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#$Date: 2025-10-24 11:06:24 +0300 (Fri, 24 Oct 2025) $
#$Revision: 302989 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/60/1576066.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_1576066
loop_
_publ_author_name
'Uchida, Daichi'
'Yamada, Hiroko'
'Mizuhata, Yoshiyuki'
_publ_section_title
;
 A neutral homoaromatic heavy allene as a platform for selective
 conversion to a germylene-coordinated digermavinylidene
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D5SC07177A
_journal_year                    2025
_chemical_formula_moiety         'C49 H100 Ge3 Si8'
_chemical_formula_sum            'C49 H100 Ge3 Si8'
_chemical_formula_weight         1131.77
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2025-09-04
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2025-09-04 deposited with the CCDC.	2025-10-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.920(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.202(3)
_cell_length_b                   9.5466(8)
_cell_length_c                   23.1505(17)
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.24
_cell_volume                     6478.9(10)
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.12'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0909
_diffrn_reflns_av_unetI/netI     0.0581
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            50202
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.524
_diffrn_reflns_theta_min         2.001
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1761 before and 0.0841 after correction.
The Ratio of minimum to maximum transmission is 0.7153.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.160
_exptl_crystal_description       plate
_exptl_crystal_F_000             2408
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: benzene'
_exptl_crystal_size_max          0.163
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.032
_refine_diff_density_max         0.915
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         7429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0644P)²+29.9657P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5622
_reflns_number_total             7429
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc07177a3.cif
_cod_data_source_block           Tbb2Ge3CH2
_cod_original_cell_volume        6478.8(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1576066
_shelx_shelxl_version_number     2019/3
_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_max   0.952
_shelx_estimated_absorpt_t_min   0.785
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(Ge1) = Uanis(Ge3)
3. Others
 Fixed Sof: C1(0.5) H1A(0.5) H1B(0.5) Ge1(0.5) Ge2(0.5) Ge3(0.5)
4.a Ternary CH refined with riding coordinates:
 C8(H8), C9(H9)
4.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6)
4.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,
 H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C),
 C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4934(3) 0.7872(15) 0.6886(4) 0.060(3) Uani 0.5 1 d . . P A -1
H1A H 0.491738 0.686594 0.677906 0.072 Uiso 0.5 1 calc R U P A -1
H1B H 0.491955 0.847560 0.653413 0.072 Uiso 0.5 1 calc R U P A -1
C2 C 0.39608(13) 0.7427(4) 0.72221(15) 0.0247(8) Uani 1 1 d . . . . .
C3 C 0.38357(13) 0.6463(4) 0.76205(15) 0.0247(7) Uani 1 1 d . . . . .
C4 C 0.34066(13) 0.5836(4) 0.74625(17) 0.0282(8) Uani 1 1 d . . . . .
H4 H 0.332357 0.519922 0.773390 0.034 Uiso 1 1 calc R U . . .
C5 C 0.30963(13) 0.6098(4) 0.69279(17) 0.0265(8) Uani 1 1 d . . . . .
C6 C 0.32263(13) 0.7055(4) 0.65465(17) 0.0268(8) Uani 1 1 d . . . . .
H6 H 0.301732 0.725988 0.617887 0.032 Uiso 1 1 calc R U . . .
C7 C 0.36462(13) 0.7723(4) 0.66768(15) 0.0242(7) Uani 1 1 d . . . . .
C8 C 0.41514(13) 0.6065(4) 0.82108(16) 0.0289(8) Uani 1 1 d . . . . .
H8 H 0.444215 0.656428 0.820913 0.035 Uiso 1 1 calc R U . . .
C9 C 0.37505(13) 0.8747(4) 0.62268(16) 0.0270(8) Uani 1 1 d . . . . .
H9 H 0.407063 0.905088 0.640809 0.032 Uiso 1 1 calc R U . . .
C10 C 0.48723(17) 0.3848(6) 0.8759(3) 0.0561(14) Uani 1 1 d . . . . .
H10A H 0.497594 0.289062 0.871435 0.084 Uiso 1 1 calc R U . . .
H10B H 0.483918 0.398259 0.916651 0.084 Uiso 1 1 calc R U . . .
H10C H 0.509652 0.451580 0.867865 0.084 Uiso 1 1 calc R U . . .
C11 C 0.43680(19) 0.3705(6) 0.7463(2) 0.0538(13) Uani 1 1 d . . . . .
H11A H 0.447735 0.273991 0.745683 0.081 Uiso 1 1 calc R U . . .
H11B H 0.458585 0.434650 0.734922 0.081 Uiso 1 1 calc R U . . .
H11C H 0.407011 0.379709 0.718111 0.081 Uiso 1 1 calc R U . . .
C12 C 0.38942(17) 0.2952(5) 0.8444(2) 0.0455(11) Uani 1 1 d . . . . .
H12A H 0.400255 0.198356 0.844800 0.068 Uiso 1 1 calc R U . . .
H12B H 0.359827 0.303728 0.815690 0.068 Uiso 1 1 calc R U . . .
H12C H 0.386124 0.320673 0.884117 0.068 Uiso 1 1 calc R U . . .
C13 C 0.44197(19) 0.6604(6) 0.9554(2) 0.0539(13) Uani 1 1 d . . . . .
H13A H 0.432122 0.700357 0.989307 0.081 Uiso 1 1 calc R U . . .
H13B H 0.470049 0.706822 0.951561 0.081 Uiso 1 1 calc R U . . .
H13C H 0.447657 0.559907 0.961977 0.081 Uiso 1 1 calc R U . . .
C14 C 0.3895(2) 0.8790(5) 0.8710(2) 0.0513(13) Uani 1 1 d . . . . .
H14A H 0.418183 0.918010 0.865524 0.077 Uiso 1 1 calc R U . . .
H14B H 0.381277 0.925272 0.904790 0.077 Uiso 1 1 calc R U . . .
H14C H 0.365274 0.894570 0.834901 0.077 Uiso 1 1 calc R U . . .
C15 C 0.34112(18) 0.6189(6) 0.8963(2) 0.0525(13) Uani 1 1 d . . . . .
H15A H 0.334668 0.660551 0.932039 0.079 Uiso 1 1 calc R U . . .
H15B H 0.342948 0.516779 0.900672 0.079 Uiso 1 1 calc R U . . .
H15C H 0.316657 0.643152 0.861526 0.079 Uiso 1 1 calc R U . . .
C16 C 0.3448(2) 1.0965(6) 0.6969(2) 0.0674(17) Uani 1 1 d . . . . .
H16A H 0.329823 1.187550 0.697058 0.101 Uiso 1 1 calc R U . . .
H16B H 0.376922 1.104147 0.718066 0.101 Uiso 1 1 calc R U . . .
H16C H 0.329659 1.026851 0.716684 0.101 Uiso 1 1 calc R U . . .
C17 C 0.3662(2) 1.1786(6) 0.5801(3) 0.076(2) Uani 1 1 d . . . . .
H17A H 0.350365 1.267723 0.581450 0.114 Uiso 1 1 calc R U . . .
H17B H 0.363084 1.151019 0.538504 0.114 Uiso 1 1 calc R U . . .
H17C H 0.398595 1.189551 0.599689 0.114 Uiso 1 1 calc R U . . .
C18 C 0.27933(16) 1.0227(5) 0.5820(3) 0.0564(14) Uani 1 1 d . . . . .
H18A H 0.263320 1.109843 0.586519 0.085 Uiso 1 1 calc R U . . .
H18B H 0.266289 0.945402 0.600341 0.085 Uiso 1 1 calc R U . . .
H18C H 0.275927 1.003100 0.539620 0.085 Uiso 1 1 calc R U . . .
C19 C 0.4024(3) 0.6074(8) 0.5699(3) 0.099(3) Uani 1 1 d . . . . .
H19A H 0.408700 0.564027 0.534358 0.148 Uiso 1 1 calc R U . . .
H19B H 0.380186 0.550367 0.584088 0.148 Uiso 1 1 calc R U . . .
H19C H 0.430737 0.613596 0.601125 0.148 Uiso 1 1 calc R U . . .
C20 C 0.3243(2) 0.7700(10) 0.4954(3) 0.101(3) Uani 1 1 d . . . . .
H20A H 0.313073 0.864157 0.482816 0.151 Uiso 1 1 calc R U . . .
H20B H 0.301970 0.721539 0.512830 0.151 Uiso 1 1 calc R U . . .
H20C H 0.328665 0.717211 0.460935 0.151 Uiso 1 1 calc R U . . .
C21 C 0.4213(3) 0.8815(9) 0.5195(3) 0.104(3) Uani 1 1 d . . . . .
H21A H 0.447491 0.908606 0.551507 0.156 Uiso 1 1 calc R U . . .
H21B H 0.406793 0.965655 0.499120 0.156 Uiso 1 1 calc R U . . .
H21C H 0.431695 0.821602 0.490951 0.156 Uiso 1 1 calc R U . . .
C22 C 0.26319(14) 0.5366(4) 0.67395(19) 0.0334(9) Uani 1 1 d . . . . .
C23 C 0.25573(16) 0.4323(6) 0.7207(2) 0.0526(13) Uani 1 1 d . . . . .
H23A H 0.226096 0.386268 0.706540 0.079 Uiso 1 1 calc R U . . .
H23B H 0.256313 0.481977 0.757938 0.079 Uiso 1 1 calc R U . . .
H23C H 0.279993 0.361682 0.727704 0.079 Uiso 1 1 calc R U . . .
C24 C 0.22536(15) 0.6462(5) 0.6634(2) 0.0428(11) Uani 1 1 d . . . . .
H24A H 0.195767 0.600113 0.648875 0.064 Uiso 1 1 calc R U . . .
H24B H 0.230187 0.713904 0.633657 0.064 Uiso 1 1 calc R U . . .
H24C H 0.225813 0.694964 0.700745 0.064 Uiso 1 1 calc R U . . .
C25 C 0.26061(16) 0.4556(5) 0.6156(2) 0.0448(11) Uani 1 1 d . . . . .
H25A H 0.231927 0.403029 0.604917 0.067 Uiso 1 1 calc R U . . .
H25B H 0.286360 0.390454 0.621093 0.067 Uiso 1 1 calc R U . . .
H25C H 0.261897 0.521891 0.583729 0.067 Uiso 1 1 calc R U . . .
Ge1 Ge 0.4520(4) 0.8451(7) 0.73959(17) 0.0240(4) Uani 0.5 1 d . . P A -1
Si1 Si 0.43125(4) 0.41444(13) 0.82246(5) 0.0334(3) Uani 1 1 d . . . . .
Si2 Si 0.39636(4) 0.68737(12) 0.88587(5) 0.0348(3) Uani 1 1 d . . . . .
Si3 Si 0.34072(4) 1.04137(12) 0.61904(5) 0.0317(3) Uani 1 1 d . . . . .
Si4 Si 0.37923(4) 0.78333(14) 0.55154(5) 0.0383(3) Uani 1 1 d . . . . .
Ge2 Ge 0.50357(3) 0.97536(12) 0.81538(5) 0.0516(3) Uani 0.5 1 d . . P A -1
Ge3 Ge 0.5429(4) 0.8360(7) 0.75926(17) 0.0240(4) Uani 0.5 1 d . . P A -1
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'
Si Si 0.0817 0.0704 '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
H1A C1 H1B 111.7 . . ?
Ge1 C1 H1A 114.6 . . ?
Ge1 C1 H1B 114.6 . . ?
Ge3 C1 H1A 114.6 . . ?
Ge3 C1 H1B 114.6 . . ?
Ge3 C1 Ge1 84.3(4) . . ?
C3 C2 Ge1 123.8(3) . . ?
C7 C2 C3 118.9(3) . . ?
C7 C2 Ge1 117.2(3) . . ?
C2 C3 C8 122.8(3) . . ?
C4 C3 C2 119.0(3) . . ?
C4 C3 C8 118.2(3) . . ?
C3 C4 H4 118.5 . . ?
C5 C4 C3 122.9(4) . . ?
C5 C4 H4 118.5 . . ?
C4 C5 C6 116.9(3) . . ?
C4 C5 C22 123.2(4) . . ?
C6 C5 C22 119.8(3) . . ?
C5 C6 H6 118.4 . . ?
C7 C6 C5 123.2(3) . . ?
C7 C6 H6 118.4 . . ?
C2 C7 C9 122.4(3) . . ?
C6 C7 C2 119.1(3) . . ?
C6 C7 C9 118.5(3) . . ?
C3 C8 H8 103.9 . . ?
C3 C8 Si1 111.2(3) . . ?
C3 C8 Si2 111.7(3) . . ?
Si1 C8 H8 103.9 . . ?
Si2 C8 H8 103.9 . . ?
Si2 C8 Si1 120.4(2) . . ?
C7 C9 H9 103.8 . . ?
C7 C9 Si3 111.8(3) . . ?
C7 C9 Si4 111.7(3) . . ?
Si3 C9 H9 103.8 . . ?
Si3 C9 Si4 119.9(2) . . ?
Si4 C9 H9 103.8 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C20 H20A 109.5 . . ?
Si4 C20 H20B 109.5 . . ?
Si4 C20 H20C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
C5 C22 C25 109.1(3) . . ?
C23 C22 C5 112.1(3) . . ?
C23 C22 C25 108.0(4) . . ?
C24 C22 C5 109.3(3) . . ?
C24 C22 C23 109.2(4) . . ?
C24 C22 C25 109.0(4) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C1 Ge1 Ge2 100.9(6) . . ?
C1 Ge1 Ge3 47.7(3) . . ?
C2 Ge1 C1 112.5(5) . . ?
C2 Ge1 Ge2 143.8(3) . . ?
C2 Ge1 Ge3 147.1(3) . . ?
Ge2 Ge1 Ge3 55.4(4) . . ?
C10 Si1 C8 110.3(2) . . ?
C11 Si1 C8 106.5(2) . . ?
C11 Si1 C10 108.8(3) . . ?
C11 Si1 C12 110.0(3) . . ?
C12 Si1 C8 114.1(2) . . ?
C12 Si1 C10 107.1(2) . . ?
C13 Si2 C8 109.1(2) . . ?
C14 Si2 C8 107.2(2) . . ?
C14 Si2 C13 108.7(3) . . ?
C15 Si2 C8 114.1(2) . . ?
C15 Si2 C13 109.8(3) . . ?
C15 Si2 C14 107.7(3) . . ?
C16 Si3 C9 106.8(2) . . ?
C16 Si3 C17 109.5(3) . . ?
C16 Si3 C18 107.5(3) . . ?
C17 Si3 C9 109.2(2) . . ?
C18 Si3 C9 114.6(2) . . ?
C18 Si3 C17 109.1(3) . . ?
C19 Si4 C9 108.8(2) . . ?
C19 Si4 C20 109.2(4) . . ?
C19 Si4 C21 107.1(4) . . ?
C20 Si4 C9 114.0(2) . . ?
C20 Si4 C21 109.7(4) . . ?
C21 Si4 C9 108.0(3) . . ?
Ge3 Ge2 Ge1 68.25(8) . . ?
C1 Ge3 Ge1 47.9(3) . . ?
C1 Ge3 Ge2 101.9(6) . . ?
Ge2 Ge3 Ge1 56.3(4) . . ?
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 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 Ge1 1.993(10) . ?
C1 Ge3 1.987(11) . ?
C2 C3 1.417(5) . ?
C2 C7 1.414(5) . ?
C2 Ge1 1.910(14) . ?
C3 C4 1.395(5) . ?
C3 C8 1.515(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(5) . ?
C5 C6 1.391(5) . ?
C5 C22 1.534(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.386(5) . ?
C7 C9 1.516(5) . ?
C8 H8 1.0000 . ?
C8 Si1 1.895(4) . ?
C8 Si2 1.891(4) . ?
C9 H9 1.0000 . ?
C9 Si3 1.890(4) . ?
C9 Si4 1.894(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 Si1 1.861(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 Si1 1.859(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 Si1 1.859(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 Si2 1.868(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 Si2 1.864(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 Si2 1.861(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 Si3 1.853(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 Si3 1.860(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18 Si3 1.855(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 Si4 1.830(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 Si4 1.849(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 Si4 1.871(7) . ?
C22 C23 1.527(6) . ?
C22 C24 1.525(6) . ?
C22 C25 1.542(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
Ge1 Ge2 2.394(11) . ?
Ge1 Ge3 2.6716(9) . ?
Ge2 Ge3 2.368(10) . ?
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
C2 C3 C4 C5 0.7(6) . . . . ?
C2 C3 C8 Si1 -115.3(3) . . . . ?
C2 C3 C8 Si2 107.1(4) . . . . ?
C2 C7 C9 Si3 -108.8(4) . . . . ?
C2 C7 C9 Si4 113.7(4) . . . . ?
C3 C2 C7 C6 -0.5(5) . . . . ?
C3 C2 C7 C9 179.6(3) . . . . ?
C3 C4 C5 C6 -1.1(6) . . . . ?
C3 C4 C5 C22 177.3(4) . . . . ?
C3 C8 Si1 C10 154.1(3) . . . . ?
C3 C8 Si1 C11 36.3(3) . . . . ?
C3 C8 Si1 C12 -85.3(3) . . . . ?
C3 C8 Si2 C13 -170.1(3) . . . . ?
C3 C8 Si2 C14 -52.5(3) . . . . ?
C3 C8 Si2 C15 66.7(3) . . . . ?
C4 C3 C8 Si1 63.7(4) . . . . ?
C4 C3 C8 Si2 -73.9(4) . . . . ?
C4 C5 C6 C7 0.7(6) . . . . ?
C4 C5 C22 C23 -0.2(6) . . . . ?
C4 C5 C22 C24 121.0(4) . . . . ?
C4 C5 C22 C25 -119.9(4) . . . . ?
C5 C6 C7 C2 0.1(6) . . . . ?
C5 C6 C7 C9 -180.0(4) . . . . ?
C6 C5 C22 C23 178.2(4) . . . . ?
C6 C5 C22 C24 -60.6(5) . . . . ?
C6 C5 C22 C25 58.5(5) . . . . ?
C6 C7 C9 Si3 71.2(4) . . . . ?
C6 C7 C9 Si4 -66.3(4) . . . . ?
C7 C2 C3 C4 0.1(5) . . . . ?
C7 C2 C3 C8 179.2(3) . . . . ?
C7 C9 Si3 C16 46.1(4) . . . . ?
C7 C9 Si3 C17 164.4(4) . . . . ?
C7 C9 Si3 C18 -72.9(3) . . . . ?
C7 C9 Si4 C19 -32.8(4) . . . . ?
C7 C9 Si4 C20 89.2(4) . . . . ?
C7 C9 Si4 C21 -148.7(4) . . . . ?
C8 C3 C4 C5 -178.4(4) . . . . ?
C22 C5 C6 C7 -177.8(4) . . . . ?
Ge1 C2 C3 C4 176.1(3) . . . . ?
Ge1 C2 C3 C8 -4.8(5) . . . . ?
Ge1 C2 C7 C6 -176.8(3) . . . . ?
Ge1 C2 C7 C9 3.3(5) . . . . ?
Si1 C8 Si2 C13 56.7(3) . . . . ?
Si1 C8 Si2 C14 174.3(3) . . . . ?
Si1 C8 Si2 C15 -66.5(3) . . . . ?
Si2 C8 Si1 C10 -72.5(3) . . . . ?
Si2 C8 Si1 C11 169.7(3) . . . . ?
Si2 C8 Si1 C12 48.1(3) . . . . ?
Si3 C9 Si4 C19 -166.4(4) . . . . ?
Si3 C9 Si4 C20 -44.4(4) . . . . ?
Si3 C9 Si4 C21 77.7(4) . . . . ?
Si4 C9 Si3 C16 179.6(3) . . . . ?
Si4 C9 Si3 C17 -62.1(4) . . . . ?
Si4 C9 Si3 C18 60.7(3) . . . . ?
