#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:26:39 +0200 (lun 06 de sep de 2021) $
#$Revision: 268803 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/79/7707963.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_7707963
loop_
_publ_author_name
'Püschmann, Sabrina D'
'Frühwirt, Philipp'
'Müller, Stefanie M'
'Wagner, Stefan H.'
'Torvisco, Ana'
'Fischer, Roland C.'
'Kelterer, Anne-Marie'
'Griesser, Thomas'
'Gescheidt, Georg'
'Haas, Michael'
_publ_section_title
;
 Synthesis and characterization of diacylgermanes: persistent derivatives
 with superior photoreactivity.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11965
_journal_page_last               11974
_journal_paper_doi               10.1039/d1dt02091a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C32 H32 Ge O2'
_chemical_formula_sum            'C32 H32 Ge O2'
_chemical_formula_weight         521.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-20 deposited with the CCDC.	2021-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.517(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.9351(6)
_cell_length_b                   9.0656(3)
_cell_length_c                   16.5569(5)
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.06
_cell_measurement_theta_min      2.51
_cell_volume                     2637.82(15)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 924)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            137154
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.194
_diffrn_reflns_theta_min         2.318
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    1.188
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.4435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.833
_refine_diff_density_min         -0.722
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         10045
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0365P)²+0.7880P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0898
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8053
_reflns_number_total             10045
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02091a3.cif
_cod_data_source_block           AT1072_a
_cod_depositor_comments
'Adding full bibliography for 7707961--7707965.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7707963
_publcif_datablock.id            {c848a1ef-5b4f-4e6c-89af-8aae26e95138}
_shelx_shelxl_version_number     2018/3
_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   0.797
_shelx_estimated_absorpt_t_max   0.833
_publcif_funding_html
;
;
loop_
_space_group_symop_operation_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_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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.73935(2) 0.56505(2) 0.70180(2) 0.01292(4) Uani 1 1 d . . . . .
O1 O 0.70764(6) 0.60559(12) 0.85999(6) 0.0227(2) Uani 1 1 d . . . . .
O2 O 0.60024(6) 0.59166(11) 0.59478(7) 0.0253(2) Uani 1 1 d . . . . .
C1 C 0.68984(7) 0.65756(14) 0.79102(8) 0.0163(2) Uani 1 1 d . . . . .
C2 C 0.64954(7) 0.49820(14) 0.61420(8) 0.0164(2) Uani 1 1 d . . . . .
C3 C 0.63543(7) 0.78484(14) 0.77592(8) 0.0165(2) Uani 1 1 d . . . . .
C4 C 0.62374(7) 0.86866(14) 0.70374(8) 0.0186(2) Uani 1 1 d . . . . .
H4 H 0.649889 0.844404 0.660969 0.022 Uiso 1 1 calc R U . . .
C5 C 0.57367(8) 0.98800(15) 0.69444(9) 0.0221(3) Uani 1 1 d . . . . .
H5 H 0.566356 1.045779 0.645623 0.027 Uiso 1 1 calc R U . . .
C6 C 0.53460(8) 1.02257(17) 0.75604(10) 0.0255(3) Uani 1 1 d . . . . .
H6 H 0.500003 1.103091 0.749089 0.031 Uiso 1 1 calc R U . . .
C7 C 0.54590(9) 0.93964(16) 0.82807(10) 0.0263(3) Uani 1 1 d . . . . .
H7 H 0.519139 0.963794 0.870352 0.032 Uiso 1 1 calc R U . . .
C8 C 0.59613(8) 0.82178(16) 0.83833(9) 0.0219(3) Uani 1 1 d . . . . .
H8 H 0.603976 0.765805 0.887809 0.026 Uiso 1 1 calc R U . . .
C9 C 0.64032(7) 0.34910(14) 0.57474(8) 0.0162(2) Uani 1 1 d . . . . .
C10 C 0.69817(7) 0.24310(15) 0.58886(9) 0.0213(3) Uani 1 1 d . . . . .
H10 H 0.744509 0.263123 0.626325 0.026 Uiso 1 1 calc R U . . .
C11 C 0.68772(8) 0.10801(16) 0.54786(10) 0.0260(3) Uani 1 1 d . . . . .
H11 H 0.727153 0.036346 0.557140 0.031 Uiso 1 1 calc R U . . .
C12 C 0.61979(9) 0.07789(16) 0.49344(10) 0.0258(3) Uani 1 1 d . . . . .
H12 H 0.612951 -0.014256 0.465624 0.031 Uiso 1 1 calc R U . . .
C13 C 0.56183(8) 0.18219(16) 0.47962(9) 0.0236(3) Uani 1 1 d . . . . .
H13 H 0.515297 0.161209 0.442716 0.028 Uiso 1 1 calc R U . . .
C14 C 0.57222(7) 0.31722(15) 0.51997(8) 0.0189(2) Uani 1 1 d . . . . .
H14 H 0.532660 0.388616 0.510256 0.023 Uiso 1 1 calc R U . . .
C15 C 0.79483(7) 0.72150(14) 0.65572(8) 0.0153(2) Uani 1 1 d . . . . .
C16 C 0.79941(7) 0.72640(14) 0.57194(8) 0.0176(2) Uani 1 1 d . . . . .
C17 C 0.83912(8) 0.84170(15) 0.54325(9) 0.0213(3) Uani 1 1 d . . . . .
H17 H 0.842421 0.843759 0.486706 0.026 Uiso 1 1 calc R U . . .
C18 C 0.87387(8) 0.95327(15) 0.59504(10) 0.0222(3) Uani 1 1 d . . . . .
C19 C 0.86987(8) 0.94636(15) 0.67780(9) 0.0216(3) Uani 1 1 d . . . . .
H19 H 0.893147 1.021949 0.713963 0.026 Uiso 1 1 calc R U . . .
C20 C 0.83251(7) 0.83116(14) 0.70934(8) 0.0180(2) Uani 1 1 d . . . . .
C21 C 0.76502(9) 0.60919(17) 0.51121(9) 0.0256(3) Uani 1 1 d . . . . .
H21A H 0.709803 0.623303 0.496390 0.038 Uiso 1 1 calc R U . . .
H21B H 0.776113 0.511602 0.536186 0.038 Uiso 1 1 calc R U . . .
H21C H 0.786802 0.616471 0.461578 0.038 Uiso 1 1 calc R U . . .
C22 C 0.91494(10) 1.07808(19) 0.56289(12) 0.0353(4) Uani 1 1 d . . . . .
H22A H 0.905827 1.073282 0.502587 0.053 Uiso 1 1 calc R U . . .
H22B H 0.969642 1.069951 0.585318 0.053 Uiso 1 1 calc R U . . .
H22C H 0.896105 1.172316 0.579829 0.053 Uiso 1 1 calc R U . . .
C23 C 0.83711(9) 0.82716(17) 0.80127(9) 0.0261(3) Uani 1 1 d . . . . .
H23A H 0.791084 0.871486 0.814288 0.039 Uiso 1 1 calc R U . . .
H23B H 0.881838 0.882769 0.828896 0.039 Uiso 1 1 calc R U . . .
H23C H 0.841394 0.724607 0.820362 0.039 Uiso 1 1 calc R U . . .
C24 C 0.80456(7) 0.41021(13) 0.76209(8) 0.0148(2) Uani 1 1 d . . . . .
C25 C 0.77176(7) 0.31103(14) 0.81065(8) 0.0166(2) Uani 1 1 d . . . . .
C26 C 0.81849(8) 0.21816(14) 0.86623(8) 0.0194(2) Uani 1 1 d . . . . .
H26 H 0.795830 0.153535 0.899559 0.023 Uiso 1 1 calc R U . . .
C27 C 0.89695(8) 0.21734(14) 0.87427(8) 0.0194(2) Uani 1 1 d . . . . .
C28 C 0.92835(7) 0.30702(15) 0.82167(8) 0.0194(2) Uani 1 1 d . . . . .
H28 H 0.981679 0.303377 0.824000 0.023 Uiso 1 1 calc R U . . .
C29 C 0.88394(7) 0.40226(14) 0.76553(8) 0.0175(2) Uani 1 1 d . . . . .
C30 C 0.92435(8) 0.48934(18) 0.70951(10) 0.0276(3) Uani 1 1 d . . . . .
H30A H 0.973835 0.443950 0.708941 0.041 Uiso 1 1 calc R U . . .
H30B H 0.931952 0.590940 0.729693 0.041 Uiso 1 1 calc R U . . .
H30C H 0.893514 0.489679 0.653528 0.041 Uiso 1 1 calc R U . . .
C31 C 0.68690(8) 0.29303(15) 0.80371(9) 0.0222(3) Uani 1 1 d . . . . .
H31A H 0.659890 0.358012 0.760245 0.033 Uiso 1 1 calc R U . . .
H31B H 0.673217 0.319058 0.856334 0.033 Uiso 1 1 calc R U . . .
H31C H 0.672586 0.190342 0.790054 0.033 Uiso 1 1 calc R U . . .
C32 C 0.94739(9) 0.12241(16) 0.93752(9) 0.0263(3) Uani 1 1 d . . . . .
H32A H 0.976174 0.053939 0.909627 0.039 Uiso 1 1 calc R U . . .
H32B H 0.915930 0.066375 0.968759 0.039 Uiso 1 1 calc R U . . .
H32C H 0.982816 0.185282 0.975258 0.039 Uiso 1 1 calc R U . . .
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'
Ge Ge 0.1547 1.8001 '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'
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
C24 Ge1 C15 114.52(5) . . ?
C24 Ge1 C2 117.09(5) . . ?
C15 Ge1 C2 109.12(5) . . ?
C24 Ge1 C1 103.04(5) . . ?
C15 Ge1 C1 108.03(5) . . ?
C2 Ge1 C1 103.92(5) . . ?
O1 C1 C3 119.62(12) . . ?
O1 C1 Ge1 116.58(10) . . ?
C3 C1 Ge1 123.79(9) . . ?
O2 C2 C9 120.07(11) . . ?
O2 C2 Ge1 114.21(9) . . ?
C9 C2 Ge1 125.71(9) . . ?
C4 C3 C8 119.27(12) . . ?
C4 C3 C1 122.88(12) . . ?
C8 C3 C1 117.84(12) . . ?
C5 C4 C3 120.00(13) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.26(14) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 120.09(13) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C8 C7 C6 120.13(14) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C7 C8 C3 120.25(14) . . ?
C7 C8 H8 119.9 . . ?
C3 C8 H8 119.9 . . ?
C14 C9 C10 119.28(12) . . ?
C14 C9 C2 118.42(11) . . ?
C10 C9 C2 122.27(11) . . ?
C11 C10 C9 119.90(13) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 C10 120.21(13) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C11 120.20(13) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C12 119.75(13) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C9 120.65(12) . . ?
C13 C14 H14 119.7 . . ?
C9 C14 H14 119.7 . . ?
C16 C15 C20 118.89(12) . . ?
C16 C15 Ge1 122.53(10) . . ?
C20 C15 Ge1 118.58(9) . . ?
C17 C16 C15 119.46(12) . . ?
C17 C16 C21 117.90(12) . . ?
C15 C16 C21 122.61(12) . . ?
C18 C17 C16 121.98(13) . . ?
C18 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C19 C18 C17 118.09(12) . . ?
C19 C18 C22 120.59(14) . . ?
C17 C18 C22 121.32(14) . . ?
C18 C19 C20 121.73(13) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 H19 119.1 . . ?
C19 C20 C15 119.75(12) . . ?
C19 C20 C23 117.49(12) . . ?
C15 C20 C23 122.72(12) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C29 118.37(11) . . ?
C25 C24 Ge1 118.09(9) . . ?
C29 C24 Ge1 123.24(9) . . ?
C26 C25 C24 119.75(12) . . ?
C26 C25 C31 116.59(12) . . ?
C24 C25 C31 123.60(11) . . ?
C27 C26 C25 122.04(12) . . ?
C27 C26 H26 119.0 . . ?
C25 C26 H26 119.0 . . ?
C26 C27 C28 117.84(12) . . ?
C26 C27 C32 121.73(13) . . ?
C28 C27 C32 120.43(13) . . ?
C27 C28 C29 122.02(12) . . ?
C27 C28 H28 119.0 . . ?
C29 C28 H28 119.0 . . ?
C28 C29 C24 119.61(12) . . ?
C28 C29 C30 116.91(12) . . ?
C24 C29 C30 123.46(12) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C25 C31 H31A 109.5 . . ?
C25 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C25 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
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
Ge1 C24 1.9668(12) . ?
Ge1 C15 1.9715(12) . ?
Ge1 C2 2.0329(12) . ?
Ge1 C1 2.0489(13) . ?
O1 C1 1.2175(16) . ?
O2 C2 1.2205(15) . ?
C1 C3 1.4995(18) . ?
C2 C9 1.4960(18) . ?
C3 C4 1.3963(19) . ?
C3 C8 1.4025(19) . ?
C4 C5 1.3949(19) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.390(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(2) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C14 1.3983(18) . ?
C9 C10 1.3993(17) . ?
C10 C11 1.395(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.390(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.3892(19) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.4065(18) . ?
C15 C20 1.4121(18) . ?
C16 C17 1.4002(19) . ?
C16 C21 1.508(2) . ?
C17 C18 1.390(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.388(2) . ?
C18 C22 1.504(2) . ?
C19 C20 1.3971(19) . ?
C19 H19 0.9500 . ?
C20 C23 1.508(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.4105(18) . ?
C24 C29 1.4153(17) . ?
C25 C26 1.3964(18) . ?
C25 C31 1.5122(18) . ?
C26 C27 1.387(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(2) . ?
C27 C32 1.5091(19) . ?
C28 C29 1.3958(18) . ?
C28 H28 0.9500 . ?
C29 C30 1.509(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
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
O1 C1 C3 C4 167.06(12) . . . . ?
Ge1 C1 C3 C4 -11.63(17) . . . . ?
O1 C1 C3 C8 -11.63(18) . . . . ?
Ge1 C1 C3 C8 169.68(10) . . . . ?
C8 C3 C4 C5 0.26(19) . . . . ?
C1 C3 C4 C5 -178.41(12) . . . . ?
C3 C4 C5 C6 -0.9(2) . . . . ?
C4 C5 C6 C7 0.9(2) . . . . ?
C5 C6 C7 C8 -0.2(2) . . . . ?
C6 C7 C8 C3 -0.5(2) . . . . ?
C4 C3 C8 C7 0.4(2) . . . . ?
C1 C3 C8 C7 179.16(12) . . . . ?
O2 C2 C9 C14 -4.3(2) . . . . ?
Ge1 C2 C9 C14 175.15(10) . . . . ?
O2 C2 C9 C10 173.70(14) . . . . ?
Ge1 C2 C9 C10 -6.87(19) . . . . ?
C14 C9 C10 C11 0.6(2) . . . . ?
C2 C9 C10 C11 -177.37(14) . . . . ?
C9 C10 C11 C12 -0.5(2) . . . . ?
C10 C11 C12 C13 -0.1(2) . . . . ?
C11 C12 C13 C14 0.4(2) . . . . ?
C12 C13 C14 C9 -0.3(2) . . . . ?
C10 C9 C14 C13 -0.2(2) . . . . ?
C2 C9 C14 C13 177.84(13) . . . . ?
C20 C15 C16 C17 -1.86(18) . . . . ?
Ge1 C15 C16 C17 179.32(9) . . . . ?
C20 C15 C16 C21 176.26(12) . . . . ?
Ge1 C15 C16 C21 -2.56(18) . . . . ?
C15 C16 C17 C18 -0.6(2) . . . . ?
C21 C16 C17 C18 -178.85(13) . . . . ?
C16 C17 C18 C19 1.5(2) . . . . ?
C16 C17 C18 C22 -178.72(14) . . . . ?
C17 C18 C19 C20 0.2(2) . . . . ?
C22 C18 C19 C20 -179.58(14) . . . . ?
C18 C19 C20 C15 -2.7(2) . . . . ?
C18 C19 C20 C23 174.97(13) . . . . ?
C16 C15 C20 C19 3.50(18) . . . . ?
Ge1 C15 C20 C19 -177.63(10) . . . . ?
C16 C15 C20 C23 -174.09(13) . . . . ?
Ge1 C15 C20 C23 4.79(17) . . . . ?
C29 C24 C25 C26 6.09(19) . . . . ?
Ge1 C24 C25 C26 -167.89(10) . . . . ?
C29 C24 C25 C31 -170.97(12) . . . . ?
Ge1 C24 C25 C31 15.05(17) . . . . ?
C24 C25 C26 C27 -1.5(2) . . . . ?
C31 C25 C26 C27 175.74(13) . . . . ?
C25 C26 C27 C28 -3.4(2) . . . . ?
C25 C26 C27 C32 176.78(13) . . . . ?
C26 C27 C28 C29 3.8(2) . . . . ?
C32 C27 C28 C29 -176.41(13) . . . . ?
C27 C28 C29 C24 0.8(2) . . . . ?
C27 C28 C29 C30 -177.63(13) . . . . ?
C25 C24 C29 C28 -5.73(19) . . . . ?
Ge1 C24 C29 C28 167.92(10) . . . . ?
C25 C24 C29 C30 172.58(13) . . . . ?
Ge1 C24 C29 C30 -13.77(19) . . . . ?
