#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:11:46 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230073 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/49/7044995.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_7044995
loop_
_publ_author_name
'Hayakawa, Naoki'
'Sugahara, Tomohiro'
'Numata, Yasuyuki'
'Kawaai, Hotaka'
'Yamatani, Kenta'
'Nishimura, Shogo'
'Goda, Shun'
'Suzuki, Yuko'
'Tanikawa, Tomoharu'
'Nakai, Hidetaka'
'Hashizume, Daisuke'
'Sasamori, Takahiro'
'Tokitoh, Norihiro'
'Matsuo, Tsukasa'
_publ_section_title
;
 1,2-Dihalodigermenes bearing bulky Eind groups: synthesis,
 characterization, and conversion to halogermylenoids.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              814
_journal_page_last               822
_journal_paper_doi               10.1039/c7dt03819d
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C56 H90 Cl2 Ge2'
_chemical_formula_sum            'C56 H90 Cl2 Ge2'
_chemical_formula_weight         979.35
_chemical_melting_point          405(2)
_chemical_name_common            (Eind)ClGe=GeCl(Eind)
_chemical_name_systematic        dichlorodigermene
_chemical_properties_physical
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-04-06 deposited with the CCDC.
2017-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                97.829(2)
_cell_angle_beta                 93.325(2)
_cell_angle_gamma                97.830(2)
_cell_formula_units_Z            1
_cell_length_a                   10.4792(3)
_cell_length_b                   10.5003(2)
_cell_length_c                   12.0496(3)
_cell_measurement_reflns_used    12419
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.5060
_cell_measurement_theta_min      3.6940
_cell_volume                     1297.30(6)
_computing_cell_refinement       CrysAlisPro
_computing_data_collection       CrysAlisPro
_computing_data_reduction        CrysAlisPro
_computing_molecular_graphics    SHELXLE
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SIR2011
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 5.811
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30745
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_min         3.657
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.296
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94529
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_description       Plate
_exptl_crystal_F_000             524
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: THF'
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_min          0.063
_refine_diff_density_max         0.953
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         7495
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0428
_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)+(0.0275P)²+1.6289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0980
_refine_ls_wR_factor_ref         0.1003
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6614
_reflns_number_total             7495
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt03819d3.cif
_cod_data_source_block           Eind2Ge2Cl2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '403-407' was changed to '405(2)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7044992--7044997.cif.
;
_cod_database_code               7044995
_shelx_shelxl_version_number     2014/7
_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   0.805
_shelx_estimated_absorpt_t_max   0.923
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_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 0.09781(2) 0.95376(2) 0.98449(2) 0.01265(7) Uani 0.9390(6) 1 d . . P A 1
Cl1 Cl 0.24071(17) 1.06844(12) 1.11530(12) 0.0190(2) Uani 0.9390(6) 1 d . U P A
1
Ge1B Ge 0.1048(3) 1.0387(3) 0.9768(3) 0.01265(7) Uani 0.0610(6) 1 d . . P A 2
Cl1B Cl 0.234(3) 1.042(2) 1.131(2) 0.026(4) Uani 0.0610(6) 1 d . U P A 2
C1 C 0.18299(19) 0.94154(19) 0.84192(17) 0.0122(4) Uani 1 1 d . . . . .
C2 C 0.20652(19) 1.03733(18) 0.77065(17) 0.0124(4) Uani 1 1 d . . . . .
C3 C 0.16453(19) 1.17281(18) 0.77781(17) 0.0128(4) Uani 1 1 d . . . . .
C4 C 0.2369(2) 1.23280(19) 0.68386(17) 0.0146(4) Uani 1 1 d . . . . .
H4A H 0.1792 1.2800 0.6421 0.017 Uiso 1 1 calc R U . . .
H4B H 0.3133 1.2951 0.7175 0.017 Uiso 1 1 calc R U . . .
C5 C 0.28008(19) 1.12186(18) 0.60298(17) 0.0129(4) Uani 1 1 d . . . . .
C6 C 0.27013(19) 1.01168(18) 0.67280(17) 0.0127(4) Uani 1 1 d . . . . .
C7 C 0.31327(19) 0.89270(19) 0.64432(17) 0.0140(4) Uani 1 1 d . . . . .
H7 H 0.3579 0.8767 0.5786 0.017 Uiso 1 1 calc R U . . .
C8 C 0.29028(19) 0.79788(19) 0.71326(17) 0.0130(4) Uani 1 1 d . . . . .
C9 C 0.33933(19) 0.66759(19) 0.69927(17) 0.0134(4) Uani 1 1 d . . . . .
C10 C 0.2637(2) 0.59646(19) 0.78502(17) 0.0142(4) Uani 1 1 d . . . . .
H10A H 0.3213 0.5478 0.8254 0.017 Uiso 1 1 calc R U . . .
H10B H 0.1908 0.5338 0.7454 0.017 Uiso 1 1 calc R U . . .
C11 C 0.21164(19) 0.69896(19) 0.87028(17) 0.0129(4) Uani 1 1 d . . . . .
C12 C 0.22379(19) 0.81902(18) 0.80988(17) 0.0128(4) Uani 1 1 d . . . . .
C13 C 0.0166(2) 1.1537(2) 0.74820(18) 0.0153(4) Uani 1 1 d . . . . .
H13A H -0.0016 1.1039 0.6717 0.018 Uiso 1 1 calc R U . . .
H13B H -0.0254 1.0996 0.8008 0.018 Uiso 1 1 calc R U . . .
C14 C -0.0467(2) 1.2763(2) 0.7516(2) 0.0235(5) Uani 1 1 d . . . . .
H14A H -0.0039 1.3331 0.7025 0.028 Uiso 1 1 calc R U . . .
H14B H -0.0385 1.3220 0.8288 0.028 Uiso 1 1 calc R U . . .
H14C H -0.1383 1.2527 0.7258 0.028 Uiso 1 1 calc R U . . .
C15 C 0.2014(2) 1.25795(19) 0.89313(18) 0.0151(4) Uani 1 1 d . . . . .
H15A H 0.1782 1.3455 0.8886 0.018 Uiso 1 1 calc R U . . .
H15B H 0.1491 1.2200 0.9496 0.018 Uiso 1 1 calc R U . . .
C16 C 0.3442(2) 1.2725(2) 0.93423(19) 0.0180(4) Uani 1 1 d . . . . .
H16A H 0.3717 1.1865 0.9290 0.022 Uiso 1 1 calc R U . . .
H16B H 0.3564 1.3147 1.0126 0.022 Uiso 1 1 calc R U . . .
H16C H 0.3959 1.3257 0.8875 0.022 Uiso 1 1 calc R U . . .
C17 C 0.1856(2) 1.0787(2) 0.49623(18) 0.0165(4) Uani 1 1 d . . . . .
H17A H 0.2151 1.0035 0.4514 0.020 Uiso 1 1 calc R U . . .
H17B H 0.0994 1.0482 0.5203 0.020 Uiso 1 1 calc R U . . .
C18 C 0.1705(3) 1.1810(2) 0.4198(2) 0.0263(5) Uani 1 1 d . . . . .
H18A H 0.2549 1.2123 0.3948 0.032 Uiso 1 1 calc R U . . .
H18B H 0.1356 1.2538 0.4611 0.032 Uiso 1 1 calc R U . . .
H18C H 0.1112 1.1425 0.3542 0.032 Uiso 1 1 calc R U . . .
C19 C 0.4176(2) 1.1578(2) 0.56632(19) 0.0170(4) Uani 1 1 d . . . . .
H19A H 0.4336 1.0891 0.5060 0.020 Uiso 1 1 calc R U . . .
H19B H 0.4209 1.2397 0.5338 0.020 Uiso 1 1 calc R U . . .
C20 C 0.5269(2) 1.1749(2) 0.6593(2) 0.0230(5) Uani 1 1 d . . . . .
H20A H 0.6093 1.2027 0.6291 0.028 Uiso 1 1 calc R U . . .
H20B H 0.5302 1.0921 0.6876 0.028 Uiso 1 1 calc R U . . .
H20C H 0.5112 1.2408 0.7208 0.028 Uiso 1 1 calc R U . . .
C21 C 0.3148(2) 0.5944(2) 0.57782(18) 0.0176(4) Uani 1 1 d . . . . .
H21A H 0.3731 0.6403 0.5296 0.021 Uiso 1 1 calc R U . . .
H21B H 0.3390 0.5064 0.5776 0.021 Uiso 1 1 calc R U . . .
C22 C 0.1771(2) 0.5802(2) 0.5251(2) 0.0266(5) Uani 1 1 d . . . . .
H22A H 0.1724 0.5350 0.4479 0.032 Uiso 1 1 calc R U . . .
H22B H 0.1516 0.6665 0.5243 0.032 Uiso 1 1 calc R U . . .
H22C H 0.1186 0.5300 0.5691 0.032 Uiso 1 1 calc R U . . .
C23 C 0.4865(2) 0.6941(2) 0.73270(19) 0.0175(4) Uani 1 1 d . . . . .
H23A H 0.5273 0.7543 0.6842 0.021 Uiso 1 1 calc R U . . .
H23B H 0.5003 0.7392 0.8111 0.021 Uiso 1 1 calc R U . . .
C24 C 0.5565(2) 0.5752(2) 0.7245(2) 0.0265(5) Uani 1 1 d . . . . .
H24A H 0.5523 0.5348 0.6459 0.032 Uiso 1 1 calc R U . . .
H24B H 0.5150 0.5125 0.7694 0.032 Uiso 1 1 calc R U . . .
H24C H 0.6470 0.6018 0.7531 0.032 Uiso 1 1 calc R U . . .
C25 C 0.0720(2) 0.6460(2) 0.89358(19) 0.0169(4) Uani 1 1 d . . . . .
H25A H 0.0703 0.5555 0.9090 0.020 Uiso 1 1 calc R U . . .
H25B H 0.0495 0.6981 0.9626 0.020 Uiso 1 1 calc R U . . .
C26 C -0.0316(2) 0.6467(2) 0.8004(2) 0.0224(5) Uani 1 1 d . . . . .
H26A H -0.1137 0.6006 0.8186 0.027 Uiso 1 1 calc R U . . .
H26B H -0.0063 0.6035 0.7294 0.027 Uiso 1 1 calc R U . . .
H26C H -0.0417 0.7367 0.7929 0.027 Uiso 1 1 calc R U . . .
C27 C 0.2978(2) 0.7297(2) 0.98285(18) 0.0157(4) Uani 1 1 d . . . . .
H27A H 0.3868 0.7622 0.9665 0.019 Uiso 1 1 calc R U . . .
H27B H 0.2659 0.8008 1.0312 0.019 Uiso 1 1 calc R U . . .
C28 C 0.3030(2) 0.6163(2) 1.0491(2) 0.0219(5) Uani 1 1 d . . . . .
H28A H 0.3472 0.5507 1.0075 0.026 Uiso 1 1 calc R U . . .
H28B H 0.2150 0.5776 1.0601 0.026 Uiso 1 1 calc R U . . .
H28C H 0.3504 0.6478 1.1224 0.026 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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_3
C1 Ge1 Cl1 106.85(7) .
C1 Ge1 Ge1 125.05(6) 2_577
Cl1 Ge1 Ge1 103.96(5) 2_577
C1 Ge1B Cl1B 108.5(7) .
C1 Ge1B Ge1B 119.8(2) 2_577
Cl1B Ge1B Ge1B 105.5(7) 2_577
C2 C1 C12 117.97(17) .
C2 C1 Ge1 128.38(14) .
C12 C1 Ge1 113.66(14) .
C2 C1 Ge1B 103.03(16) .
C12 C1 Ge1B 138.80(18) .
C6 C2 C1 120.44(17) .
C6 C2 C3 109.68(17) .
C1 C2 C3 129.76(17) .
C2 C3 C15 113.69(17) .
C2 C3 C13 107.68(16) .
C15 C3 C13 111.07(16) .
C2 C3 C4 102.91(15) .
C15 C3 C4 110.98(16) .
C13 C3 C4 110.18(17) .
C5 C4 C3 108.67(15) .
C5 C4 H4A 110.0 .
C3 C4 H4A 110.0 .
C5 C4 H4B 110.0 .
C3 C4 H4B 110.0 .
H4A C4 H4B 108.3 .
C6 C5 C19 112.91(17) .
C6 C5 C4 101.98(16) .
C19 C5 C4 112.67(16) .
C6 C5 C17 108.01(16) .
C19 C5 C17 108.69(16) .
C4 C5 C17 112.44(17) .
C7 C6 C2 120.98(18) .
C7 C6 C5 125.57(18) .
C2 C6 C5 113.40(17) .
C8 C7 C6 119.09(18) .
C8 C7 H7 120.5 .
C6 C7 H7 120.5 .
C7 C8 C12 121.37(18) .
C7 C8 C9 125.70(18) .
C12 C8 C9 112.81(17) .
C8 C9 C21 113.16(18) .
C8 C9 C10 101.84(15) .
C21 C9 C10 113.00(16) .
C8 C9 C23 107.24(16) .
C21 C9 C23 109.33(17) .
C10 C9 C23 112.00(18) .
C9 C10 C11 108.93(15) .
C9 C10 H10A 109.9 .
C11 C10 H10A 109.9 .
C9 C10 H10B 109.9 .
C11 C10 H10B 109.9 .
H10A C10 H10B 108.3 .
C12 C11 C25 114.85(17) .
C12 C11 C27 109.59(16) .
C25 C11 C27 109.29(17) .
C12 C11 C10 102.41(16) .
C25 C11 C10 109.19(16) .
C27 C11 C10 111.38(16) .
C8 C12 C1 120.09(18) .
C8 C12 C11 110.64(16) .
C1 C12 C11 129.21(18) .
C14 C13 C3 116.75(17) .
C14 C13 H13A 108.1 .
C3 C13 H13A 108.1 .
C14 C13 H13B 108.1 .
C3 C13 H13B 108.1 .
H13A C13 H13B 107.3 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C16 C15 C3 114.84(17) .
C16 C15 H15A 108.6 .
C3 C15 H15A 108.6 .
C16 C15 H15B 108.6 .
C3 C15 H15B 108.6 .
H15A C15 H15B 107.5 .
C15 C16 H16A 109.5 .
C15 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
C15 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C18 C17 C5 116.53(18) .
C18 C17 H17A 108.2 .
C5 C17 H17A 108.2 .
C18 C17 H17B 108.2 .
C5 C17 H17B 108.2 .
H17A C17 H17B 107.3 .
C17 C18 H18A 109.5 .
C17 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C17 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C20 C19 C5 115.54(18) .
C20 C19 H19A 108.4 .
C5 C19 H19A 108.4 .
C20 C19 H19B 108.4 .
C5 C19 H19B 108.4 .
H19A C19 H19B 107.5 .
C19 C20 H20A 109.5 .
C19 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
C19 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
C22 C21 C9 115.92(18) .
C22 C21 H21A 108.3 .
C9 C21 H21A 108.3 .
C22 C21 H21B 108.3 .
C9 C21 H21B 108.3 .
H21A C21 H21B 107.4 .
C21 C22 H22A 109.5 .
C21 C22 H22B 109.5 .
H22A C22 H22B 109.5 .
C21 C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
C24 C23 C9 116.16(18) .
C24 C23 H23A 108.2 .
C9 C23 H23A 108.2 .
C24 C23 H23B 108.2 .
C9 C23 H23B 108.2 .
H23A C23 H23B 107.4 .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C26 C25 C11 115.86(18) .
C26 C25 H25A 108.3 .
C11 C25 H25A 108.3 .
C26 C25 H25B 108.3 .
C11 C25 H25B 108.3 .
H25A C25 H25B 107.4 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C28 C27 C11 115.78(17) .
C28 C27 H27A 108.3 .
C11 C27 H27A 108.3 .
C28 C27 H27B 108.3 .
C11 C27 H27B 108.3 .
H27A C27 H27B 107.4 .
C27 C28 H28A 109.5 .
C27 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
C27 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C1 1.9783(19) .
Ge1 Cl1 2.2124(15) .
Ge1 Ge1 2.4119(5) 2_577
Ge1B C1 2.070(4) .
Ge1B Cl1B 2.23(3) .
Ge1B Ge1B 2.363(7) 2_577
C1 C2 1.415(3) .
C1 C12 1.421(3) .
C2 C6 1.400(3) .
C2 C3 1.538(3) .
C3 C15 1.544(3) .
C3 C13 1.549(3) .
C3 C4 1.555(3) .
C4 C5 1.548(3) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.516(3) .
C5 C19 1.544(3) .
C5 C17 1.553(3) .
C6 C7 1.392(3) .
C7 C8 1.387(3) .
C7 H7 0.9500 .
C8 C12 1.399(3) .
C8 C9 1.518(3) .
C9 C21 1.548(3) .
C9 C10 1.548(3) .
C9 C23 1.549(3) .
C10 C11 1.561(3) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.534(3) .
C11 C25 1.549(3) .
C11 C27 1.555(3) .
C13 C14 1.523(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.529(3) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.525(3) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.529(3) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.523(3) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.527(3) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.518(3) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28 1.526(3) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 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
C12 C1 C2 C6 -1.1(3)
Ge1 C1 C2 C6 179.21(15)
Ge1B C1 C2 C6 174.71(19)
C12 C1 C2 C3 174.51(19)
Ge1 C1 C2 C3 -5.2(3)
Ge1B C1 C2 C3 -9.7(3)
C6 C2 C3 C15 -131.23(18)
C1 C2 C3 C15 52.8(3)
C6 C2 C3 C13 105.27(19)
C1 C2 C3 C13 -70.7(3)
C6 C2 C3 C4 -11.1(2)
C1 C2 C3 C4 172.9(2)
C2 C3 C4 C5 17.9(2)
C15 C3 C4 C5 139.84(17)
C13 C3 C4 C5 -96.72(19)
C3 C4 C5 C6 -17.6(2)
C3 C4 C5 C19 -138.90(18)
C3 C4 C5 C17 97.85(19)
C1 C2 C6 C7 -1.0(3)
C3 C2 C6 C7 -177.38(18)
C1 C2 C6 C5 176.55(18)
C3 C2 C6 C5 0.2(2)
C19 C5 C6 C7 -50.6(3)
C4 C5 C6 C7 -171.71(19)
C17 C5 C6 C7 69.7(2)
C19 C5 C6 C2 132.04(18)
C4 C5 C6 C2 10.9(2)
C17 C5 C6 C2 -107.75(19)
C2 C6 C7 C8 1.2(3)
C5 C6 C7 C8 -175.97(19)
C6 C7 C8 C12 0.6(3)
C6 C7 C8 C9 -175.09(19)
C7 C8 C9 C21 -48.6(3)
C12 C8 C9 C21 135.42(19)
C7 C8 C9 C10 -170.2(2)
C12 C8 C9 C10 13.8(2)
C7 C8 C9 C23 72.1(3)
C12 C8 C9 C23 -103.9(2)
C8 C9 C10 C11 -18.4(2)
C21 C9 C10 C11 -140.10(18)
C23 C9 C10 C11 95.89(19)
C9 C10 C11 C12 16.5(2)
C9 C10 C11 C25 138.64(18)
C9 C10 C11 C27 -100.57(19)
C7 C8 C12 C1 -2.7(3)
C9 C8 C12 C1 173.52(18)
C7 C8 C12 C11 179.93(18)
C9 C8 C12 C11 -3.9(2)
C2 C1 C12 C8 2.9(3)
Ge1 C1 C12 C8 -177.38(15)
Ge1B C1 C12 C8 -170.9(2)
C2 C1 C12 C11 179.71(19)
Ge1 C1 C12 C11 -0.5(3)
Ge1B C1 C12 C11 6.0(4)
C25 C11 C12 C8 -126.09(19)
C27 C11 C12 C8 110.46(19)
C10 C11 C12 C8 -7.9(2)
C25 C11 C12 C1 56.8(3)
C27 C11 C12 C1 -66.6(3)
C10 C11 C12 C1 175.0(2)
C2 C3 C13 C14 179.17(18)
C15 C3 C13 C14 54.1(2)
C4 C3 C13 C14 -69.3(2)
C2 C3 C15 C16 53.3(2)
C13 C3 C15 C16 174.93(17)
C4 C3 C15 C16 -62.1(2)
C6 C5 C17 C18 174.07(19)
C19 C5 C17 C18 -63.1(2)
C4 C5 C17 C18 62.3(2)
C6 C5 C19 C20 -47.8(2)
C4 C5 C19 C20 67.1(2)
C17 C5 C19 C20 -167.64(18)
C8 C9 C21 C22 -50.9(2)
C10 C9 C21 C22 64.1(2)
C23 C9 C21 C22 -170.39(18)
C8 C9 C23 C24 -179.85(19)
C21 C9 C23 C24 -56.8(2)
C10 C9 C23 C24 69.2(2)
C12 C11 C25 C26 39.9(2)
C27 C11 C25 C26 163.49(18)
C10 C11 C25 C26 -74.4(2)
C12 C11 C27 C28 -176.02(17)
C25 C11 C27 C28 57.3(2)
C10 C11 C27 C28 -63.4(2)
