#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:11:46 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230073 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/49/7044992.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_7044992
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 Br2 Ge2'
_chemical_formula_sum            'C56 H90 Br2 Ge2'
_chemical_formula_weight         1068.32
_chemical_melting_point          424.0(10)
_chemical_name_common            (Eind)BrGe=GeBe(Eind)
_chemical_name_systematic        dibromodigermene
_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_update_record
;
2017-04-06 deposited with the CCDC.
2017-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                97.1732(10)
_cell_angle_beta                 93.3651(10)
_cell_angle_gamma                97.2483(11)
_cell_formula_units_Z            1
_cell_length_a                   10.43530(14)
_cell_length_b                   10.52080(14)
_cell_length_c                   12.12440(14)
_cell_measurement_reflns_used    35324
_cell_measurement_temperature    100
_cell_measurement_theta_max      32.79
_cell_measurement_theta_min      2.76
_cell_volume                     1306.38(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.3b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.3b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.3b (Rigaku OD, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.2.1'
_computing_publication_material  'CrystalStructure 4.2.1 (Rigaku, 2016)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 5.811
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_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       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            79445
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_min         3.037
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.718
_exptl_absorpt_correction_T_max  0.854
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.3b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             560.00
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: THF'
_exptl_crystal_size_max          0.112
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.058
_refine_diff_density_max         0.95
_refine_diff_density_min         -0.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     279
_refine_ls_number_reflns         7611
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0290P)²+1.1579P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0616
_refine_ls_wR_factor_ref         0.0631
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6867
_reflns_number_total             7611
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c7dt03819d3.cif
_cod_data_source_block           Eind2Ge2Br2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '423-425' was changed to '424.0(10)'
- 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               7044992
_shelxl_version_number           2013-4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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
Br1 Br 0.25189(2) 1.06428(2) 1.12346(2) 0.01765(4) Uani 1 1 d . .
Ge1 Ge 0.09733(2) 0.95181(2) 0.98341(2) 0.01022(4) Uani 1 1 d . .
C1 C 0.18209(12) 0.93932(12) 0.84102(11) 0.0087(2) Uani 1 1 d . .
C2 C 0.20618(13) 1.03636(12) 0.77064(11) 0.0086(2) Uani 1 1 d . .
C3 C 0.16401(13) 1.17164(12) 0.77809(11) 0.0091(2) Uani 1 1 d . .
C4 C 0.23637(13) 1.23206(13) 0.68438(11) 0.0109(2) Uani 1 1 d . .
H4A H 0.1783 1.2804 0.6432 0.013 Uiso 1 1 calc R U
H4B H 0.3131 1.2930 0.7174 0.013 Uiso 1 1 calc R U
C5 C 0.27920(13) 1.12166(13) 0.60391(11) 0.0095(2) Uani 1 1 d . .
C6 C 0.26940(13) 1.01070(12) 0.67322(11) 0.0091(2) Uani 1 1 d . .
C7 C 0.31202(13) 0.89192(13) 0.64392(11) 0.0101(2) Uani 1 1 d . .
H7 H 0.3563 0.8765 0.5783 0.012 Uiso 1 1 calc R U
C8 C 0.28873(13) 0.79607(12) 0.71228(11) 0.0090(2) Uani 1 1 d . .
C9 C 0.33722(13) 0.66550(12) 0.69745(11) 0.0093(2) Uani 1 1 d . .
C10 C 0.26189(13) 0.59410(13) 0.78274(11) 0.0105(2) Uani 1 1 d . .
H10A H 0.3195 0.5437 0.8220 0.013 Uiso 1 1 calc R U
H10B H 0.1882 0.5335 0.7437 0.013 Uiso 1 1 calc R U
C11 C 0.21088(13) 0.69579(12) 0.86854(11) 0.0089(2) Uani 1 1 d . .
C12 C 0.22262(12) 0.81717(12) 0.80870(11) 0.0086(2) Uani 1 1 d . .
C13 C 0.01539(13) 1.15398(13) 0.74948(12) 0.0120(2) Uani 1 1 d . .
H13A H -0.0032 1.1059 0.6735 0.014 Uiso 1 1 calc R U
H13B H -0.0264 1.0994 0.8017 0.014 Uiso 1 1 calc R U
C14 C -0.04832(15) 1.27753(15) 0.75394(14) 0.0194(3) Uani 1 1 d . .
H14A H -0.1405 1.2554 0.7293 0.023 Uiso 1 1 calc R U
H14B H -0.0062 1.3344 0.7048 0.023 Uiso 1 1 calc R U
H14C H -0.0391 1.3220 0.8306 0.023 Uiso 1 1 calc R U
C15 C 0.20156(13) 1.25516(13) 0.89219(11) 0.0113(2) Uani 1 1 d . .
H15A H 0.1769 1.3423 0.8880 0.014 Uiso 1 1 calc R U
H15B H 0.1505 1.2165 0.9489 0.014 Uiso 1 1 calc R U
C16 C 0.34547(14) 1.26955(14) 0.93130(12) 0.0153(3) Uani 1 1 d . .
H16A H 0.3746 1.1841 0.9247 0.018 Uiso 1 1 calc R U
H16B H 0.3582 1.3095 1.0093 0.018 Uiso 1 1 calc R U
H16C H 0.3957 1.3242 0.8850 0.018 Uiso 1 1 calc R U
C17 C 0.18455(14) 1.08095(14) 0.49859(12) 0.0137(3) Uani 1 1 d . .
H17A H 0.2147 1.0068 0.4536 0.016 Uiso 1 1 calc R U
H17B H 0.0984 1.0501 0.5227 0.016 Uiso 1 1 calc R U
C18 C 0.16793(18) 1.18467(17) 0.42317(14) 0.0233(3) Uani 1 1 d . .
H18A H 0.2518 1.2146 0.3964 0.028 Uiso 1 1 calc R U
H18B H 0.1347 1.2576 0.4653 0.028 Uiso 1 1 calc R U
H18C H 0.1066 1.1483 0.3594 0.028 Uiso 1 1 calc R U
C19 C 0.41722(14) 1.15718(14) 0.56734(12) 0.0130(2) Uani 1 1 d . .
H19A H 0.4333 1.0897 0.5071 0.016 Uiso 1 1 calc R U
H19B H 0.4203 1.2396 0.5355 0.016 Uiso 1 1 calc R U
C20 C 0.52712(15) 1.17161(16) 0.65878(13) 0.0192(3) Uani 1 1 d . .
H20A H 0.5292 1.0891 0.6880 0.023 Uiso 1 1 calc R U
H20B H 0.5129 1.2382 0.7192 0.023 Uiso 1 1 calc R U
H20C H 0.6098 1.1968 0.6279 0.023 Uiso 1 1 calc R U
C21 C 0.31213(14) 0.59486(14) 0.57702(12) 0.0139(3) Uani 1 1 d . .
H21A H 0.3706 0.6408 0.5291 0.017 Uiso 1 1 calc R U
H21B H 0.3361 0.5067 0.5764 0.017 Uiso 1 1 calc R U
C22 C 0.17359(17) 0.58338(17) 0.52495(14) 0.0224(3) Uani 1 1 d . .
H22A H 0.1469 0.6697 0.5276 0.027 Uiso 1 1 calc R U
H22B H 0.1154 0.5300 0.5666 0.027 Uiso 1 1 calc R U
H22C H 0.1696 0.5431 0.4472 0.027 Uiso 1 1 calc R U
C23 C 0.48531(13) 0.68920(14) 0.72959(12) 0.0138(3) Uani 1 1 d . .
H23A H 0.5261 0.7496 0.6814 0.017 Uiso 1 1 calc R U
H23B H 0.4999 0.7327 0.8074 0.017 Uiso 1 1 calc R U
C24 C 0.55485(16) 0.56917(17) 0.72042(16) 0.0229(3) Uani 1 1 d . .
H24A H 0.5513 0.5312 0.6421 0.028 Uiso 1 1 calc R U
H24B H 0.5123 0.5058 0.7639 0.028 Uiso 1 1 calc R U
H24C H 0.6455 0.5936 0.7493 0.028 Uiso 1 1 calc R U
C25 C 0.07086(13) 0.64479(13) 0.89328(12) 0.0125(2) Uani 1 1 d . .
H25A H 0.0692 0.5547 0.9094 0.015 Uiso 1 1 calc R U
H25B H 0.0489 0.6971 0.9615 0.015 Uiso 1 1 calc R U
C26 C -0.03412(14) 0.64700(15) 0.80084(14) 0.0184(3) Uani 1 1 d . .
H26A H -0.0088 0.6046 0.7303 0.022 Uiso 1 1 calc R U
H26B H -0.0450 0.7368 0.7933 0.022 Uiso 1 1 calc R U
H26C H -0.1160 0.6011 0.8194 0.022 Uiso 1 1 calc R U
C27 C 0.29769(14) 0.72422(13) 0.97927(12) 0.0128(2) Uani 1 1 d . .
H27A H 0.3867 0.7566 0.9623 0.015 Uiso 1 1 calc R U
H27B H 0.2656 0.7946 1.0276 0.015 Uiso 1 1 calc R U
C28 C 0.30454(16) 0.61012(15) 1.04504(13) 0.0181(3) Uani 1 1 d . .
H28A H 0.3450 0.5432 1.0016 0.022 Uiso 1 1 calc R U
H28B H 0.2168 0.5745 1.0599 0.022 Uiso 1 1 calc R U
H28C H 0.3562 0.6395 1.1158 0.022 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Br Br -0.2901 2.4595
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ge Ge 0.1547 1.8001
;
International Tables for Crystallography
(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 Br1 107.48(4) .
C1 Ge1 Ge1 125.38(4) 2_577
Br1 Ge1 Ge1 104.276(9) 2_577
C2 C1 C12 118.00(11) .
C2 C1 Ge1 127.90(10) .
C12 C1 Ge1 114.10(9) .
C6 C2 C1 120.04(12) .
C6 C2 C3 110.01(11) .
C1 C2 C3 129.79(12) .
C2 C3 C15 113.86(11) .
C2 C3 C13 107.53(11) .
C15 C3 C13 111.17(11) .
C2 C3 C4 102.83(10) .
C15 C3 C4 110.77(11) .
C13 C3 C4 110.34(11) .
C5 C4 C3 108.57(10) .
C5 C4 H4A 110.0 .
C3 C4 H4A 110.0 .
C5 C4 H4B 110.0 .
C3 C4 H4B 110.0 .
H4A C4 H4B 108.4 .
C6 C5 C19 112.99(11) .
C6 C5 C17 107.92(11) .
C19 C5 C17 108.86(11) .
C6 C5 C4 102.10(10) .
C19 C5 C4 112.27(11) .
C17 C5 C4 112.57(11) .
C7 C6 C2 121.52(12) .
C7 C6 C5 125.29(12) .
C2 C6 C5 113.13(11) .
C8 C7 C6 118.88(12) .
C8 C7 H7 120.6 .
C6 C7 H7 120.6 .
C7 C8 C12 121.12(12) .
C7 C8 C9 125.61(12) .
C12 C8 C9 113.14(11) .
C8 C9 C21 113.29(11) .
C8 C9 C10 101.85(10) .
C21 C9 C10 113.08(11) .
C8 C9 C23 107.26(11) .
C21 C9 C23 109.12(11) .
C10 C9 C23 112.01(11) .
C9 C10 C11 108.98(10) .
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 C27 109.31(11) .
C12 C11 C25 114.71(11) .
C27 C11 C25 109.11(11) .
C12 C11 C10 102.39(10) .
C27 C11 C10 111.84(11) .
C25 C11 C10 109.40(11) .
C8 C12 C1 120.38(12) .
C8 C12 C11 110.22(11) .
C1 C12 C11 129.34(11) .
C14 C13 C3 116.49(12) .
C14 C13 H13A 108.2 .
C3 C13 H13A 108.2 .
C14 C13 H13B 108.2 .
C3 C13 H13B 108.2 .
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 114.82(11) .
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 116.54(12) .
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 115.81(12) .
C20 C19 H19A 108.3 .
C5 C19 H19A 108.3 .
C20 C19 H19B 108.3 .
C5 C19 H19B 108.3 .
H19A C19 H19B 107.4 .
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 116.04(12) .
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 116.11(12) .
C24 C23 H23A 108.3 .
C9 C23 H23A 108.3 .
C24 C23 H23B 108.3 .
C9 C23 H23B 108.3 .
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 115.79(12) .
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 115.89(12) .
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
Br1 Ge1 2.3622(2) .
Ge1 C1 1.9830(13) .
Ge1 Ge1 2.4145(3) 2_577
C1 C2 1.4183(17) .
C1 C12 1.4195(18) .
C2 C6 1.4001(18) .
C2 C3 1.5356(18) .
C3 C15 1.5444(19) .
C3 C13 1.5518(19) .
C3 C4 1.5572(18) .
C4 C5 1.5492(18) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.5180(18) .
C5 C19 1.5463(19) .
C5 C17 1.549(2) .
C6 C7 1.3906(18) .
C7 C8 1.3905(18) .
C7 H7 0.9500 .
C8 C12 1.4002(18) .
C8 C9 1.5165(18) .
C9 C21 1.5453(19) .
C9 C10 1.5466(18) .
C9 C23 1.5524(19) .
C10 C11 1.5624(18) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.5408(18) .
C11 C27 1.5496(19) .
C11 C25 1.5513(19) .
C13 C14 1.530(2) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.531(2) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.528(2) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.527(2) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.527(2) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.529(2) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.525(2) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28 1.528(2) .
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 -0.64(19)
Ge1 C1 C2 C6 179.07(10)
C12 C1 C2 C3 174.18(13)
Ge1 C1 C2 C3 -6.1(2)
C6 C2 C3 C15 -131.18(12)
C1 C2 C3 C15 53.59(18)
C6 C2 C3 C13 105.18(12)
C1 C2 C3 C13 -70.04(17)
C6 C2 C3 C4 -11.29(14)
C1 C2 C3 C4 173.49(13)
C2 C3 C4 C5 17.94(14)
C15 C3 C4 C5 139.95(11)
C13 C3 C4 C5 -96.51(13)
C3 C4 C5 C6 -17.58(13)
C3 C4 C5 C19 -138.86(11)
C3 C4 C5 C17 97.88(13)
C1 C2 C6 C7 -1.2(2)
C3 C2 C6 C7 -176.96(12)
C1 C2 C6 C5 176.11(12)
C3 C2 C6 C5 0.35(16)
C19 C5 C6 C7 -51.25(18)
C17 C5 C6 C7 69.16(17)
C4 C5 C6 C7 -172.03(13)
C19 C5 C6 C2 131.56(12)
C17 C5 C6 C2 -108.03(13)
C4 C5 C6 C2 10.78(15)
C2 C6 C7 C8 1.3(2)
C5 C6 C7 C8 -175.71(12)
C6 C7 C8 C12 0.5(2)
C6 C7 C8 C9 -175.08(13)
C7 C8 C9 C21 -48.52(18)
C12 C8 C9 C21 135.56(12)
C7 C8 C9 C10 -170.27(13)
C12 C8 C9 C10 13.81(15)
C7 C8 C9 C23 71.95(16)
C12 C8 C9 C23 -103.97(13)
C8 C9 C10 C11 -18.55(13)
C21 C9 C10 C11 -140.45(11)
C23 C9 C10 C11 95.76(13)
C9 C10 C11 C12 16.76(13)
C9 C10 C11 C27 -100.16(13)
C9 C10 C11 C25 138.83(11)
C7 C8 C12 C1 -2.4(2)
C9 C8 C12 C1 173.74(12)
C7 C8 C12 C11 -179.78(12)
C9 C8 C12 C11 -3.65(15)
C2 C1 C12 C8 2.40(19)
Ge1 C1 C12 C8 -177.35(10)
C2 C1 C12 C11 179.23(12)
Ge1 C1 C12 C11 -0.53(18)
C27 C11 C12 C8 110.57(12)
C25 C11 C12 C8 -126.54(12)
C10 C11 C12 C8 -8.15(14)
C27 C11 C12 C1 -66.52(17)
C25 C11 C12 C1 56.38(18)
C10 C11 C12 C1 174.76(13)
C2 C3 C13 C14 178.91(12)
C15 C3 C13 C14 53.65(16)
C4 C3 C13 C14 -69.66(15)
C2 C3 C15 C16 54.09(15)
C13 C3 C15 C16 175.73(11)
C4 C3 C15 C16 -61.22(15)
C6 C5 C17 C18 173.46(13)
C19 C5 C17 C18 -63.58(16)
C4 C5 C17 C18 61.57(16)
C6 C5 C19 C20 -47.50(16)
C17 C5 C19 C20 -167.37(12)
C4 C5 C19 C20 67.31(15)
C8 C9 C21 C22 -50.94(17)
C10 C9 C21 C22 64.29(16)
C23 C9 C21 C22 -170.35(12)
C8 C9 C23 C24 -179.89(13)
C21 C9 C23 C24 -56.81(16)
C10 C9 C23 C24 69.17(16)
C12 C11 C25 C26 40.84(16)
C27 C11 C25 C26 163.84(12)
C10 C11 C25 C26 -73.51(15)
C12 C11 C27 C28 -175.80(12)
C25 C11 C27 C28 58.04(16)
C10 C11 C27 C28 -63.14(16)
