0.048(5) 0.042(5) -0.004(4) 0.002(4) 0.012(4) C12 0.046(6) 0.065(6) 0.068(6) 0.002(5) 0.003(5) -0.010(5) C13 0.054(6) 0.057(5) 0.044(5) 0.005(4) -0.001(4) -0.004(5) C14 0.041(5) 0.040(4) 0.027(4) 0.003(3) 0.001(3) -0.002(4) C15 0.045(5) 0.039(4) 0.030(4) 0.007(3) 0.002(3) 0.003(4) C16 0.049(5) 0.030(4) 0.035(4) 0.007(3) 0.006(4) 0.004(4) C17 0.062(6) 0.034(4) 0.035(4) 0.006(3) 0.010(4) -0.002(4) C18 0.050(5) 0.042(5) 0.030(4) 0.004(3) 0.013(3) 0.000(4) C19 0.052(5) 0.039(4) 0.035(4) 0.005(3) 0.000(4) -0.011(4) C20 0.063(6) 0.046(5) 0.026(4) 0.007(3) 0.012(4) 0.008(4) C21 0.088(7) 0.027(4) 0.044(5) 0.010(3) 0.024(5) 0.016(4) C22 0.074(6) 0.047(5) 0.030(4) -0.003(4) 0.002(4) -0.016(5) Si1 0.0590(16) 0.0448(13) 0.0403(12) 0.0065(10) 0.0171(11) -0.0004(12) C23 0.063(6) 0.070(6) 0.041(5) -0.008(4) 0.001(4) 0.009(5) C24 0.060(7) 0.065(7) 0.127(10) 0.039(7) 0.018(7) 0.004(6) C25 0.084(7) 0.056(6) 0.049(5) -0.013(4) 0.023(5) -0.023(5) Si2 0.0688(17) 0.0420(13) 0.0293(10) 0.0080(9) 0.0011(11) 0.0066(12) C26 0.066(6) 0.063(6) 0.047(5) 0.010(5) -0.005(5) 0.017(5) C27 0.097(8) 0.044(5) 0.060(6) 0.000(4) -0.025(6) 0.009(5) C28 0.077(7) 0.056(5) 0.029(4) 0.009(4) 0.002(4) 0.006(5) Si3 0.105(2) 0.0406(14) 0.0521(15) 0.0138(12) 0.0053(15) 0.0078(15) C29 0.088(8) 0.076(7) 0.063(6) 0.006(5) -0.016(6) 0.005(6) C30 0.173(15) 0.052(7) 0.100(10) 0.012(6) 0.025(10) 0.024(8) C31 0.129(11) 0.075(7) 0.047(5) 0.021(5) -0.010(6) -0.016(7) Si4 0.058(5) 0.043(5) 0.033(2) 0.006(3) -0.004(3) -0.011(3) Si5 0.045(8) 0.036(7) 0.049(6) 0.005(5) 0.007(5) -0.001(5) C32 0.075(7) 0.071(7) 0.065(6) 0.004(5) 0.007(6) -0.015(6) C33 0.134(18) 0.036(8) 0.054(9) -0.002(7) 0.012(10) -0.033(10) C34 0.090(14) 0.092(17) 0.061(10) 0.016(10) -0.003(9) -0.036(12) C35 0.10(3) 0.05(2) 0.18(5) -0.02(3) 0.03(3) -0.01(2) C36 0.039(16) 0.09(3) 0.08(2) 0.03(2) 0.012(14) -0.021(17) Si6 0.091(18) 0.055(8) 0.050(9) -0.005(6) 0.009(8) -0.007(6) Si7 0.074(7) 0.034(6) 0.041(5) -0.001(3) 0.020(4) -0.004(4) C37 0.096(8) 0.055(6) 0.051(5) 0.003(5) 0.000(5) -0.011(6) C38 0.05(2) 0.07(2) 0.060(14) -0.001(16) -0.026(14) -0.010(15) C39 0.10(2) 0.057(15) 0.045(11) -0.005(10) 0.002(16) -0.018(16) C40 0.083(8) 0.053(6) 0.089(8) 0.011(5) 0.030(6) -0.018(6) C41 0.066(15) 0.037(10) 0.093(17) -0.007(11) 0.016(12) 0.000(10) C42 0.065(15) 0.15(2) 0.042(11) -0.022(13) -0.004(10) -0.002(16) Si8 0.091(16) 0.029(6) 0.028(6) -0.010(4) 0.031(7) -0.023(7) Si9 0.065(7) 0.032(6) 0.043(6) 0.003(4) 0.024(4) 0.004(4) C43 0.08(3) 0.08(2) 0.046(12) 0.020(14) -0.004(17) 0.004(17) C44 0.10(2) 0.036(10) 0.054(12) -0.027(9) 0.030(16) -0.041(15) C45 0.063(15) 0.057(13) 0.12(2) 0.003(14) 0.042(15) -0.012(12) C46 0.065(13) 0.049(10) 0.036(9) 0.000(8) 0.006(8) 0.001(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 C1 C8 1.427(12) . ? C1 Ge1 1.807(9) . ? C1 H1 0.9500 . ? Ge1 C2 1.876(8) . ? Ge1 C14 1.946(7) . ? C2 C3 1.380(11) . ? C2 C10 1.550(12) . ? C3 C9 1.415(12) . ? C3 H2 0.9500 . ? C4 C5 1.353(13) . ? C4 C9 1.420(11) . ? C4 H3 0.9500 . ? C5 C6 1.405(15) . ? C5 H4 0.9500 . ? C6 C7 1.360(14) . ? C6 H5 0.9500 . ? C7 C8 1.430(12) . ? C7 H6 0.9500 . ? C8 C9 1.460(12) . ? C10 C11 1.503(11) . ? C10 C12 1.531(12) . ? C10 C13 1.555(11) . ? C11 H7 0.9800 . ? C11 H8 0.9800 . ? C11 H9 0.9800 . ? C12 H10 0.9800 . ? C12 H11 0.9800 . ? C12 H12 0.9800 . ? C13 H13 0.9800 . ? C13 H14 0.9800 . ? C13 H15 0.9800 . ? C14 C15 1.409(10) . ? C14 C19 1.419(10) . ? C15 C16 1.400(10) . ? C15 C20 1.519(10) . ? C16 C17 1.399(10) . ? C16 H16 0.9500 . ? C17 C18 1.369(11) . ? C17 C21 1.542(11) . ? C18 C19 1.411(10) . ? C18 H17 0.9500 . ? C19 C22 1.534(11) . ? C20 Si1 1.910(9) . ? C20 Si2 1.915(8) . ? C20 H18 1.0000 . ? C21 Si8 1.78(4) . ? C21 Si7 1.784(19) . ? C21 Si6 1.96(5) . ? C21 Si9 2.032(17) . ? C21 H19 1.0000 . ? C21 H20 1.0000 . ? C22 Si4 1.807(13) . ? C22 Si3 1.906(10) . ? C22 Si5 2.05(2) . ? C22 H21 1.0000 . ? C22 H22 1.0000 . ? Si1 C23 1.873(9) . ? Si1 C25 1.878(9) . ? Si1 C24 1.880(10) . ? C23 H23 0.9800 . ? C23 H24 0.9800 . ? C23 H25 0.9800 . ? C24 H26 0.9800 . ? C24 H27 0.9800 . ? C24 H28 0.9800 . ? C25 H29 0.9800 . ? C25 H30 0.9800 . ? C25 H31 0.9800 . ? Si2 C26 1.849(10) . ? Si2 C27 1.880(9) . ? Si2 C28 1.882(8) . ? C26 H32 0.9800 . ? C26 H33 0.9800 . ? C26 H34 0.9800 . ? C27 H35 0.9800 . ? C27 H36 0.9800 . ? C27 H37 0.9800 . ? C28 H38 0.9800 . ? C28 H39 0.9800 . ? C28 H40 0.9800 . ? Si3 C29 1.867(11) . ? Si3 C30 1.896(11) . ? Si3 C31 1.901(10) . ? C29 H41 0.9800 . ? C29 H42 0.9800 . ? C29 H43 0.9800 . ? C30 H44 0.9800 . ? C30 H45 0.9800 . ? C30 H46 0.9800 . ? C31 H47 0.9800 . ? C31 H48 0.9800 . ? C31 H49 0.9800 . ? Si4 C34 1.876(19) . ? Si4 C32 1.885(14) . ? Si4 C33 1.902(16) . ? Si5 C32 1.79(2) . ? Si5 C36 1.81(3) . ? Si5 C35 1.86(3) . ? C32 H50 0.9800 . ? C32 H51 0.9800 . ? C32 H52 0.9800 . ? C32 H53 0.9800 . ? C32 H54 0.9800 . ? C32 H55 0.9800 . ? C33 H56 0.9800 . ? C33 H57 0.9800 . ? C33 H58 0.9800 . ? C34 H59 0.9800 . ? C34 H60 0.9800 . ? C34 H61 0.9800 . ? C35 H62 0.9800 . ? C35 H63 0.9800 . ? C35 H64 0.9800 . ? C36 H65 0.9800 . ? C36 H66 0.9800 . ? C36 H67 0.9800 . ? Si6 C37 1.87(3) . ? Si6 C38 1.87(6) . ? Si6 C39 1.92(4) . ? Si7 C42 1.85(2) . ? Si7 C41 1.88(2) . ? Si7 C40 1.926(17) . ? C37 Si8 1.88(3) . ? C37 H68 0.9800 . ? C37 H69 0.9800 . ? C37 H70 0.9800 . ? C37 H71 0.9800 . ? C37 H72 0.9800 . ? C37 H73 0.9800 . ? C38 H74 0.9800 . ? C38 H75 0.9800 . ? C38 H76 0.9800 . ? C39 H77 0.9800 . ? C39 H78 0.9800 . ? C39 H79 0.9800 . ? C40 Si9 1.795(17) . ? C40 H80 0.9800 . ? C40 H81 0.9800 . ? C40 H82 0.9800 . ? C40 H83 0.9800 . ? C40 H84 0.9800 . ? C40 H85 0.9800 . ? C41 H86 0.9800 . ? C41 H87 0.9800 . ? C41 H88 0.9800 . ? C42 H89 0.9800 . ? C42 H90 0.9800 . ? C42 H91 0.9800 . ? Si8 C43 1.83(6) . ? Si8 C44 1.85(3) . ? Si9 C46 1.86(2) . ? Si9 C45 1.92(2) . ? C43 H92 0.9800 . ? C43 H93 0.9800 . ? C43 H94 0.9800 . ? C44 H95 0.9800 . ? C44 H96 0.9800 . ? C44 H97 0.9800 . ? C45 H98 0.9800 . ? C45 H99 0.9800 . ? C45 H100 0.9800 . ? C46 H101 0.9800 . ? C46 H102 0.9800 . ? C46 H103 0.9800 . ? 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 C8 C1 Ge1 121.3(7) . . ? C8 C1 H1 119.4 . . ? Ge1 C1 H1 119.4 . . ? C1 Ge1 C2 107.5(4) . . ? C1 Ge1 C14 119.9(4) . . ? C2 Ge1 C14 132.2(3) . . ? C3 C2 C10 119.9(7) . . ? C3 C2 Ge1 113.2(6) . . ? C10 C2 Ge1 126.8(6) . . ? C2 C3 C9 132.6(8) . . ? C2 C3 H2 113.7 . . ? C9 C3 H2 113.7 . . ? C5 C4 C9 121.8(10) . . ? C5 C4 H3 119.1 . . ? C9 C4 H3 119.1 . . ? C4 C5 C6 121.6(10) . . ? C4 C5 H4 119.2 . . ? C6 C5 H4 119.2 . . ? C7 C6 C5 119.2(10) . . ? C7 C6 H5 120.4 . . ? C5 C6 H5 120.4 . . ? C6 C7 C8 122.4(11) . . ? C6 C7 H6 118.8 . . ? C8 C7 H6 118.8 . . ? C1 C8 C7 120.6(9) . . ? C1 C8 C9 121.8(8) . . ? C7 C8 C9 117.5(8) . . ? C3 C9 C4 118.8(8) . . ? C3 C9 C8 123.6(7) . . ? C4 C9 C8 117.5(8) . . ? C11 C10 C12 110.5(7) . . ? C11 C10 C2 110.1(7) . . ? C12 C10 C2 109.5(7) . . ? C11 C10 C13 109.8(7) . . ? C12 C10 C13 108.3(7) . . ? C2 C10 C13 108.6(7) . . ? C10 C11 H7 109.5 . . ? C10 C11 H8 109.5 . . ? H7 C11 H8 109.5 . . ? C10 C11 H9 109.5 . . ? H7 C11 H9 109.5 . . ? H8 C11 H9 109.5 . . ? C10 C12 H10 109.5 . . ? C10 C12 H11 109.5 . . ? H10 C12 H11 109.5 . . ? C10 C12 H12 109.5 . . ? H10 C12 H12 109.5 . . ? H11 C12 H12 109.5 . . ? C10 C13 H13 109.5 . . ? C10 C13 H14 109.5 . . ? H13 C13 H14 109.5 . . ? C10 C13 H15 109.5 . . ? H13 C13 H15 109.5 . . ? H14 C13 H15 109.5 . . ? C15 C14 C19 120.2(7) . . ? C15 C14 Ge1 121.1(5) . . ? C19 C14 Ge1 118.6(6) . . ? C16 C15 C14 118.6(6) . . ? C16 C15 C20 118.5(7) . . ? C14 C15 C20 122.9(7) . . ? C17 C16 C15 122.4(7) . . ? C17 C16 H16 118.8 . . ? C15 C16 H16 118.8 . . ? C18 C17 C16 117.8(7) . . ? C18 C17 C21 122.4(7) . . ? C16 C17 C21 119.8(7) . . ? C17 C18 C19 123.0(7) . . ? C17 C18 H17 118.5 . . ? C19 C18 H17 118.5 . . ? C18 C19 C14 117.9(7) . . ? C18 C19 C22 119.4(7) . . ? C14 C19 C22 122.7(7) . . ? C15 C20 Si1 111.6(6) . . ? C15 C20 Si2 114.9(5) . . ? Si1 C20 Si2 115.5(4) . . ? C15 C20 H18 104.4 . . ? Si1 C20 H18 104.4 . . ? Si2 C20 H18 104.4 . . ? C17 C21 Si8 115.0(12) . . ? C17 C21 Si7 119.2(7) . . ? Si8 C21 Si7 110.8(13) . . ? C17 C21 Si6 109.5(12) . . ? Si8 C21 Si6 7(2) . . ? Si7 C21 Si6 117.9(12) . . ? C17 C21 Si9 104.8(7) . . ? Si8 C21 Si9 120.5(12) . . ? Si7 C21 Si9 14.5(4) . . ? Si6 C21 Si9 127.4(11) . . ? C17 C21 H19 102.4 . . ? Si8 C21 H19 104.7 . . ? Si7 C21 H19 102.4 . . ? Si6 C21 H19 102.4 . . ? Si9 C21 H19 107.9 . . ? C17 C21 H20 105.0 . . ? Si8 C21 H20 105.0 . . ? Si7 C21 H20 99.2 . . ? Si6 C21 H20 103.1 . . ? Si9 C21 H20 105.0 . . ? H19 C21 H20 3.4 . . ? C19 C22 Si4 121.5(8) . . ? C19 C22 Si3 110.6(6) . . ? Si4 C22 Si3 113.1(5) . . ? C19 C22 Si5 106.3(8) . . ? Si4 C22 Si5 15.8(4) . . ? Si3 C22 Si5 126.7(7) . . ? C19 C22 H21 103.0 . . ? Si4 C22 H21 103.0 . . ? Si3 C22 H21 103.0 . . ? Si5 C22 H21 104.6 . . ? C19 C22 H22 103.5 . . ? Si4 C22 H22 101.9 . . ? Si3 C22 H22 103.5 . . ? Si5 C22 H22 103.5 . . ? H21 C22 H22 1.0 . . ? C23 Si1 C25 109.7(4) . . ? C23 Si1 C24 106.7(5) . . ? C25 Si1 C24 108.3(5) . . ? C23 Si1 C20 114.2(4) . . ? C25 Si1 C20 107.4(4) . . ? C24 Si1 C20 110.3(4) . . ? Si1 C23 H23 109.5 . . ? Si1 C23 H24 109.5 . . ? H23 C23 H24 109.5 . . ? Si1 C23 H25 109.5 . . ? H23 C23 H25 109.5 . . ? H24 C23 H25 109.5 . . ? Si1 C24 H26 109.5 . . ? Si1 C24 H27 109.5 . . ? H26 C24 H27 109.5 . . ? Si1 C24 H28 109.5 . . ? H26 C24 H28 109.5 . . ? H27 C24 H28 109.5 . . ? Si1 C25 H29 109.5 . . ? Si1 C25 H30 109.5 . . ? H29 C25 H30 109.5 . . ? Si1 C25 H31 109.5 . . ? H29 C25 H31 109.5 . . ? H30 C25 H31 109.5 . . ? C26 Si2 C27 106.6(5) . . ? C26 Si2 C28 109.0(4) . . ? C27 Si2 C28 108.5(4) . . ? C26 Si2 C20 111.9(4) . . ? C27 Si2 C20 114.2(4) . . ? C28 Si2 C20 106.5(4) . . ? Si2 C26 H32 109.5 . . ? Si2 C26 H33 109.5 . . ? H32 C26 H33 109.5 . . ? Si2 C26 H34 109.5 . . ? H32 C26 H34 109.5 . . ? H33 C26 H34 109.5 . . ? Si2 C27 H35 109.5 . . ? Si2 C27 H36 109.5 . . ? H35 C27 H36 109.5 . . ? Si2 C27 H37 109.5 . . ? H35 C27 H37 109.5 . . ? H36 C27 H37 109.5 . . ? Si2 C28 H38 109.5 . . ? Si2 C28 H39 109.5 . . ? H38 C28 H39 109.5 . . ? Si2 C28 H40 109.5 . . ? H38 C28 H40 109.5 . . ? H39 C28 H40 109.5 . . ? C29 Si3 C30 107.4(6) . . ? C29 Si3 C31 106.2(5) . . ? C30 Si3 C31 109.6(5) . . ? C29 Si3 C22 111.2(4) . . ? C30 Si3 C22 109.5(5) . . ? C31 Si3 C22 112.7(5) . . ? Si3 C29 H41 109.5 . . ? Si3 C29 H42 109.5 . . ? H41 C29 H42 109.5 . . ? Si3 C29 H43 109.5 . . ? H41 C29 H43 109.5 . . ? H42 C29 H43 109.5 . . ? Si3 C30 H44 109.5 . . ? Si3 C30 H45 109.5 . . ? H44 C30 H45 109.5 . . ? Si3 C30 H46 109.5 . . ? H44 C30 H46 109.5 . . ? H45 C30 H46 109.5 . . ? Si3 C31 H47 109.5 . . ? Si3 C31 H48 109.5 . . ? H47 C31 H48 109.5 . . ? Si3 C31 H49 109.5 . . ? H47 C31 H49 109.5 . . ? H48 C31 H49 109.5 . . ? C22 Si4 C34 108.1(7) . . ? C22 Si4 C32 117.4(6) . . ? C34 Si4 C32 108.2(8) . . ? C22 Si4 C33 112.0(8) . . ? C34 Si4 C33 106.9(9) . . ? C32 Si4 C33 103.8(7) . . ? C32 Si5 C36 107.1(13) . . ? C32 Si5 C35 112.7(17) . . ? C36 Si5 C35 110(2) . . ? C32 Si5 C22 110.1(10) . . ? C36 Si5 C22 114.2(12) . . ? C35 Si5 C22 102.6(14) . . ? Si5 C32 Si4 18.0(4) . . ? Si5 C32 H50 105.5 . . ? Si4 C32 H50 109.5 . . ? Si5 C32 H51 126.2 . . ? Si4 C32 H51 109.5 . . ? H50 C32 H51 109.5 . . ? Si5 C32 H52 95.4 . . ? Si4 C32 H52 109.5 . . ? H50 C32 H52 109.5 . . ? H51 C32 H52 109.5 . . ? Si5 C32 H53 109.5 . . ? Si4 C32 H53 91.5 . . ? H50 C32 H53 98.6 . . ? H51 C32 H53 26.8 . . ? H52 C32 H53 135.8 . . ? Si5 C32 H54 109.5 . . ? Si4 C32 H54 117.5 . . ? H50 C32 H54 123.4 . . ? H51 C32 H54 83.4 . . ? H52 C32 H54 26.3 . . ? H53 C32 H54 109.5 . . ? Si5 C32 H55 109.5 . . ? Si4 C32 H55 117.6 . . ? H50 C32 H55 14.6 . . ? H51 C32 H55 114.7 . . ? H52 C32 H55 95.0 . . ? H53 C32 H55 109.5 . . ? H54 C32 H55 109.5 . . ? Si4 C33 H56 109.5 . . ? Si4 C33 H57 109.5 . . ? H56 C33 H57 109.5 . . ? Si4 C33 H58 109.5 . . ? H56 C33 H58 109.5 . . ? H57 C33 H58 109.5 . . ? Si4 C34 H59 109.5 . . ? Si4 C34 H60 109.5 . . ? H59 C34 H60 109.5 . . ? Si4 C34 H61 109.5 . . ? H59 C34 H61 109.5 . . ? H60 C34 H61 109.5 . . ? Si5 C35 H62 109.5 . . ? Si5 C35 H63 109.5 . . ? H62 C35 H63 109.5 . . ? Si5 C35 H64 109.5 . . ? H62 C35 H64 109.5 . . ? H63 C35 H64 109.5 . . ? Si5 C36 H65 109.5 . . ? Si5 C36 H66 109.5 . . ? H65 C36 H66 109.5 . . ? Si5 C36 H67 109.5 . . ? H65 C36 H67 109.5 . . ? H66 C36 H67 109.5 . . ? C37 Si6 C38 107(3) . . ? C37 Si6 C39 109.2(17) . . ? C38 Si6 C39 105(2) . . ? C37 Si6 C21 108.9(18) . . ? C38 Si6 C21 113.8(19) . . ? C39 Si6 C21 113(2) . . ? C21 Si7 C42 104.1(10) . . ? C21 Si7 C41 112.8(9) . . ? C42 Si7 C41 108.8(14) . . ? C21 Si7 C40 115.9(10) . . ? C42 Si7 C40 112.0(11) . . ? C41 Si7 C40 103.2(10) . . ? Si6 C37 Si8 9(3) . . ? Si6 C37 H68 109.5 . . ? Si8 C37 H68 100.7 . . ? Si6 C37 H69 109.5 . . ? Si8 C37 H69 111.9 . . ? H68 C37 H69 109.5 . . ? Si6 C37 H70 109.5 . . ? Si8 C37 H70 115.4 . . ? H68 C37 H70 109.5 . . ? H69 C37 H70 109.5 . . ? Si6 C37 H71 104.1 . . ? Si8 C37 H71 109.5 . . ? H68 C37 H71 108.0 . . ? H69 C37 H71 116.2 . . ? H70 C37 H71 7.1 . . ? Si6 C37 H72 118.4 . . ? Si8 C37 H72 109.5 . . ? H68 C37 H72 10.8 . . ? H69 C37 H72 99.9 . . ? H70 C37 H72 109.6 . . ? H71 C37 H72 109.5 . . ? Si6 C37 H73 105.6 . . ? Si8 C37 H73 109.5 . . ? H68 C37 H73 119.3 . . ? H69 C37 H73 9.9 . . ? H70 C37 H73 103.2 . . ? H71 C37 H73 109.5 . . ? H72 C37 H73 109.5 . . ? Si6 C38 H74 109.5 . . ? Si6 C38 H75 109.5 . . ? H74 C38 H75 109.5 . . ? Si6 C38 H76 109.5 . . ? H74 C38 H76 109.5 . . ? H75 C38 H76 109.5 . . ? Si6 C39 H77 109.5 . . ? Si6 C39 H78 109.5 . . ? H77 C39 H78 109.5 . . ? Si6 C39 H79 109.5 . . ? H77 C39 H79 109.5 . . ? H78 C39 H79 109.5 . . ? Si9 C40 Si7 16.2(5) . . ? Si9 C40 H80 105.3 . . ? Si7 C40 H80 109.5 . . ? Si9 C40 H81 97.2 . . ? Si7 C40 H81 109.5 . . ? H80 C40 H81 109.5 . . ? Si9 C40 H82 124.8 . . ? Si7 C40 H82 109.5 . . ? H80 C40 H82 109.5 . . ? H81 C40 H82 109.5 . . ? Si9 C40 H83 109.5 . . ? Si7 C40 H83 93.3 . . ? H80 C40 H83 101.6 . . ? H81 C40 H83 131.5 . . ? H82 C40 H83 22.8 . . ? Si9 C40 H84 109.5 . . ? Si7 C40 H84 116.5 . . ? H80 C40 H84 11.7 . . ? H81 C40 H84 97.9 . . ? H82 C40 H84 113.3 . . ? H83 C40 H84 109.5 . . ? Si9 C40 H85 109.5 . . ? Si7 C40 H85 117.2 . . ? H80 C40 H85 120.9 . . ? H81 C40 H85 22.1 . . ? H82 C40 H85 87.5 . . ? H83 C40 H85 109.5 . . ? H84 C40 H85 109.5 . . ? Si7 C41 H86 109.5 . . ? Si7 C41 H87 109.5 . . ? H86 C41 H87 109.5 . . ? Si7 C41 H88 109.5 . . ? H86 C41 H88 109.5 . . ? H87 C41 H88 109.5 . . ? Si7 C42 H89 109.5 . . ? Si7 C42 H90 109.5 . . ? H89 C42 H90 109.5 . . ? Si7 C42 H91 109.5 . . ? H89 C42 H91 109.5 . . ? H90 C42 H91 109.5 . . ? C21 Si8 C43 102.4(18) . . ? C21 Si8 C44 106(2) . . ? C43 Si8 C44 113(2) . . ? C21 Si8 C37 116.9(15) . . ? C43 Si8 C37 110(2) . . ? C44 Si8 C37 108.2(15) . . ? C40 Si9 C46 107.8(8) . . ? C40 Si9 C45 109.9(11) . . ? C46 Si9 C45 107.6(13) . . ? C40 Si9 C21 110.4(9) . . ? C46 Si9 C21 114.7(9) . . ? C45 Si9 C21 106.4(8) . . ? Si8 C43 H92 109.5 . . ? Si8 C43 H93 109.5 . . ? H92 C43 H93 109.5 . . ? Si8 C43 H94 109.5 . . ? H92 C43 H94 109.5 . . ? H93 C43 H94 109.5 . . ? Si8 C44 H95 109.5 . . ? Si8 C44 H96 109.5 . . ? H95 C44 H96 109.5 . . ? Si8 C44 H97 109.5 . . ? H95 C44 H97 109.5 . . ? H96 C44 H97 109.5 . . ? Si9 C45 H98 109.5 . . ? Si9 C45 H99 109.5 . . ? H98 C45 H99 109.5 . . ? Si9 C45 H100 109.5 . . ? H98 C45 H100 109.5 . . ? H99 C45 H100 109.5 . . ? Si9 C46 H101 109.5 . . ? Si9 C46 H102 109.5 . . ? H101 C46 H102 109.5 . . ? Si9 C46 H103 109.5 . . ? H101 C46 H103 109.5 . . ? H102 C46 H103 109.5 . . ? 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 C8 C1 Ge1 C2 -0.7(7) . . . . ? C8 C1 Ge1 C14 -174.5(6) . . . . ? C1 Ge1 C2 C3 -0.5(7) . . . . ? C14 Ge1 C2 C3 172.2(5) . . . . ? C1 Ge1 C2 C10 -178.5(6) . . . . ? C14 Ge1 C2 C10 -5.8(9) . . . . ? C10 C2 C3 C9 179.0(8) . . . . ? Ge1 C2 C3 C9 0.8(11) . . . . ? C9 C4 C5 C6 -0.4(14) . . . . ? C4 C5 C6 C7 -0.3(14) . . . . ? C5 C6 C7 C8 0.6(14) . . . . ? Ge1 C1 C8 C7 179.7(6) . . . . ? Ge1 C1 C8 C9 1.7(11) . . . . ? C6 C7 C8 C1 -178.3(8) . . . . ? C6 C7 C8 C9 -0.2(12) . . . . ? C2 C3 C9 C4 -179.0(8) . . . . ? C2 C3 C9 C8 0.2(13) . . . . ? C5 C4 C9 C3 -179.9(8) . . . . ? C5 C4 C9 C8 0.8(12) . . . . ? C1 C8 C9 C3 -1.7(12) . . . . ? C7 C8 C9 C3 -179.7(7) . . . . ? C1 C8 C9 C4 177.6(7) . . . . ? C7 C8 C9 C4 -0.5(11) . . . . ? C3 C2 C10 C11 175.9(7) . . . . ? Ge1 C2 C10 C11 -6.2(9) . . . . ? C3 C2 C10 C12 -62.4(9) . . . . ? Ge1 C2 C10 C12 115.4(7) . . . . ? C3 C2 C10 C13 55.6(9) . . . . ? Ge1 C2 C10 C13 -126.5(7) . . . . ? C1 Ge1 C14 C15 -105.0(7) . . . . ? C2 Ge1 C14 C15 83.0(8) . . . . ? C1 Ge1 C14 C19 71.2(7) . . . . ? C2 Ge1 C14 C19 -100.9(7) . . . . ? C19 C14 C15 C16 1.4(12) . . . . ? Ge1 C14 C15 C16 177.5(6) . . . . ? C19 C14 C15 C20 -177.9(7) . . . . ? Ge1 C14 C15 C20 -1.8(11) . . . . ? C14 C15 C16 C17 1.1(12) . . . . ? C20 C15 C16 C17 -179.6(8) . . . . ? C15 C16 C17 C18 -2.2(13) . . . . ? C15 C16 C17 C21 176.1(8) . . . . ? C16 C17 C18 C19 0.8(13) . . . . ? C21 C17 C18 C19 -177.5(8) . . . . ? C17 C18 C19 C14 1.6(13) . . . . ? C17 C18 C19 C22 -176.0(8) . . . . ? C15 C14 C19 C18 -2.7(12) . . . . ? Ge1 C14 C19 C18 -178.8(6) . . . . ? C15 C14 C19 C22 174.9(8) . . . . ? Ge1 C14 C19 C22 -1.3(11) . . . . ? C16 C15 C20 Si1 -80.0(8) . . . . ? C14 C15 C20 Si1 99.3(8) . . . . ? C16 C15 C20 Si2 54.0(9) . . . . ? C14 C15 C20 Si2 -126.8(7) . . . . ? C18 C17 C21 Si8 -71.7(14) . . . . ? C16 C17 C21 Si8 110.0(12) . . . . ? C18 C17 C21 Si7 63.4(12) . . . . ? C16 C17 C21 Si7 -114.8(10) . . . . ? C18 C17 C21 Si6 -76.6(14) . . . . ? C16 C17 C21 Si6 105.2(12) . . . . ? C18 C17 C21 Si9 62.9(10) . . . . ? C16 C17 C21 Si9 -115.3(9) . . . . ? C18 C19 C22 Si4 -62.8(10) . . . . ? C14 C19 C22 Si4 119.7(8) . . . . ? C18 C19 C22 Si3 73.4(9) . . . . ? C14 C19 C22 Si3 -104.1(8) . . . . ? C18 C19 C22 Si5 -67.5(10) . . . . ? C14 C19 C22 Si5 115.0(9) . . . . ? C15 C20 Si1 C23 71.4(7) . . . . ? Si2 C20 Si1 C23 -62.3(5) . . . . ? C15 C20 Si1 C25 -166.7(6) . . . . ? Si2 C20 Si1 C25 59.7(5) . . . . ? C15 C20 Si1 C24 -48.8(7) . . . . ? Si2 C20 Si1 C24 177.5(5) . . . . ? C15 C20 Si2 C26 18.1(8) . . . . ? Si1 C20 Si2 C26 150.3(4) . . . . ? C15 C20 Si2 C27 -103.1(7) . . . . ? Si1 C20 Si2 C27 29.0(6) . . . . ? C15 C20 Si2 C28 137.2(6) . . . . ? Si1 C20 Si2 C28 -90.7(5) . . . . ? C19 C22 Si3 C29 17.8(7) . . . . ? Si4 C22 Si3 C29 157.9(6) . . . . ? Si5 C22 Si3 C29 148.7(8) . . . . ? C19 C22 Si3 C30 136.3(7) . . . . ? Si4 C22 Si3 C30 -83.5(7) . . . . ? Si5 C22 Si3 C30 -92.7(9) . . . . ? C19 C22 Si3 C31 -101.4(7) . . . . ? Si4 C22 Si3 C31 38.7(7) . . . . ? Si5 C22 Si3 C31 29.5(9) . . . . ? C19 C22 Si4 C34 -61.3(10) . . . . ? Si3 C22 Si4 C34 163.4(8) . . . . ? Si5 C22 Si4 C34 -45(3) . . . . ? C19 C22 Si4 C32 61.3(10) . . . . ? Si3 C22 Si4 C32 -73.9(9) . . . . ? Si5 C22 Si4 C32 78(3) . . . . ? C19 C22 Si4 C33 -178.8(8) . . . . ? Si3 C22 Si4 C33 46.0(9) . . . . ? Si5 C22 Si4 C33 -162(3) . . . . ? C19 C22 Si5 C32 88.7(10) . . . . ? Si4 C22 Si5 C32 -76(3) . . . . ? Si3 C22 Si5 C32 -43.8(12) . . . . ? C19 C22 Si5 C36 -31.8(18) . . . . ? Si4 C22 Si5 C36 163(4) . . . . ? Si3 C22 Si5 C36 -164.3(16) . . . . ? C19 C22 Si5 C35 -151.1(18) . . . . ? Si4 C22 Si5 C35 44(3) . . . . ? Si3 C22 Si5 C35 76(2) . . . . ? C36 Si5 C32 Si4 180(3) . . . . ? C35 Si5 C32 Si4 -59(3) . . . . ? C22 Si5 C32 Si4 55(2) . . . . ? C22 Si4 C32 Si5 -100(3) . . . . ? C34 Si4 C32 Si5 23(2) . . . . ? C33 Si4 C32 Si5 136(3) . . . . ? C17 C21 Si6 C37 73.7(18) . . . . ? Si8 C21 Si6 C37 -68(12) . . . . ? Si7 C21 Si6 C37 -66.9(19) . . . . ? Si9 C21 Si6 C37 -54(2) . . . . ? C17 C21 Si6 C38 -45(2) . . . . ? Si8 C21 Si6 C38 173(14) . . . . ? Si7 C21 Si6 C38 174.1(17) . . . . ? Si9 C21 Si6 C38 -172.9(16) . . . . ? C17 C21 Si6 C39 -165.0(15) . . . . ? Si8 C21 Si6 C39 53(12) . . . . ? Si7 C21 Si6 C39 54(2) . . . . ? Si9 C21 Si6 C39 67(2) . . . . ? C17 C21 Si7 C42 46.9(13) . . . . ? Si8 C21 Si7 C42 -176.2(13) . . . . ? Si6 C21 Si7 C42 -176.4(14) . . . . ? Si9 C21 Si7 C42 49(3) . . . . ? C17 C21 Si7 C41 164.7(10) . . . . ? Si8 C21 Si7 C41 -58.4(15) . . . . ? Si6 C21 Si7 C41 -58.6(16) . . . . ? Si9 C21 Si7 C41 167(4) . . . . ? C17 C21 Si7 C40 -76.6(10) . . . . ? Si8 C21 Si7 C40 60.3(11) . . . . ? Si6 C21 Si7 C40 60.1(13) . . . . ? Si9 C21 Si7 C40 -75(3) . . . . ? C38 Si6 C37 Si8 167(11) . . . . ? C39 Si6 C37 Si8 -79(10) . . . . ? C21 Si6 C37 Si8 44(10) . . . . ? C21 Si7 C40 Si9 102(3) . . . . ? C42 Si7 C40 Si9 -17(3) . . . . ? C41 Si7 C40 Si9 -134(4) . . . . ? C17 C21 Si8 C43 -58.8(18) . . . . ? Si7 C21 Si8 C43 162.4(16) . . . . ? Si6 C21 Si8 C43 -19(12) . . . . ? Si9 C21 Si8 C43 174.3(15) . . . . ? C17 C21 Si8 C44 -177.5(11) . . . . ? Si7 C21 Si8 C44 43.7(16) . . . . ? Si6 C21 Si8 C44 -137(13) . . . . ? Si9 C21 Si8 C44 55.6(16) . . . . ? C17 C21 Si8 C37 62(2) . . . . ? Si7 C21 Si8 C37 -77(2) . . . . ? Si6 C21 Si8 C37 101(13) . . . . ? Si9 C21 Si8 C37 -65(2) . . . . ? Si6 C37 Si8 C21 -126(11) . . . . ? Si6 C37 Si8 C43 -9(9) . . . . ? Si6 C37 Si8 C44 114(11) . . . . ? Si7 C40 Si9 C46 179(4) . . . . ? Si7 C40 Si9 C45 62(3) . . . . ? Si7 C40 Si9 C21 -55(3) . . . . ? C17 C21 Si9 C40 -99.0(7) . . . . ? Si8 C21 Si9 C40 32.5(12) . . . . ? Si7 C21 Si9 C40 83(4) . . . . ? Si6 C21 Si9 C40 30.5(15) . . . . ? C17 C21 Si9 C46 23.0(11) . . . . ? Si8 C21 Si9 C46 154.6(12) . . . . ? Si7 C21 Si9 C46 -155(4) . . . . ? Si6 C21 Si9 C46 152.5(14) . . . . ? C17 C21 Si9 C45 141.8(11) . . . . ? Si8 C21 Si9 C45 -86.7(15) . . . . ? Si7 C21 Si9 C45 -36(3) . . . . ? Si6 C21 Si9 C45 -88.7(17) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.611 _refine_diff_density_min -0.428 _refine_diff_density_rms 0.104