#------------------------------------------------------------------------------ #$Date: 2016-03-26 14:43:29 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180274 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/11/60/7116056.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7116056 loop_ _publ_author_name 'P. Steiniger' 'G. Bendt' 'D. Blaser' 'C. Wolper' 'S. Schulz' _publ_section_title ; Germane vs. digermane formation ; _journal_name_full Chem.Commun. _journal_page_first 15461 _journal_paper_doi 10.1039/C4cc07921C _journal_volume 50 _journal_year 2014 _chemical_formula_moiety 'C14 H34 Ge N2 S2 Si' _chemical_formula_sum 'C14 H34 Ge N2 S2 Si' _chemical_formula_weight 395.23 _chemical_name_systematic ; ? ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2013 _cell_angle_alpha 90 _cell_angle_beta 105.1850(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.7422(4) _cell_length_b 12.1799(4) _cell_length_c 14.9598(5) _cell_measurement_reflns_used 40476 _cell_measurement_temperature 100(1) _cell_measurement_theta_max 32.13 _cell_measurement_theta_min 2.56 _cell_volume 2064.83(12) _computing_cell_refinement 'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009' _computing_data_collection 'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009' _computing_data_reduction 'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009' _computing_molecular_graphics 'BRUKER AXS Inc. 2008 Vers. 2008/4' _computing_publication_material 'BRUKER AXS Inc. 2013 Vers. 2013/4' _computing_structure_refinement 'BRUKER AXS Inc. 2013 Vers. 2013/4' _computing_structure_solution 'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009' _diffrn_ambient_temperature 100(1) _diffrn_detector_area_resol_mean 512 _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.986 _diffrn_measurement_device_type ; Bruker D8 KAPPA series II with APEX II area detector system ; _diffrn_measurement_method ; Data collection strategy APEX 2/COSMO ; _diffrn_radiation_monochromator 'Triumph Goebel mirror' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0225 _diffrn_reflns_av_unetI/netI 0.0127 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.986 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 70543 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.986 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 32.135 _diffrn_reflns_theta_min 2.188 _diffrn_source 'sealed X-RAY tube' _exptl_absorpt_coefficient_mu 1.739 _exptl_absorpt_correction_T_max 0.75 _exptl_absorpt_correction_T_min 0.59 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; BRUKER AXS SMART APEX 2 Vers. 3.0-2009 R.H. Blessing, Acta Cryst. (1995) A51 33-38 ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.271 _exptl_crystal_description block _exptl_crystal_F_000 840 _exptl_crystal_size_max 0.230 _exptl_crystal_size_mid 0.180 _exptl_crystal_size_min 0.150 _refine_diff_density_max 0.426 _refine_diff_density_min -0.248 _refine_diff_density_rms 0.050 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.077 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 191 _refine_ls_number_reflns 7162 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.077 _refine_ls_R_factor_all 0.0216 _refine_ls_R_factor_gt 0.0175 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0244P)^2^+0.4644P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0461 _refine_ls_wR_factor_ref 0.0486 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6538 _reflns_number_total 7162 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c4cc07921c2.cif _cod_data_source_block pst_048m _cod_database_code 7116056 #BEGIN Tags that were not found in dictionaries: _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.691 _shelx_estimated_absorpt_t_max 0.780 _shelxl_version_number 2013-4 _shelx_res_file ; TITL pst_048m in P2(1)/n CELL 0.71073 11.7422 12.1799 14.9598 90.000 105.185 90.000 ZERR 4.00 0.0004 0.0004 0.0005 0.000 0.001 0.000 LATT 1 SYMM 0.5-X, 0.5+Y, 0.5-Z SFAC C H N SI S GE UNIT 56 136 8 4 8 4 TEMP -173 SIZE .23 .18 .15 L.S. 14 FMAP 2 PLAN 10 ACTA WGHT 0.024400 0.464400 FVAR 0.12422 GE1 6 0.709811 0.758624 0.013668 11.00000 0.00986 0.01416 = 0.00964 -0.00054 0.00177 0.00087 SI1 4 0.921611 0.769307 0.127870 11.00000 0.01015 0.01564 = 0.01089 0.00036 0.00183 0.00010 S1 5 0.586813 0.892518 -0.046321 11.00000 0.01179 0.01679 = 0.01753 0.00050 0.00053 0.00224 S2 5 0.606226 0.613228 -0.047551 11.00000 0.01644 0.01766 = 0.01589 -0.00205 -0.00202 -0.00156 N1 3 0.863841 0.770749 0.007703 11.00000 0.01074 0.01985 = 0.01093 0.00033 0.00329 0.00140 N2 3 0.778564 0.756387 0.139285 11.00000 0.01098 0.01756 = 0.00970 -0.00072 0.00241 0.00012 C1 1 0.917239 0.758425 -0.070115 11.00000 0.01423 0.01886 = 0.01282 0.00071 0.00593 0.00257 C2 1 1.034422 0.821282 -0.046135 11.00000 0.01789 0.03010 = 0.02050 -0.00051 0.00993 -0.00256 AFIX 137 H2A 2 1.019925 0.898417 -0.034055 11.00000 -1.50000 H2B 2 1.070452 0.816674 -0.098161 11.00000 -1.50000 H2C 2 1.087810 0.788943 0.009143 11.00000 -1.50000 AFIX 0 C3 1 0.940509 0.637504 -0.087163 11.00000 0.03176 0.02106 = 0.02568 -0.00314 0.01504 0.00347 AFIX 137 H3A 2 0.992610 0.605898 -0.030937 11.00000 -1.50000 H3B 2 0.978218 0.631907 -0.138186 11.00000 -1.50000 H3C 2 0.865588 0.597329 -0.103275 11.00000 -1.50000 AFIX 0 C4 1 0.835327 0.806648 -0.158093 11.00000 0.02216 0.03793 = 0.01315 0.00424 0.00574 0.00784 AFIX 137 H4A 2 0.759814 0.767449 -0.172720 11.00000 -1.50000 H4B 2 0.871834 0.798780 -0.209627 11.00000 -1.50000 H4C 2 0.821847 0.884613 -0.148306 11.00000 -1.50000 AFIX 0 C5 1 0.724662 0.773104 0.216264 11.00000 0.01386 0.01951 = 0.01110 -0.00073 0.00418 -0.00029 C6 1 0.608048 0.709735 0.196204 11.00000 0.01585 0.02732 = 0.01921 -0.00096 0.00782 -0.00380 AFIX 137 H6A 2 0.555583 0.735656 0.137809 11.00000 -1.50000 H6B 2 0.570463 0.721813 0.246649 11.00000 -1.50000 H6C 2 0.623478 0.631187 0.191317 11.00000 -1.50000 AFIX 0 C7 1 0.700940 0.895426 0.228040 11.00000 0.02348 0.02179 = 0.02041 -0.00564 0.00799 0.00156 AFIX 137 H7A 2 0.775584 0.935982 0.241414 11.00000 -1.50000 H7B 2 0.664362 0.904815 0.279386 11.00000 -1.50000 H7C 2 0.647722 0.923611 0.170842 11.00000 -1.50000 AFIX 0 C8 1 0.808644 0.728817 0.305412 11.00000 0.02078 0.03145 = 0.01187 0.00267 0.00332 0.00094 AFIX 137 H8A 2 0.824446 0.650928 0.297405 11.00000 -1.50000 H8B 2 0.772222 0.737261 0.356940 11.00000 -1.50000 H8C 2 0.882917 0.769968 0.318844 11.00000 -1.50000 AFIX 0 C9 1 1.020459 0.651038 0.173695 11.00000 0.01675 0.02567 = 0.01811 0.00268 0.00172 0.00630 AFIX 137 H9A 2 1.036555 0.648904 0.241345 11.00000 -1.50000 H9B 2 1.094825 0.659489 0.156262 11.00000 -1.50000 H9C 2 0.981961 0.582551 0.147567 11.00000 -1.50000 AFIX 0 C10 1 0.999522 0.897581 0.177421 11.00000 0.02171 0.02330 = 0.01770 -0.00152 0.00373 -0.00758 AFIX 137 H10A 2 0.949365 0.961114 0.153990 11.00000 -1.50000 H10B 2 1.073585 0.903813 0.159211 11.00000 -1.50000 H10C 2 1.016593 0.895277 0.245124 11.00000 -1.50000 AFIX 0 C11 1 0.686288 1.011286 -0.026227 11.00000 0.01829 0.01695 = 0.02675 -0.00268 0.00142 -0.00069 AFIX 3 H11A 2 0.674826 1.054630 0.026722 11.00000 -1.20000 H11B 2 0.769252 0.985907 -0.010857 11.00000 -1.20000 AFIX 0 C12 1 0.661012 1.082512 -0.112387 11.00000 0.02267 0.02134 = 0.04348 0.01053 0.00222 0.00085 AFIX 137 H12A 2 0.678039 1.040995 -0.163499 11.00000 -1.50000 H12B 2 0.710888 1.148195 -0.100116 11.00000 -1.50000 H12C 2 0.577781 1.104354 -0.129203 11.00000 -1.50000 AFIX 0 C13 1 0.698429 0.503754 0.018031 11.00000 0.02718 0.01731 = 0.02297 0.00120 -0.00114 0.00089 AFIX 3 H13A 2 0.780890 0.529828 0.040167 11.00000 -1.20000 H13B 2 0.670028 0.484600 0.072800 11.00000 -1.20000 AFIX 0 C14 1 0.694365 0.403516 -0.041716 11.00000 0.02915 0.02137 = 0.04255 -0.00726 0.00808 0.00207 AFIX 137 H14A 2 0.612693 0.377820 -0.063618 11.00000 -1.50000 H14B 2 0.743137 0.345427 -0.005426 11.00000 -1.50000 H14C 2 0.724622 0.422092 -0.094970 11.00000 -1.50000 AFIX 0 HKLF 4 REM pst_048m in P2(1)/n REM R1 = 0.0175 for 6538 Fo > 4sig(Fo) and 0.0216 for all 7162 data REM 191 parameters refined using 0 restraints END WGHT 0.0247 0.4639 REM Highest difference peak 0.426, deepest hole -0.248, 1-sigma level 0.050 Q1 1 0.7697 0.7556 0.2598 11.00000 0.05 0.43 Q2 1 0.8769 0.7825 -0.1119 11.00000 0.05 0.42 Q3 1 0.9297 0.6968 -0.0765 11.00000 0.05 0.39 Q4 1 0.6651 0.7428 0.2027 11.00000 0.05 0.38 Q5 1 0.7150 0.8360 0.2217 11.00000 0.05 0.38 Q6 1 0.6798 0.8057 -0.0140 11.00000 0.05 0.36 Q7 1 0.6829 0.7035 -0.0102 11.00000 0.05 0.35 Q8 1 0.9604 0.8370 0.1554 11.00000 0.05 0.35 Q9 1 0.8444 0.7636 0.1341 11.00000 0.05 0.34 Q10 1 0.9758 0.7902 -0.0509 11.00000 0.05 0.33 ; _shelx_res_checksum 86271 #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_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' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp Ge1 Ge 0.70981(2) 0.75862(2) 0.01367(2) 0.01137(3) Uani 1 1 d . . Si1 Si 0.92161(2) 0.76931(2) 0.12787(2) 0.01240(4) Uani 1 1 d . . S1 S 0.58681(2) 0.89252(2) -0.04632(2) 0.01599(4) Uani 1 1 d . . S2 S 0.60623(2) 0.61323(2) -0.04755(2) 0.01784(4) Uani 1 1 d . . N1 N 0.86384(6) 0.77075(6) 0.00770(5) 0.01376(12) Uani 1 1 d . . N2 N 0.77856(6) 0.75639(5) 0.13928(5) 0.01280(12) Uani 1 1 d . . C1 C 0.91724(7) 0.75842(6) -0.07011(6) 0.01485(14) Uani 1 1 d . . C2 C 1.03442(8) 0.82128(8) -0.04613(6) 0.02191(17) Uani 1 1 d . . H2A H 1.0199 0.8984 -0.0341 0.033 Uiso 1 1 calc R U H2B H 1.0705 0.8167 -0.0982 0.033 Uiso 1 1 calc R U H2C H 1.0878 0.7889 0.0091 0.033 Uiso 1 1 calc R U C3 C 0.94051(9) 0.63750(8) -0.08716(7) 0.02476(18) Uani 1 1 d . . H3A H 0.9926 0.6059 -0.0309 0.037 Uiso 1 1 calc R U H3B H 0.9782 0.6319 -0.1382 0.037 Uiso 1 1 calc R U H3C H 0.8656 0.5973 -0.1033 0.037 Uiso 1 1 calc R U C4 C 0.83533(8) 0.80665(9) -0.15809(6) 0.02420(18) Uani 1 1 d . . H4A H 0.7598 0.7674 -0.1727 0.036 Uiso 1 1 calc R U H4B H 0.8718 0.7988 -0.2096 0.036 Uiso 1 1 calc R U H4C H 0.8218 0.8846 -0.1483 0.036 Uiso 1 1 calc R U C5 C 0.72466(7) 0.77310(7) 0.21626(6) 0.01465(14) Uani 1 1 d . . C6 C 0.60805(7) 0.70974(8) 0.19620(6) 0.02019(16) Uani 1 1 d . . H6A H 0.5556 0.7357 0.1378 0.030 Uiso 1 1 calc R U H6B H 0.5705 0.7218 0.2466 0.030 Uiso 1 1 calc R U H6C H 0.6235 0.6312 0.1913 0.030 Uiso 1 1 calc R U C7 C 0.70094(8) 0.89543(7) 0.22804(6) 0.02147(16) Uani 1 1 d . . H7A H 0.7756 0.9360 0.2414 0.032 Uiso 1 1 calc R U H7B H 0.6644 0.9048 0.2794 0.032 Uiso 1 1 calc R U H7C H 0.6477 0.9236 0.1708 0.032 Uiso 1 1 calc R U C8 C 0.80864(8) 0.72882(8) 0.30541(6) 0.02155(17) Uani 1 1 d . . H8A H 0.8244 0.6509 0.2974 0.032 Uiso 1 1 calc R U H8B H 0.7722 0.7373 0.3569 0.032 Uiso 1 1 calc R U H8C H 0.8829 0.7700 0.3188 0.032 Uiso 1 1 calc R U C9 C 1.02046(8) 0.65104(8) 0.17370(6) 0.02071(16) Uani 1 1 d . . H9A H 1.0366 0.6489 0.2413 0.031 Uiso 1 1 calc R U H9B H 1.0948 0.6595 0.1563 0.031 Uiso 1 1 calc R U H9C H 0.9820 0.5826 0.1476 0.031 Uiso 1 1 calc R U C10 C 0.99952(8) 0.89758(7) 0.17742(6) 0.02117(16) Uani 1 1 d . . H10A H 0.9494 0.9611 0.1540 0.032 Uiso 1 1 calc R U H10B H 1.0736 0.9038 0.1592 0.032 Uiso 1 1 calc R U H10C H 1.0166 0.8953 0.2451 0.032 Uiso 1 1 calc R U C11 C 0.68629(8) 1.01129(7) -0.02623(7) 0.02150(17) Uani 1 1 d . . H11A H 0.6748 1.0546 0.0267 0.026 Uiso 1 1 d R U H11B H 0.7693 0.9859 -0.0109 0.026 Uiso 1 1 d R U C12 C 0.66101(9) 1.08251(8) -0.11239(8) 0.0304(2) Uani 1 1 d . . H12A H 0.6780 1.0410 -0.1635 0.046 Uiso 1 1 calc R U H12B H 0.7109 1.1482 -0.1001 0.046 Uiso 1 1 calc R U H12C H 0.5778 1.1044 -0.1292 0.046 Uiso 1 1 calc R U C13 C 0.69843(8) 0.50375(7) 0.01803(7) 0.02393(18) Uani 1 1 d . . H13A H 0.7809 0.5298 0.0402 0.029 Uiso 1 1 d R U H13B H 0.6700 0.4846 0.0728 0.029 Uiso 1 1 d R U C14 C 0.69437(9) 0.40352(8) -0.04172(8) 0.0313(2) Uani 1 1 d . . H14A H 0.6127 0.3778 -0.0636 0.047 Uiso 1 1 calc R U H14B H 0.7431 0.3454 -0.0054 0.047 Uiso 1 1 calc R U H14C H 0.7246 0.4221 -0.0950 0.047 Uiso 1 1 calc R U 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 Ge1 0.00986(4) 0.01416(4) 0.00964(4) -0.00054(3) 0.00177(3) 0.00087(2) Si1 0.01015(9) 0.01564(9) 0.01089(9) 0.00036(7) 0.00183(7) 0.00010(7) S1 0.01179(8) 0.01679(8) 0.01753(9) 0.00050(6) 0.00053(7) 0.00224(6) S2 0.01644(8) 0.01766(9) 0.01589(9) -0.00205(7) -0.00202(7) -0.00156(6) N1 0.0107(3) 0.0198(3) 0.0109(3) 0.0003(2) 0.0033(2) 0.0014(2) N2 0.0110(3) 0.0176(3) 0.0097(3) -0.0007(2) 0.0024(2) 0.0001(2) C1 0.0142(3) 0.0189(3) 0.0128(3) 0.0007(3) 0.0059(3) 0.0026(2) C2 0.0179(4) 0.0301(4) 0.0205(4) -0.0005(3) 0.0099(3) -0.0026(3) C3 0.0318(5) 0.0211(4) 0.0257(4) -0.0031(3) 0.0150(4) 0.0035(3) C4 0.0222(4) 0.0379(5) 0.0131(4) 0.0042(3) 0.0057(3) 0.0078(4) C5 0.0139(3) 0.0195(3) 0.0111(3) -0.0007(3) 0.0042(3) -0.0003(3) C6 0.0159(3) 0.0273(4) 0.0192(4) -0.0010(3) 0.0078(3) -0.0038(3) C7 0.0235(4) 0.0218(4) 0.0204(4) -0.0056(3) 0.0080(3) 0.0016(3) C8 0.0208(4) 0.0314(4) 0.0119(3) 0.0027(3) 0.0033(3) 0.0009(3) C9 0.0168(3) 0.0257(4) 0.0181(4) 0.0027(3) 0.0017(3) 0.0063(3) C10 0.0217(4) 0.0233(4) 0.0177(4) -0.0015(3) 0.0037(3) -0.0076(3) C11 0.0183(3) 0.0169(3) 0.0267(4) -0.0027(3) 0.0014(3) -0.0007(3) C12 0.0227(4) 0.0213(4) 0.0435(6) 0.0105(4) 0.0022(4) 0.0009(3) C13 0.0272(4) 0.0173(4) 0.0230(4) 0.0012(3) -0.0011(3) 0.0009(3) C14 0.0292(5) 0.0214(4) 0.0426(6) -0.0073(4) 0.0081(4) 0.0021(3) 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' Si Si 0.0817 0.0704 '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' Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle N1 Ge1 N2 82.93(3) N1 Ge1 S2 119.09(2) N2 Ge1 S2 117.28(2) N1 Ge1 S1 117.89(2) N2 Ge1 S1 119.42(2) S2 Ge1 S1 101.148(9) S2 Ge1 Si1 129.410(8) S1 Ge1 Si1 129.441(8) N2 Si1 N1 88.70(3) N2 Si1 C10 115.02(4) N1 Si1 C10 114.75(4) N2 Si1 C9 114.72(4) N1 Si1 C9 115.00(4) C10 Si1 C9 107.94(4) C10 Si1 Ge1 125.66(3) C9 Si1 Ge1 126.39(3) C11 S1 Ge1 101.26(3) C13 S2 Ge1 100.23(3) C1 N1 Si1 133.14(6) C1 N1 Ge1 131.30(5) Si1 N1 Ge1 94.07(4) C5 N2 Si1 133.72(5) C5 N2 Ge1 129.46(5) Si1 N2 Ge1 94.30(4) N1 C1 C4 109.90(7) N1 C1 C3 111.25(7) C4 C1 C3 108.99(8) N1 C1 C2 107.89(7) C4 C1 C2 109.46(7) C3 C1 C2 109.33(7) N2 C5 C6 108.89(7) N2 C5 C8 108.82(7) C6 C5 C8 109.35(7) N2 C5 C7 110.71(7) C6 C5 C7 109.39(7) C8 C5 C7 109.65(7) C12 C11 S1 109.71(6) C14 C13 S2 110.47(7) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Ge1 N1 1.8400(7) Ge1 N2 1.8410(7) Ge1 S2 2.2070(2) Ge1 S1 2.2072(2) Ge1 Si1 2.6258(2) Si1 N2 1.7394(8) Si1 N1 1.7474(7) Si1 C10 1.8634(9) Si1 C9 1.8642(8) S1 C11 1.8340(9) S2 C13 1.8320(9) N1 C1 1.4674(11) N2 C5 1.4663(11) C1 C4 1.5294(12) C1 C3 1.5315(12) C1 C2 1.5328(12) C5 C6 1.5315(12) C5 C8 1.5340(12) C5 C7 1.5343(12) C11 C12 1.5171(14) C13 C14 1.5064(14)