#------------------------------------------------------------------------------ #$Date: 2012-02-24 19:13:23 +0200 (Fri, 24 Feb 2012) $ #$Revision: 34330 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/06/46/4064696.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_4064696 loop_ _publ_author_name 'Tanabe, Makoto' 'Deguchi, Takashi' 'Osakada, Kohtaro' _publ_section_title ; Chemical Properties of Tetragermaplatinacyclopentane. Insertion of an Alkyne into a Pt--Ge Bond and Silylation Caused by H2SiPh2 ; _journal_issue 12 _journal_name_full Organometallics _journal_page_first 3386 _journal_volume 30 _journal_year 2011 _chemical_formula_moiety 'C22 H54 Ge2 P2 Pt' _chemical_formula_sum 'C22 H54 Ge2 P2 Pt' _chemical_formula_weight 720.89 _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 90.0000 _cell_angle_beta 93.8720(17) _cell_angle_gamma 90.0000 _cell_formula_units_Z 4 _cell_length_a 9.0246(13) _cell_length_b 17.619(3) _cell_length_c 19.008(3) _cell_measurement_reflns_used 10250 _cell_measurement_temperature 113 _cell_measurement_theta_max 27.48 _cell_measurement_theta_min 3.22 _cell_volume 3015.5(8) _computing_cell_refinement CrystalClear _computing_data_collection 'CrystalClear (Rigaku/MSC Inc., 2006)' _computing_data_reduction CrystalClear _computing_molecular_graphics 'CrystalStructure 4.0' _computing_publication_material 'CrystalStructure 4.0 (Rigaku, 2010)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)' _computing_structure_solution 'Il Milione (Burla, et al., 2007)' _diffrn_ambient_temperature 113 _diffrn_detector_area_resol_mean 7.314 _diffrn_measured_fraction_theta_full 0.974 _diffrn_measured_fraction_theta_max 0.974 _diffrn_measurement_device_type 'Rigaku Saturn70' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71070 _diffrn_reflns_av_R_equivalents 0.0320 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_number 24236 _diffrn_reflns_theta_full 27.49 _diffrn_reflns_theta_max 27.48 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 6.701 _exptl_absorpt_correction_T_max 0.262 _exptl_absorpt_correction_T_min 0.149 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'REQAB (Rigaku, 1998)' _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.588 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 1432.00 _exptl_crystal_size_max 0.300 _exptl_crystal_size_mid 0.250 _exptl_crystal_size_min 0.200 _refine_diff_density_max 3.150 _refine_diff_density_min -1.110 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.999 _refine_ls_hydrogen_treatment mixed _refine_ls_number_parameters 260 _refine_ls_number_reflns 6741 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0339 _refine_ls_R_factor_gt 0.0293 _refine_ls_shift/su_max 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0497P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0755 _refine_ls_wR_factor_ref 0.0783 _reflns_number_gt 5739 _reflns_number_total 6741 _reflns_threshold_expression F^2^>2.0\s(F^2^) _[local]_cod_data_source_file om200275w_si_002.cif _[local]_cod_data_source_block complex4 _cod_database_code 4064696 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +X,+Y,+Z 2 -X,1/2+Y,1/2-Z 3 -X,-Y,-Z 4 +X,1/2-Y,1/2+Z 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 Pt1 Pt 0.369345(14) 0.083436(7) 0.249450(7) 0.02089(6) Uani 1.0 4 d . Ge1 Ge 0.24789(5) -0.03438(2) 0.20930(2) 0.02838(10) Uani 1.0 4 d . Ge2 Ge 0.60259(4) 0.01670(2) 0.23652(2) 0.02586(10) Uani 1.0 4 d . P1 P 0.49515(10) 0.18867(5) 0.28742(6) 0.0241(2) Uani 1.0 4 d . P2 P 0.15927(11) 0.15310(6) 0.25911(6) 0.0268(3) Uani 1.0 4 d . C1 C 0.1135(5) -0.0763(3) 0.2780(3) 0.0384(11) Uani 1.0 4 d . C2 C 0.1825(6) -0.0799(3) 0.3534(3) 0.0410(11) Uani 1.0 4 d . C3 C 0.0813(7) -0.1095(4) 0.4067(3) 0.0606(15) Uani 1.0 4 d . C4 C 0.1500(10) -0.1162(5) 0.4798(4) 0.090(3) Uani 1.0 4 d . C5 C 0.1302(5) -0.0356(3) 0.1178(3) 0.0362(10) Uani 1.0 4 d . C6 C 0.0636(5) -0.1118(3) 0.0978(3) 0.0366(10) Uani 1.0 4 d . C7 C -0.0287(5) -0.1146(3) 0.0290(3) 0.0411(11) Uani 1.0 4 d . C8 C -0.0978(7) -0.1908(4) 0.0117(3) 0.0664(17) Uani 1.0 4 d . C9 C 0.6379(5) -0.0694(3) 0.3010(3) 0.0331(10) Uani 1.0 4 d . C10 C 0.6345(6) -0.0498(3) 0.3781(3) 0.0424(11) Uani 1.0 4 d . C11 C 0.6457(6) -0.1195(3) 0.4265(3) 0.0507(13) Uani 1.0 4 d . C12 C 0.6491(9) -0.1014(4) 0.5030(4) 0.080(2) Uani 1.0 4 d . C13 C 0.6392(5) -0.0167(3) 0.1399(3) 0.0390(11) Uani 1.0 4 d . C14 C 0.6611(5) 0.0483(3) 0.0882(3) 0.0377(10) Uani 1.0 4 d . C15 C 0.5225(6) 0.0930(3) 0.0670(3) 0.0414(11) Uani 1.0 4 d . C16 C 0.5523(7) 0.1592(4) 0.0184(3) 0.0656(16) Uani 1.0 4 d . C17 C 0.5926(5) 0.2357(3) 0.2202(3) 0.0415(12) Uani 1.0 4 d . C18 C 0.6309(5) 0.1852(3) 0.3622(3) 0.0427(11) Uani 1.0 4 d . C19 C 0.0565(5) 0.1376(3) 0.3366(3) 0.0414(11) Uani 1.0 4 d . C20 C 0.0140(5) 0.1577(3) 0.1885(3) 0.0415(11) Uani 1.0 4 d . C21 C 0.3607(5) 0.2593(2) 0.3155(3) 0.0318(9) Uani 1.0 4 d . C22 C 0.2190(5) 0.2536(3) 0.2677(3) 0.0337(10) Uani 1.0 4 d . H1 H 0.375(7) -0.105(4) 0.218(4) 0.11(3) Uiso 1.0 4 d . H2 H 0.748(4) 0.0677(19) 0.255(2) 0.014(9) Uiso 1.0 4 d . H3 H 0.0228 -0.0445 0.2773 0.0461 Uiso 1.0 4 calc R H4 H 0.0830 -0.1281 0.2629 0.0461 Uiso 1.0 4 calc R H5 H 0.2717 -0.1127 0.3541 0.0492 Uiso 1.0 4 calc R H6 H 0.2157 -0.0283 0.3678 0.0492 Uiso 1.0 4 calc R H7 H -0.0058 -0.0754 0.4073 0.0727 Uiso 1.0 4 calc R H8 H 0.0446 -0.1602 0.3911 0.0727 Uiso 1.0 4 calc R H9 H 0.0766 -0.1360 0.5108 0.1077 Uiso 1.0 4 calc R H10 H 0.1839 -0.0661 0.4965 0.1077 Uiso 1.0 4 calc R H11 H 0.2349 -0.1509 0.4802 0.1077 Uiso 1.0 4 calc R H12 H 0.0490 0.0020 0.1194 0.0434 Uiso 1.0 4 calc R H13 H 0.1948 -0.0194 0.0805 0.0434 Uiso 1.0 4 calc R H14 H 0.1453 -0.1491 0.0957 0.0440 Uiso 1.0 4 calc R H15 H 0.0008 -0.1283 0.1357 0.0440 Uiso 1.0 4 calc R H16 H 0.0346 -0.1001 -0.0094 0.0494 Uiso 1.0 4 calc R H17 H -0.1089 -0.0763 0.0302 0.0494 Uiso 1.0 4 calc R H18 H -0.1701 -0.1857 -0.0289 0.0796 Uiso 1.0 4 calc R H19 H -0.1480 -0.2094 0.0524 0.0796 Uiso 1.0 4 calc R H20 H -0.0201 -0.2268 0.0003 0.0796 Uiso 1.0 4 calc R H21 H 0.5617 -0.1087 0.2893 0.0397 Uiso 1.0 4 calc R H22 H 0.7359 -0.0917 0.2928 0.0397 Uiso 1.0 4 calc R H23 H 0.5410 -0.0226 0.3856 0.0508 Uiso 1.0 4 calc R H24 H 0.7180 -0.0151 0.3914 0.0508 Uiso 1.0 4 calc R H25 H 0.5598 -0.1531 0.4144 0.0609 Uiso 1.0 4 calc R H26 H 0.7369 -0.1480 0.4173 0.0609 Uiso 1.0 4 calc R H27 H 0.6580 -0.1485 0.5304 0.0957 Uiso 1.0 4 calc R H28 H 0.5572 -0.0752 0.5132 0.0957 Uiso 1.0 4 calc R H29 H 0.7344 -0.0686 0.5158 0.0957 Uiso 1.0 4 calc R H30 H 0.7287 -0.0493 0.1421 0.0469 Uiso 1.0 4 calc R H31 H 0.5541 -0.0480 0.1215 0.0469 Uiso 1.0 4 calc R H32 H 0.7365 0.0836 0.1098 0.0453 Uiso 1.0 4 calc R H33 H 0.7011 0.0271 0.0451 0.0453 Uiso 1.0 4 calc R H34 H 0.4795 0.1128 0.1099 0.0496 Uiso 1.0 4 calc R H35 H 0.4485 0.0588 0.0428 0.0496 Uiso 1.0 4 calc R H36 H 0.4583 0.1843 0.0037 0.0787 Uiso 1.0 4 calc R H37 H 0.5989 0.1403 -0.0233 0.0787 Uiso 1.0 4 calc R H38 H 0.6188 0.1956 0.0435 0.0787 Uiso 1.0 4 calc R H39 H 0.5232 0.2467 0.1795 0.0498 Uiso 1.0 4 calc R H40 H 0.6723 0.2027 0.2054 0.0498 Uiso 1.0 4 calc R H41 H 0.6353 0.2833 0.2390 0.0498 Uiso 1.0 4 calc R H42 H 0.6718 0.2361 0.3712 0.0512 Uiso 1.0 4 calc R H43 H 0.7112 0.1504 0.3519 0.0512 Uiso 1.0 4 calc R H44 H 0.5830 0.1674 0.4039 0.0512 Uiso 1.0 4 calc R H45 H 0.0046 0.0888 0.3324 0.0496 Uiso 1.0 4 calc R H46 H -0.0160 0.1785 0.3406 0.0496 Uiso 1.0 4 calc R H47 H 0.1254 0.1372 0.3787 0.0496 Uiso 1.0 4 calc R H48 H -0.0446 0.1108 0.1880 0.0498 Uiso 1.0 4 calc R H49 H 0.0588 0.1635 0.1433 0.0498 Uiso 1.0 4 calc R H50 H -0.0507 0.2011 0.1962 0.0498 Uiso 1.0 4 calc R H51 H 0.3385 0.2497 0.3650 0.0382 Uiso 1.0 4 calc R H52 H 0.4031 0.3109 0.3125 0.0382 Uiso 1.0 4 calc R H53 H 0.2366 0.2743 0.2206 0.0405 Uiso 1.0 4 calc R H54 H 0.1397 0.2839 0.2878 0.0405 Uiso 1.0 4 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_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pt1 0.02037(8) 0.01781(9) 0.02464(9) -0.00255(5) 0.00254(6) -0.00004(5) Ge1 0.0307(3) 0.0246(3) 0.0293(3) -0.00795(16) -0.00238(17) 0.00280(16) Ge2 0.0245(2) 0.0218(3) 0.0317(3) 0.00141(16) 0.00455(16) -0.00075(16) P1 0.0197(5) 0.0205(5) 0.0323(6) -0.0019(4) 0.0028(4) -0.0046(4) P2 0.0192(5) 0.0303(6) 0.0312(6) -0.0007(4) 0.0033(4) 0.0007(4) C1 0.039(3) 0.043(3) 0.034(3) -0.021(2) 0.0028(19) 0.0024(19) C2 0.046(3) 0.043(3) 0.033(3) -0.016(2) -0.001(2) 0.0024(19) C3 0.071(4) 0.074(4) 0.037(3) -0.026(4) 0.008(3) 0.007(3) C4 0.128(7) 0.103(6) 0.037(4) -0.043(5) -0.002(4) 0.014(4) C5 0.044(3) 0.033(3) 0.030(3) -0.0073(19) -0.0037(19) -0.0014(18) C6 0.047(3) 0.031(3) 0.031(3) -0.010(2) -0.0034(19) -0.0000(18) C7 0.042(3) 0.049(3) 0.032(3) -0.009(3) -0.002(2) -0.003(2) C8 0.080(5) 0.072(4) 0.046(4) -0.037(4) -0.006(3) -0.005(3) C9 0.036(3) 0.025(2) 0.038(3) 0.0026(17) -0.0018(19) 0.0013(18) C10 0.049(3) 0.039(3) 0.038(3) 0.006(3) -0.003(3) 0.005(2) C11 0.051(3) 0.050(3) 0.050(4) 0.001(3) -0.005(3) 0.012(3) C12 0.110(6) 0.074(5) 0.054(4) -0.009(4) -0.004(4) 0.020(4) C13 0.044(3) 0.038(3) 0.036(3) 0.004(2) 0.011(2) -0.0033(19) C14 0.036(3) 0.045(3) 0.032(3) -0.004(2) 0.0054(19) -0.003(2) C15 0.042(3) 0.049(3) 0.033(3) -0.001(2) 0.002(2) -0.002(2) C16 0.078(5) 0.066(4) 0.052(4) -0.001(3) 0.000(3) 0.017(3) C17 0.035(3) 0.023(3) 0.069(4) -0.0080(18) 0.022(3) 0.002(2) C18 0.033(3) 0.047(3) 0.047(3) 0.001(2) -0.006(2) -0.010(3) C19 0.031(3) 0.056(3) 0.039(3) -0.001(2) 0.0153(19) 0.001(3) C20 0.027(3) 0.051(3) 0.046(3) 0.001(2) -0.0029(19) 0.002(3) C21 0.032(3) 0.021(2) 0.044(3) -0.0002(16) 0.0117(18) -0.0073(17) C22 0.025(2) 0.025(2) 0.052(3) 0.0051(17) 0.0082(18) 0.0019(19) 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 for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; H H 0.0000 0.0000 ; International Tables for Crystallography (1992, Vol. C, Table 6.1.1.4) ; Ge Ge 0.1547 1.8001 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; P P 0.1023 0.0942 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; Pt Pt -1.7033 8.3905 ; International Tables for Crystallography (1992, 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 _geom_angle_publ_flag Ge1 Pt1 Ge2 86.042(17) yes Ge1 Pt1 P1 176.50(3) yes Ge1 Pt1 P2 97.16(3) yes Ge2 Pt1 P1 90.53(3) yes Ge2 Pt1 P2 176.09(3) yes P1 Pt1 P2 86.29(4) yes Pt1 Ge1 C1 113.04(14) yes Pt1 Ge1 C5 119.14(12) yes C1 Ge1 C5 105.03(19) yes Pt1 Ge2 C9 114.50(14) yes Pt1 Ge2 C13 115.89(13) yes C9 Ge2 C13 108.62(18) yes Pt1 P1 C17 114.10(16) yes Pt1 P1 C18 121.30(16) yes Pt1 P1 C21 108.62(13) yes C17 P1 C18 103.6(3) yes C17 P1 C21 104.9(2) yes C18 P1 C21 102.7(2) yes Pt1 P2 C19 117.31(15) yes Pt1 P2 C20 121.92(16) yes Pt1 P2 C22 106.44(14) yes C19 P2 C20 102.9(2) yes C19 P2 C22 103.5(3) yes C20 P2 C22 102.4(2) yes Ge1 C1 C2 113.9(4) yes C1 C2 C3 114.8(5) yes C2 C3 C4 115.0(6) yes Ge1 C5 C6 114.4(3) yes C5 C6 C7 115.8(4) yes C6 C7 C8 114.5(4) yes Ge2 C9 C10 114.6(3) yes C9 C10 C11 113.3(4) yes C10 C11 C12 114.3(5) yes Ge2 C13 C14 114.2(3) yes C13 C14 C15 114.9(4) yes C14 C15 C16 112.6(5) yes P1 C21 C22 109.1(3) yes P2 C22 C21 110.1(3) yes Pt1 Ge1 H1 108(2) no C1 Ge1 H1 96(3) no C5 Ge1 H1 113(3) no Pt1 Ge2 H2 113.8(13) no C9 Ge2 H2 101.4(13) no C13 Ge2 H2 100.9(14) no Ge1 C1 H3 108.777 no Ge1 C1 H4 108.784 no C2 C1 H3 108.781 no C2 C1 H4 108.787 no H3 C1 H4 107.665 no C1 C2 H5 108.563 no C1 C2 H6 108.571 no C3 C2 H5 108.574 no C3 C2 H6 108.570 no H5 C2 H6 107.550 no C2 C3 H7 108.512 no C2 C3 H8 108.512 no C4 C3 H7 108.513 no C4 C3 H8 108.502 no H7 C3 H8 107.517 no C3 C4 H9 109.472 no C3 C4 H10 109.459 no C3 C4 H11 109.466 no H9 C4 H10 109.481 no H9 C4 H11 109.481 no H10 C4 H11 109.468 no Ge1 C5 H12 108.651 no Ge1 C5 H13 108.657 no C6 C5 H12 108.667 no C6 C5 H13 108.674 no H12 C5 H13 107.603 no C5 C6 H14 108.326 no C5 C6 H15 108.327 no C7 C6 H14 108.317 no C7 C6 H15 108.319 no H14 C6 H15 107.412 no C6 C7 H16 108.628 no C6 C7 H17 108.624 no C8 C7 H16 108.643 no C8 C7 H17 108.634 no H16 C7 H17 107.582 no C7 C8 H18 109.474 no C7 C8 H19 109.478 no C7 C8 H20 109.470 no H18 C8 H19 109.467 no H18 C8 H20 109.463 no H19 C8 H20 109.475 no Ge2 C9 H21 108.602 no Ge2 C9 H22 108.600 no C10 C9 H21 108.609 no C10 C9 H22 108.605 no H21 C9 H22 107.567 no C9 C10 H23 108.909 no C9 C10 H24 108.918 no C11 C10 H23 108.910 no C11 C10 H24 108.905 no H23 C10 H24 107.737 no C10 C11 H25 108.677 no C10 C11 H26 108.683 no C12 C11 H25 108.682 no C12 C11 H26 108.679 no H25 C11 H26 107.614 no C11 C12 H27 109.469 no C11 C12 H28 109.473 no C11 C12 H29 109.474 no H27 C12 H28 109.462 no H27 C12 H29 109.473 no H28 C12 H29 109.477 no Ge2 C13 H30 108.701 no Ge2 C13 H31 108.712 no C14 C13 H30 108.702 no C14 C13 H31 108.700 no H30 C13 H31 107.622 no C13 C14 H32 108.536 no C13 C14 H33 108.537 no C15 C14 H32 108.540 no C15 C14 H33 108.541 no H32 C14 H33 107.527 no C14 C15 H34 109.073 no C14 C15 H35 109.075 no C16 C15 H34 109.065 no C16 C15 H35 109.068 no H34 C15 H35 107.821 no C15 C16 H36 109.473 no C15 C16 H37 109.474 no C15 C16 H38 109.465 no H36 C16 H37 109.469 no H36 C16 H38 109.472 no H37 C16 H38 109.474 no P1 C17 H39 109.470 no P1 C17 H40 109.474 no P1 C17 H41 109.475 no H39 C17 H40 109.472 no H39 C17 H41 109.466 no H40 C17 H41 109.470 no P1 C18 H42 109.471 no P1 C18 H43 109.479 no P1 C18 H44 109.470 no H42 C18 H43 109.472 no H42 C18 H44 109.461 no H43 C18 H44 109.475 no P2 C19 H45 109.477 no P2 C19 H46 109.468 no P2 C19 H47 109.465 no H45 C19 H46 109.471 no H45 C19 H47 109.471 no H46 C19 H47 109.475 no P2 C20 H48 109.464 no P2 C20 H49 109.467 no P2 C20 H50 109.465 no H48 C20 H49 109.470 no H48 C20 H50 109.476 no H49 C20 H50 109.484 no P1 C21 H51 109.864 no P1 C21 H52 109.872 no C22 C21 H51 109.868 no C22 C21 H52 109.872 no H51 C21 H52 108.294 no P2 C22 H53 109.640 no P2 C22 H54 109.628 no C21 C22 H53 109.637 no C21 C22 H54 109.630 no H53 C22 H54 108.158 no loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Pt1 Ge1 2.4454(5) yes Pt1 Ge2 2.4380(5) yes Pt1 P1 2.2665(10) yes Pt1 P2 2.2763(11) yes Ge1 C1 1.985(5) yes Ge1 C5 1.976(5) yes Ge2 C9 1.963(5) yes Ge2 C13 1.977(5) yes P1 C17 1.802(5) yes P1 C18 1.814(5) yes P1 C21 1.842(4) yes P2 C19 1.814(5) yes P2 C20 1.813(5) yes P2 C22 1.855(4) yes C1 C2 1.524(7) yes C2 C3 1.503(8) yes C3 C4 1.488(9) yes C5 C6 1.509(6) yes C6 C7 1.504(7) yes C7 C8 1.507(8) yes C9 C10 1.509(7) yes C10 C11 1.534(7) yes C11 C12 1.486(9) yes C13 C14 1.532(7) yes C14 C15 1.510(7) yes C15 C16 1.522(8) yes C21 C22 1.520(6) yes Ge1 H1 1.70(6) no Ge2 H2 1.61(4) no C1 H3 0.990 no C1 H4 0.990 no C2 H5 0.990 no C2 H6 0.990 no C3 H7 0.990 no C3 H8 0.990 no C4 H9 0.980 no C4 H10 0.980 no C4 H11 0.980 no C5 H12 0.990 no C5 H13 0.990 no C6 H14 0.990 no C6 H15 0.990 no C7 H16 0.990 no C7 H17 0.990 no C8 H18 0.980 no C8 H19 0.980 no C8 H20 0.980 no C9 H21 0.990 no C9 H22 0.990 no C10 H23 0.990 no C10 H24 0.990 no C11 H25 0.990 no C11 H26 0.990 no C12 H27 0.980 no C12 H28 0.980 no C12 H29 0.980 no C13 H30 0.990 no C13 H31 0.990 no C14 H32 0.990 no C14 H33 0.990 no C15 H34 0.990 no C15 H35 0.990 no C16 H36 0.980 no C16 H37 0.980 no C16 H38 0.980 no C17 H39 0.980 no C17 H40 0.980 no C17 H41 0.980 no C18 H42 0.980 no C18 H43 0.980 no C18 H44 0.980 no C19 H45 0.980 no C19 H46 0.980 no C19 H47 0.980 no C20 H48 0.980 no C20 H49 0.980 no C20 H50 0.980 no C21 H51 0.990 no C21 H52 0.990 no C22 H53 0.990 no C22 H54 0.990 no