#------------------------------------------------------------------------------ #$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $ #$Revision: 91933 $ #$URL: svn://www.crystallography.net/cod/cif/2/01/30/2013018.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2013018 loop_ _publ_author_name 'Hans, Karm' 'Parvez, Masood' 'Mahboob, Sumera' Imtiaz-ud-Din 'Mazhar, Muhammad' 'Ali, Saqib' _publ_section_title ; Derivatives of substituted 3-trichlorogermylpropionic acid ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m559 _journal_page_last m562 _journal_volume 58 _journal_year 2002 _chemical_formula_iupac '[Ge (C6 H5)3 (C9 H8 F O2)]' _chemical_formula_moiety 'C27 H23 F Ge O2' _chemical_formula_sum 'C27 H23 F Ge O2' _chemical_formula_weight 471.04 _chemical_name_systematic ; 3-(2-fluorophenyl)-3-(triphenylgermyl)propionic acid ; _space_group_IT_number 14 _symmetry_cell_setting monoclinic _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 _cell_angle_beta 110.907(8) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.7278(10) _cell_length_b 17.907(3) _cell_length_c 13.541(2) _cell_measurement_reflns_used 9816 _cell_measurement_temperature 170(2) _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 1.0 _cell_volume 2203.5(6) _computing_cell_refinement 'HKL DENZO (Otwinowski & Minor, 1997)' _computing_data_collection 'COLLECT (Nonius, 1998)' _computing_data_reduction 'SCALEPACK (Otwinowski & Minor, 1997)' _computing_molecular_graphics 'ORTEPII (Johnson, 1976)' _computing_publication_material SHELXL97 _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SAPI91 (Fan, 1991)' _diffrn_ambient_temperature 170(2) _diffrn_measured_fraction_theta_full 0.990 _diffrn_measured_fraction_theta_max 0.990 _diffrn_measurement_device_type 'Nonius KappaCCD area-detector' _diffrn_measurement_method '\w and \f' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.017 _diffrn_reflns_av_sigmaI/netI 0.031 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 9816 _diffrn_reflns_theta_full 27.5 _diffrn_reflns_theta_max 27.5 _diffrn_reflns_theta_min 3.2 _diffrn_standards_decay_% <0.1 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.420 _exptl_absorpt_correction_T_max 0.820 _exptl_absorpt_correction_T_min 0.711 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SORTAV; Blessing, 1997)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.420 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 968 _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.14 _refine_diff_density_max 0.30 _refine_diff_density_min -0.44 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.03 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 281 _refine_ls_number_reflns 5026 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.03 _refine_ls_R_factor_all 0.035 _refine_ls_R_factor_gt 0.028 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.00 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.0332P)^2^+0.8526P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.067 _refine_ls_wR_factor_ref 0.070 _reflns_number_gt 4338 _reflns_number_total 5026 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file fr1392.cif _[local]_cod_data_source_block I _[local]_cod_cif_authors_sg_H-M 'P 21/c' _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana ; _cod_database_code 2013018 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _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 _atom_site_type_symbol Ge1 0.839925(17) 0.183673(9) 0.828679(12) 0.02017(6) Uani d . 1 . . Ge F1 0.61906(12) 0.00707(6) 0.69416(9) 0.0392(3) Uani d . 1 . . F O1 0.88991(12) 0.02038(6) 0.56415(9) 0.0279(3) Uani d . 1 . . O O2 1.07267(14) 0.09183(7) 0.55351(10) 0.0341(3) Uani d . 1 . . O H2 1.0824 0.0565 0.5158 0.051 Uiso calc R 1 . . H C1 0.96590(17) 0.07620(9) 0.58850(12) 0.0231(3) Uani d . 1 . . C C2 0.95146(18) 0.13483(9) 0.66445(13) 0.0260(3) Uani d . 1 . . C H2A 0.9301 0.1836 0.6277 0.031 Uiso calc R 1 . . H H2B 1.0465 0.1393 0.7241 0.031 Uiso calc R 1 . . H C3 0.83045(16) 0.11711(9) 0.70813(12) 0.0225(3) Uani d . 1 . . C H3 0.8481 0.0650 0.7365 0.027 Uiso calc R 1 . . H C4 0.67724(17) 0.11887(9) 0.62599(12) 0.0220(3) Uani d . 1 . . C C5 0.6257(2) 0.17702(10) 0.55313(14) 0.0304(4) Uani d . 1 . . C H5 0.6911 0.2160 0.5513 0.036 Uiso calc R 1 . . H C6 0.4808(2) 0.17886(11) 0.48336(15) 0.0392(5) Uani d . 1 . . C H6 0.4479 0.2194 0.4354 0.047 Uiso calc R 1 . . H C7 0.3844(2) 0.12260(12) 0.48314(14) 0.0401(5) Uani d . 1 . . C H7 0.2860 0.1238 0.4343 0.048 Uiso calc R 1 . . H C8 0.43100(19) 0.06432(11) 0.55400(14) 0.0348(4) Uani d . 1 . . C H8 0.3656 0.0253 0.5553 0.042 Uiso calc R 1 . . H C9 0.57508(18) 0.06432(9) 0.62294(13) 0.0269(3) Uani d . 1 . . C C11 0.66775(17) 0.15948(9) 0.86442(12) 0.0224(3) Uani d . 1 . . C C12 0.52581(18) 0.16953(10) 0.78972(13) 0.0267(4) Uani d . 1 . . C H12 0.5136 0.1934 0.7245 0.032 Uiso calc R 1 . . H C13 0.40272(19) 0.14504(11) 0.80971(15) 0.0348(4) Uani d . 1 . . C H13 0.3074 0.1507 0.7575 0.042 Uiso calc R 1 . . H C14 0.4194(2) 0.11243(12) 0.90557(15) 0.0401(5) Uani d . 1 . . C H14 0.3354 0.0959 0.9196 0.048 Uiso calc R 1 . . H C15 0.5585(2) 0.10372(12) 0.98131(15) 0.0386(4) Uani d . 1 . . C H15 0.5694 0.0818 1.0476 0.046 Uiso calc R 1 . . H C16 0.68217(19) 0.12679(10) 0.96110(13) 0.0294(4) Uani d . 1 . . C H16 0.7772 0.1203 1.0134 0.035 Uiso calc R 1 . . H C18 1.02127(17) 0.16128(9) 0.94756(12) 0.0231(3) Uani d . 1 . . C C19 1.06854(18) 0.08792(9) 0.97522(13) 0.0270(3) Uani d . 1 . . C H19 1.0147 0.0478 0.9330 0.032 Uiso calc R 1 . . H C20 1.19301(19) 0.07254(11) 1.06353(14) 0.0335(4) Uani d . 1 . . C H20 1.2228 0.0223 1.0813 0.040 Uiso calc R 1 . . H C21 1.2733(2) 0.13015(12) 1.12541(15) 0.0395(4) Uani d . 1 . . C H21 1.3577 0.1198 1.1861 0.047 Uiso calc R 1 . . H C22 1.2295(2) 0.20313(12) 1.09784(16) 0.0433(5) Uani d . 1 . . C H22 1.2854 0.2430 1.1394 0.052 Uiso calc R 1 . . H C23 1.1049(2) 0.21889(10) 1.01034(14) 0.0335(4) Uani d . 1 . . C H23 1.0761 0.2693 0.9930 0.040 Uiso calc R 1 . . H C25 0.83946(18) 0.28931(9) 0.79274(12) 0.0246(3) Uani d . 1 . . C C26 0.7291(2) 0.33745(10) 0.79790(14) 0.0318(4) Uani d . 1 . . C H26 0.6522 0.3183 0.8185 0.038 Uiso calc R 1 . . H C27 0.7298(2) 0.41287(11) 0.77340(15) 0.0402(5) Uani d . 1 . . C H27 0.6538 0.4448 0.7771 0.048 Uiso calc R 1 . . H C28 0.8411(2) 0.44124(11) 0.74363(15) 0.0414(5) Uani d . 1 . . C H28 0.8410 0.4926 0.7261 0.050 Uiso calc R 1 . . H C29 0.9525(2) 0.39507(11) 0.73934(15) 0.0379(4) Uani d . 1 . . C H29 1.0295 0.4148 0.7194 0.045 Uiso calc R 1 . . H C30 0.9521(2) 0.31984(9) 0.76410(14) 0.0302(4) Uani d . 1 . . C H30 1.0297 0.2886 0.7615 0.036 Uiso calc R 1 . . H 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 Ge1 0.01820(9) 0.02157(10) 0.02182(10) -0.00053(6) 0.00844(7) -0.00249(6) F1 0.0352(6) 0.0321(6) 0.0454(6) -0.0083(5) 0.0083(5) 0.0083(5) O1 0.0255(6) 0.0278(6) 0.0346(6) -0.0037(5) 0.0159(5) -0.0092(5) O2 0.0371(7) 0.0284(7) 0.0488(8) -0.0086(5) 0.0300(6) -0.0135(6) C1 0.0191(7) 0.0248(8) 0.0259(8) 0.0013(6) 0.0088(6) -0.0018(6) C2 0.0218(8) 0.0263(8) 0.0328(8) -0.0037(6) 0.0134(7) -0.0084(7) C3 0.0197(7) 0.0231(8) 0.0262(8) -0.0006(6) 0.0100(6) -0.0029(6) C4 0.0213(7) 0.0257(8) 0.0218(7) 0.0004(6) 0.0111(6) -0.0044(6) C5 0.0334(9) 0.0326(10) 0.0286(9) 0.0013(7) 0.0153(8) 0.0029(7) C6 0.0349(10) 0.0476(12) 0.0315(10) 0.0115(9) 0.0075(8) 0.0102(8) C7 0.0245(9) 0.0603(13) 0.0302(9) 0.0054(9) 0.0033(7) -0.0043(9) C8 0.0245(9) 0.0421(11) 0.0369(10) -0.0078(8) 0.0099(8) -0.0102(8) C9 0.0275(8) 0.0274(9) 0.0262(8) -0.0013(7) 0.0101(7) -0.0015(6) C11 0.0224(8) 0.0226(8) 0.0243(8) 0.0002(6) 0.0107(6) -0.0034(6) C12 0.0227(8) 0.0343(9) 0.0254(8) 0.0027(7) 0.0116(7) 0.0006(7) C13 0.0218(8) 0.0478(11) 0.0358(9) -0.0013(8) 0.0116(7) -0.0017(8) C14 0.0329(10) 0.0528(12) 0.0420(10) -0.0102(9) 0.0225(9) -0.0013(9) C15 0.0400(10) 0.0498(12) 0.0305(9) -0.0056(9) 0.0183(8) 0.0059(8) C16 0.0275(9) 0.0357(10) 0.0248(8) 0.0009(7) 0.0090(7) 0.0003(7) C18 0.0197(7) 0.0274(8) 0.0241(8) -0.0017(6) 0.0102(6) -0.0029(6) C19 0.0254(8) 0.0265(9) 0.0301(8) -0.0019(7) 0.0111(7) -0.0002(7) C20 0.0271(9) 0.0370(10) 0.0364(9) 0.0044(7) 0.0113(8) 0.0089(8) C21 0.0243(9) 0.0554(13) 0.0334(9) 0.0007(8) 0.0036(7) 0.0044(9) C22 0.0327(10) 0.0462(12) 0.0400(11) -0.0092(9) -0.0006(8) -0.0111(9) C23 0.0325(9) 0.0274(9) 0.0357(9) -0.0033(7) 0.0062(8) -0.0066(7) C25 0.0278(8) 0.0232(8) 0.0216(7) -0.0011(7) 0.0073(6) -0.0028(6) C26 0.0300(9) 0.0302(9) 0.0346(9) 0.0015(7) 0.0107(7) -0.0030(7) C27 0.0415(11) 0.0285(10) 0.0416(11) 0.0083(8) 0.0040(9) -0.0048(8) C28 0.0531(12) 0.0244(9) 0.0356(10) -0.0060(9) 0.0022(9) 0.0007(8) C29 0.0469(11) 0.0321(10) 0.0348(10) -0.0121(9) 0.0146(9) -0.0014(8) C30 0.0336(9) 0.0274(9) 0.0313(9) -0.0043(7) 0.0137(8) -0.0039(7) 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 Ge1 C11 . 1.951(2) y Ge1 C25 . 1.953(2) y Ge1 C18 . 1.959(2) y Ge1 C3 . 1.997(2) y F1 C9 . 1.367(2) y O1 C1 . 1.217(2) y O2 C1 . 1.316(2) y O2 H2 . 0.8400 n C1 C2 . 1.511(2) n C2 C3 . 1.527(2) n C2 H2A . 0.9900 n C2 H2B . 0.9900 n C3 C4 . 1.509(2) n C3 H3 . 1.0000 n C4 C9 . 1.383(2) n C4 C5 . 1.399(2) n C5 C6 . 1.390(3) n C5 H5 . 0.9500 n C6 C7 . 1.375(3) n C6 H6 . 0.9500 n C7 C8 . 1.380(3) n C7 H7 . 0.9500 n C8 C9 . 1.379(2) n C8 H8 . 0.9500 n C11 C16 . 1.395(2) n C11 C12 . 1.402(2) n C12 C13 . 1.389(2) n C12 H12 . 0.9500 n C13 C14 . 1.379(3) n C13 H13 . 0.9500 n C14 C15 . 1.384(3) n C14 H14 . 0.9500 n C15 C16 . 1.388(2) n C15 H15 . 0.9500 n C16 H16 . 0.9500 n C18 C19 . 1.398(2) n C18 C23 . 1.398(2) n C19 C20 . 1.392(2) n C19 H19 . 0.9500 n C20 C21 . 1.382(3) n C20 H20 . 0.9500 n C21 C22 . 1.384(3) n C21 H21 . 0.9500 n C22 C23 . 1.388(3) n C22 H22 . 0.9500 n C23 H23 . 0.9500 n C25 C30 . 1.397(2) n C25 C26 . 1.398(2) n C26 C27 . 1.391(3) n C26 H26 . 0.9500 n C27 C28 . 1.380(3) n C27 H27 . 0.9500 n C28 C29 . 1.381(3) n C28 H28 . 0.9500 n C29 C30 . 1.389(3) n C29 H29 . 0.9500 n C30 H30 . 0.9500 n 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 '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 _geom_angle_publ_flag C11 Ge1 C25 110.55(7) y C11 Ge1 C18 110.60(6) y C25 Ge1 C18 108.93(7) y C11 Ge1 C3 106.08(6) y C25 Ge1 C3 112.29(7) y C18 Ge1 C3 108.35(6) y C1 O2 H2 109.5 n O1 C1 O2 123.93(14) n O1 C1 C2 124.07(14) n O2 C1 C2 111.98(13) n C1 C2 C3 113.01(13) n C1 C2 H2A 109.0 n C3 C2 H2A 109.0 n C1 C2 H2B 109.0 n C3 C2 H2B 109.0 n H2A C2 H2B 107.8 n C4 C3 C2 113.91(13) n C4 C3 Ge1 109.60(10) n C2 C3 Ge1 112.05(10) n C4 C3 H3 107.0 n C2 C3 H3 107.0 n Ge1 C3 H3 107.0 n C9 C4 C5 115.59(15) n C9 C4 C3 121.16(14) n C5 C4 C3 123.13(15) n C6 C5 C4 121.23(17) n C6 C5 H5 119.4 n C4 C5 H5 119.4 n C7 C6 C5 120.62(17) n C7 C6 H6 119.7 n C5 C6 H6 119.7 n C6 C7 C8 119.87(17) n C6 C7 H7 120.1 n C8 C7 H7 120.1 n C9 C8 C7 118.21(17) n C9 C8 H8 120.9 n C7 C8 H8 120.9 n F1 C9 C8 117.64(15) n F1 C9 C4 117.88(14) n C8 C9 C4 124.47(16) n C16 C11 C12 118.32(15) n C16 C11 Ge1 121.22(12) n C12 C11 Ge1 120.29(12) n C13 C12 C11 120.96(16) n C13 C12 H12 119.5 n C11 C12 H12 119.5 n C14 C13 C12 119.77(17) n C14 C13 H13 120.1 n C12 C13 H13 120.1 n C13 C14 C15 120.06(17) n C13 C14 H14 120.0 n C15 C14 H14 120.0 n C14 C15 C16 120.46(17) n C14 C15 H15 119.8 n C16 C15 H15 119.8 n C15 C16 C11 120.39(16) n C15 C16 H16 119.8 n C11 C16 H16 119.8 n C19 C18 C23 117.79(15) n C19 C18 Ge1 121.75(12) n C23 C18 Ge1 120.42(13) n C20 C19 C18 121.21(16) n C20 C19 H19 119.4 n C18 C19 H19 119.4 n C21 C20 C19 120.22(17) n C21 C20 H20 119.9 n C19 C20 H20 119.9 n C20 C21 C22 119.22(17) n C20 C21 H21 120.4 n C22 C21 H21 120.4 n C21 C22 C23 120.89(18) n C21 C22 H22 119.6 n C23 C22 H22 119.6 n C22 C23 C18 120.66(18) n C22 C23 H23 119.7 n C18 C23 H23 119.7 n C30 C25 C26 117.71(16) n C30 C25 Ge1 121.05(13) n C26 C25 Ge1 121.22(13) n C27 C26 C25 121.15(18) n C27 C26 H26 119.4 n C25 C26 H26 119.4 n C28 C27 C26 119.89(18) n C28 C27 H27 120.1 n C26 C27 H27 120.1 n C27 C28 C29 120.09(18) n C27 C28 H28 120.0 n C29 C28 H28 120.0 n C28 C29 C30 120.03(18) n C28 C29 H29 120.0 n C30 C29 H29 120.0 n C29 C30 C25 121.12(17) n C29 C30 H30 119.4 n C25 C30 H30 119.4 n loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA O2 H2 O1 3_756 0.84 1.83 2.6689(16) 178 C8 H8 O1 3_656 0.95 2.57 3.323(2) 137 C3 H3 F1 . 1.00 2.34 2.805(2) 108 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_publ_flag O1 C1 C2 C3 -0.1(2) n O2 C1 C2 C3 -178.73(14) n C1 C2 C3 C4 -66.29(18) n C1 C2 C3 Ge1 168.58(11) n C11 Ge1 C3 C4 47.19(12) n C25 Ge1 C3 C4 -73.68(12) n C18 Ge1 C3 C4 165.96(10) n C11 Ge1 C3 C2 174.66(11) n C25 Ge1 C3 C2 53.79(13) n C18 Ge1 C3 C2 -66.56(13) n C2 C3 C4 C9 136.78(15) n Ge1 C3 C4 C9 -96.80(15) n C2 C3 C4 C5 -47.4(2) n Ge1 C3 C4 C5 78.99(16) n C9 C4 C5 C6 0.3(2) n C3 C4 C5 C6 -175.71(16) n C4 C5 C6 C7 -1.0(3) n C5 C6 C7 C8 1.2(3) n C6 C7 C8 C9 -0.5(3) n C7 C8 C9 F1 178.72(16) n C7 C8 C9 C4 -0.2(3) n C5 C4 C9 F1 -178.60(14) n C3 C4 C9 F1 -2.5(2) n C5 C4 C9 C8 0.3(2) n C3 C4 C9 C8 176.41(15) n C25 Ge1 C11 C16 -124.11(14) n C18 Ge1 C11 C16 -3.38(16) n C3 Ge1 C11 C16 113.91(14) n C25 Ge1 C11 C12 60.74(15) n C18 Ge1 C11 C12 -178.53(13) n C3 Ge1 C11 C12 -61.24(14) n C16 C11 C12 C13 -2.4(2) n Ge1 C11 C12 C13 172.91(14) n C11 C12 C13 C14 2.0(3) n C12 C13 C14 C15 -0.4(3) n C13 C14 C15 C16 -0.8(3) n C14 C15 C16 C11 0.4(3) n C12 C11 C16 C15 1.2(3) n Ge1 C11 C16 C15 -174.07(14) n C11 Ge1 C18 C19 73.15(14) n C25 Ge1 C18 C19 -165.16(13) n C3 Ge1 C18 C19 -42.73(14) n C11 Ge1 C18 C23 -104.30(14) n C25 Ge1 C18 C23 17.39(15) n C3 Ge1 C18 C23 139.82(13) n C23 C18 C19 C20 1.3(2) n Ge1 C18 C19 C20 -176.26(13) n C18 C19 C20 C21 -0.5(3) n C19 C20 C21 C22 -0.7(3) n C20 C21 C22 C23 1.2(3) n C21 C22 C23 C18 -0.4(3) n C19 C18 C23 C22 -0.8(3) n Ge1 C18 C23 C22 176.77(15) n C11 Ge1 C25 C30 -179.87(13) n C18 Ge1 C25 C30 58.41(15) n C3 Ge1 C25 C30 -61.61(15) n C11 Ge1 C25 C26 2.13(15) n C18 Ge1 C25 C26 -119.59(14) n C3 Ge1 C25 C26 120.39(13) n C30 C25 C26 C27 1.2(3) n Ge1 C25 C26 C27 179.28(14) n C25 C26 C27 C28 -0.2(3) n C26 C27 C28 C29 -0.7(3) n C27 C28 C29 C30 0.6(3) n C28 C29 C30 C25 0.5(3) n C26 C25 C30 C29 -1.4(3) n Ge1 C25 C30 C29 -179.48(13) n _cod_database_fobs_code 2013018 _journal_paper_doi 10.1107/S010827010201795X