#------------------------------------------------------------------------------
#$Date: 2015-07-11 00:13:22 +0300 (Sat, 11 Jul 2015) $
#$Revision: 143486 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/52/7035215.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_7035215
loop_
_publ_author_name
'Tanimoto, Hiroki'
'Nagao, Tomohiko'
'Fujiwara, Taro'
'Nishiyama, Yasuhiro'
'Morimoto, Tsumoru'
'Suzuka, Toshimasa'
'Tsutsumi, Ken'
'Kakiuchi, Kiyomi'
_publ_section_title
;
 Stepwise synthesis and characterization of germa[4], [5], [8], and
 [10]pericyclynes.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11811
_journal_page_last               11818
_journal_paper_doi               10.1039/c5dt01411e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C140 H100 Ge10'
_chemical_formula_sum            'C140 H100 Ge10'
_chemical_formula_weight         2508.23
_chemical_name_systematic        PhGe10
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-05-12 deposited with the CCDC.
2015-05-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.4092(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.2535(4)
_cell_length_b                   8.91367(16)
_cell_length_c                   34.6372(6)
_cell_measurement_reflns_used    71486
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.02
_cell_volume                     6028.37(19)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            101212
_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         27.484
_diffrn_reflns_theta_min         3.026
_exptl_absorpt_coefficient_mu    2.549
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2604
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.648
_refine_diff_density_min         -0.404
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         13814
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0287
_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)+(0.0278P)²+3.2159P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0645
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11679
_reflns_number_total             13814
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01411e2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7035212--7035215.cif.'
_cod_original_cell_volume        6028.38(19)
_cod_database_code               7035215
_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   0.717
_shelx_estimated_absorpt_t_max   0.951
_shelxl_version_number           2014-3
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Ge1 Ge 1.08930(2) 0.71135(2) 0.10201(2) 0.02182(5) Uani 1 1 d . .
Ge2 Ge 1.05228(2) 0.45465(2) 0.22353(2) 0.02360(5) Uani 1 1 d . .
Ge3 Ge 0.84504(2) 0.12882(2) 0.17446(2) 0.02067(5) Uani 1 1 d . .
Ge4 Ge 0.68611(2) 0.42786(2) 0.06635(2) 0.02348(5) Uani 1 1 d . .
Ge5 Ge 0.69886(2) 0.49571(2) -0.07232(2) 0.02315(5) Uani 1 1 d . .
C1 C 1.17238(10) 0.6281(2) 0.09434(6) 0.0250(4) Uani 1 1 d . .
C2 C 1.07433(10) 0.6112(2) 0.14765(6) 0.0252(4) Uani 1 1 d . .
C3 C 1.06598(10) 0.5494(2) 0.17681(6) 0.0256(4) Uani 1 1 d . .
C4 C 0.97563(10) 0.3233(2) 0.20643(6) 0.0240(4) Uani 1 1 d . .
C5 C 0.92677(10) 0.2435(2) 0.19478(6) 0.0244(4) Uani 1 1 d . .
C6 C 0.78719(10) 0.2507(2) 0.13421(6) 0.0255(4) Uani 1 1 d . .
C7 C 0.75081(11) 0.3230(2) 0.10763(6) 0.0257(4) Uani 1 1 d . .
C8 C 0.70944(11) 0.4261(2) 0.01664(7) 0.0278(5) Uani 1 1 d . .
C9 C 0.70999(10) 0.4415(2) -0.01762(6) 0.0264(4) Uani 1 1 d . .
C10 C 0.77658(11) 0.4211(2) -0.08774(6) 0.0255(4) Uani 1 1 d . .
C11 C 1.01246(11) 0.6781(3) 0.05576(7) 0.0315(5) Uani 1 1 d . .
C12 C 0.97464(12) 0.5478(3) 0.05052(8) 0.0411(6) Uani 1 1 d . .
H12 H 0.9862 0.4700 0.0699 0.049 Uiso 1 1 calc R U
C13 C 0.91893(13) 0.5297(4) 0.01654(9) 0.0535(8) Uani 1 1 d . .
H13 H 0.8929 0.4397 0.0129 0.064 Uiso 1 1 calc R U
C14 C 0.90249(15) 0.6416(4) -0.01121(9) 0.0644(10) Uani 1 1 d . .
H14 H 0.8649 0.6289 -0.0342 0.077 Uiso 1 1 calc R U
C15 C 0.93912(19) 0.7708(4) -0.00644(9) 0.0751(12) Uani 1 1 d . .
H15 H 0.9272 0.8480 -0.0260 0.090 Uiso 1 1 calc R U
C16 C 0.99447(16) 0.7902(3) 0.02724(8) 0.0569(8) Uani 1 1 d . .
H16 H 1.0199 0.8810 0.0306 0.068 Uiso 1 1 calc R U
C17 C 1.10240(10) 0.9231(2) 0.11272(6) 0.0237(4) Uani 1 1 d . .
C18 C 1.15983(12) 0.9968(3) 0.10772(7) 0.0351(5) Uani 1 1 d . .
H18 H 1.1943 0.9422 0.0998 0.042 Uiso 1 1 calc R U
C19 C 1.16714(14) 1.1502(3) 0.11430(9) 0.0454(6) Uani 1 1 d . .
H19 H 1.2069 1.1998 0.1112 0.054 Uiso 1 1 calc R U
C20 C 1.11734(14) 1.2304(3) 0.12520(8) 0.0410(6) Uani 1 1 d . .
H20 H 1.1225 1.3356 0.1295 0.049 Uiso 1 1 calc R U
C21 C 1.06011(14) 1.1591(3) 0.12997(8) 0.0417(6) Uani 1 1 d . .
H21 H 1.0257 1.2150 0.1376 0.050 Uiso 1 1 calc R U
C22 C 1.05217(12) 1.0056(3) 0.12378(7) 0.0345(5) Uani 1 1 d . .
H22 H 1.0123 0.9568 0.1271 0.041 Uiso 1 1 calc R U
C23 C 1.03092(11) 0.6095(2) 0.25737(6) 0.0273(4) Uani 1 1 d . .
C24 C 0.99003(11) 0.5778(3) 0.28276(7) 0.0319(5) Uani 1 1 d . .
H24 H 0.9713 0.4802 0.2829 0.038 Uiso 1 1 calc R U
C25 C 0.97630(12) 0.6877(3) 0.30804(7) 0.0378(5) Uani 1 1 d . .
H25 H 0.9487 0.6644 0.3256 0.045 Uiso 1 1 calc R U
C26 C 1.00252(13) 0.8301(3) 0.30778(7) 0.0392(6) Uani 1 1 d . .
H26 H 0.9931 0.9050 0.3251 0.047 Uiso 1 1 calc R U
C27 C 1.04209(16) 0.8634(3) 0.28253(8) 0.0488(7) Uani 1 1 d . .
H27 H 1.0599 0.9618 0.2822 0.059 Uiso 1 1 calc R U
C28 C 1.05653(14) 0.7542(3) 0.25723(8) 0.0441(6) Uani 1 1 d . .
H28 H 1.0840 0.7786 0.2398 0.053 Uiso 1 1 calc R U
C29 C 1.13036(10) 0.3332(3) 0.25014(6) 0.0279(5) Uani 1 1 d . .
C30 C 1.18486(12) 0.3941(3) 0.27945(7) 0.0404(6) Uani 1 1 d . .
H30 H 1.1839 0.4966 0.2869 0.048 Uiso 1 1 calc R U
C31 C 1.24084(13) 0.3041(4) 0.29788(8) 0.0524(8) Uani 1 1 d . .
H31 H 1.2782 0.3463 0.3175 0.063 Uiso 1 1 calc R U
C32 C 1.24257(13) 0.1563(4) 0.28805(8) 0.0514(7) Uani 1 1 d . .
H32 H 1.2808 0.0962 0.3009 0.062 Uiso 1 1 calc R U
C33 C 1.18884(13) 0.0943(3) 0.25945(8) 0.0479(7) Uani 1 1 d . .
H33 H 1.1900 -0.0088 0.2527 0.057 Uiso 1 1 calc R U
C34 C 1.13299(12) 0.1824(3) 0.24053(7) 0.0371(5) Uani 1 1 d . .
H34 H 1.0962 0.1389 0.2208 0.045 Uiso 1 1 calc R U
C35 C 0.80315(11) 0.0946(2) 0.21768(6) 0.0259(4) Uani 1 1 d . .
C36 C 0.73357(12) 0.1079(3) 0.21271(7) 0.0384(6) Uani 1 1 d . .
H36 H 0.7053 0.1441 0.1880 0.046 Uiso 1 1 calc R U
C37 C 0.70405(13) 0.0690(4) 0.24323(8) 0.0511(7) Uani 1 1 d . .
H37 H 0.6562 0.0811 0.2395 0.061 Uiso 1 1 calc R U
C38 C 0.74349(15) 0.0136(3) 0.27845(8) 0.0506(7) Uani 1 1 d . .
H38 H 0.7228 -0.0180 0.2987 0.061 Uiso 1 1 calc R U
C39 C 0.81372(15) 0.0033(4) 0.28479(8) 0.0559(8) Uani 1 1 d . .
H39 H 0.8415 -0.0317 0.3097 0.067 Uiso 1 1 calc R U
C40 C 0.84357(13) 0.0441(3) 0.25467(7) 0.0429(6) Uani 1 1 d . .
H40 H 0.8918 0.0378 0.2592 0.052 Uiso 1 1 calc R U
C41 C 0.86189(10) -0.0590(2) 0.15086(6) 0.0257(4) Uani 1 1 d . .
C42 C 0.88131(12) -0.1846(3) 0.17494(8) 0.0365(5) Uani 1 1 d . .
H42 H 0.8899 -0.1756 0.2032 0.044 Uiso 1 1 calc R U
C43 C 0.88831(13) -0.3225(3) 0.15828(9) 0.0444(6) Uani 1 1 d . .
H43 H 0.9010 -0.4079 0.1750 0.053 Uiso 1 1 calc R U
C44 C 0.87695(12) -0.3365(3) 0.11766(9) 0.0475(7) Uani 1 1 d . .
H44 H 0.8818 -0.4317 0.1064 0.057 Uiso 1 1 calc R U
C45 C 0.85865(14) -0.2137(3) 0.09315(9) 0.0501(7) Uani 1 1 d . .
H45 H 0.8516 -0.2234 0.0650 0.060 Uiso 1 1 calc R U
C46 C 0.85047(13) -0.0749(3) 0.10979(7) 0.0397(6) Uani 1 1 d . .
H46 H 0.8369 0.0096 0.0928 0.048 Uiso 1 1 calc R U
C47 C 0.68056(10) 0.6338(2) 0.08252(7) 0.0279(5) Uani 1 1 d . .
C48 C 0.65796(13) 0.7458(3) 0.05439(8) 0.0415(6) Uani 1 1 d . .
H48 H 0.6475 0.7228 0.0266 0.050 Uiso 1 1 calc R U
C49 C 0.65059(14) 0.8921(3) 0.06675(9) 0.0516(7) Uani 1 1 d . .
H49 H 0.6353 0.9687 0.0474 0.062 Uiso 1 1 calc R U
C50 C 0.66533(12) 0.9263(3) 0.10682(9) 0.0482(7) Uani 1 1 d . .
H50 H 0.6598 1.0260 0.1151 0.058 Uiso 1 1 calc R U
C51 C 0.68805(13) 0.8162(3) 0.13483(8) 0.0430(6) Uani 1 1 d . .
H51 H 0.6981 0.8394 0.1626 0.052 Uiso 1 1 calc R U
C52 C 0.69633(12) 0.6708(3) 0.12259(7) 0.0352(5) Uani 1 1 d . .
H52 H 0.7131 0.5955 0.1421 0.042 Uiso 1 1 calc R U
C53 C 0.59993(10) 0.3217(2) 0.05696(6) 0.0269(4) Uani 1 1 d . .
C54 C 0.56933(12) 0.2985(3) 0.08774(7) 0.0369(5) Uani 1 1 d . .
H54 H 0.5909 0.3347 0.1138 0.044 Uiso 1 1 calc R U
C55 C 0.50726(12) 0.2228(3) 0.08082(8) 0.0439(6) Uani 1 1 d . .
H55 H 0.4868 0.2073 0.1022 0.053 Uiso 1 1 calc R U
C56 C 0.47565(13) 0.1709(3) 0.04361(8) 0.0464(7) Uani 1 1 d . .
H56 H 0.4328 0.1208 0.0389 0.056 Uiso 1 1 calc R U
C57 C 0.50582(14) 0.1909(3) 0.01258(8) 0.0514(7) Uani 1 1 d . .
H57 H 0.4840 0.1534 -0.0133 0.062 Uiso 1 1 calc R U
C58 C 0.56789(12) 0.2655(3) 0.01922(7) 0.0400(6) Uani 1 1 d . .
H58 H 0.5886 0.2784 -0.0021 0.048 Uiso 1 1 calc R U
C59 C 0.69292(10) 0.7132(2) -0.07321(7) 0.0279(5) Uani 1 1 d . .
C60 C 0.65615(11) 0.7868(3) -0.10762(8) 0.0377(6) Uani 1 1 d . .
H60 H 0.6358 0.7311 -0.1312 0.045 Uiso 1 1 calc R U
C61 C 0.67867(14) 1.0228(3) -0.07341(11) 0.0538(8) Uani 1 1 d . .
H61 H 0.6739 1.1289 -0.0735 0.065 Uiso 1 1 calc R U
C62 C 0.64913(13) 0.9421(3) -0.10757(10) 0.0515(8) Uani 1 1 d . .
H62 H 0.6240 0.9924 -0.1311 0.062 Uiso 1 1 calc R U
C63 C 0.71477(15) 0.9514(3) -0.03935(10) 0.0502(7) Uani 1 1 d . .
H63 H 0.7349 1.0079 -0.0159 0.060 Uiso 1 1 calc R U
C64 C 0.72203(13) 0.7959(3) -0.03901(8) 0.0377(5) Uani 1 1 d . .
H64 H 0.7469 0.7465 -0.0153 0.045 Uiso 1 1 calc R U
C65 C 0.61593(10) 0.4044(2) -0.10484(6) 0.0249(4) Uani 1 1 d . .
C66 C 0.55763(11) 0.4000(3) -0.09052(7) 0.0319(5) Uani 1 1 d . .
H66 H 0.5591 0.4431 -0.0652 0.038 Uiso 1 1 calc R U
C67 C 0.49785(12) 0.3336(3) -0.11275(7) 0.0374(5) Uani 1 1 d . .
H67 H 0.4587 0.3300 -0.1026 0.045 Uiso 1 1 calc R U
C68 C 0.49527(12) 0.2727(3) -0.14980(8) 0.0373(5) Uani 1 1 d . .
H68 H 0.4543 0.2268 -0.1651 0.045 Uiso 1 1 calc R U
C69 C 0.55216(12) 0.2783(3) -0.16460(7) 0.0347(5) Uani 1 1 d . .
H69 H 0.5499 0.2378 -0.1903 0.042 Uiso 1 1 calc R U
C70 C 0.61243(11) 0.3427(2) -0.14226(6) 0.0285(5) Uani 1 1 d . .
H70 H 0.6515 0.3449 -0.1525 0.034 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'
Cl Cl 0.1484 0.1585 '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
C2 Ge1 C1 105.77(9) .
C2 Ge1 C17 110.04(9) .
C1 Ge1 C17 108.90(9) .
C2 Ge1 C11 110.11(9) .
C1 Ge1 C11 111.54(9) .
C17 Ge1 C11 110.38(9) .
C4 Ge2 C3 107.32(9) .
C4 Ge2 C23 109.37(9) .
C3 Ge2 C23 107.73(9) .
C4 Ge2 C29 107.38(9) .
C3 Ge2 C29 111.50(9) .
C23 Ge2 C29 113.37(9) .
C6 Ge3 C5 105.56(9) .
C6 Ge3 C35 110.23(9) .
C5 Ge3 C35 108.33(9) .
C6 Ge3 C41 109.14(9) .
C5 Ge3 C41 112.68(8) .
C35 Ge3 C41 110.76(9) .
C8 Ge4 C7 112.82(9) .
C8 Ge4 C47 108.53(9) .
C7 Ge4 C47 109.27(9) .
C8 Ge4 C53 105.87(9) .
C7 Ge4 C53 107.18(9) .
C47 Ge4 C53 113.21(9) .
C9 Ge5 C10 107.49(9) .
C9 Ge5 C65 109.05(9) .
C10 Ge5 C65 110.04(9) .
C9 Ge5 C59 105.00(9) .
C10 Ge5 C59 113.27(9) .
C65 Ge5 C59 111.71(9) .
C10 C1 Ge1 176.88(19) 3_765
C3 C2 Ge1 178.79(19) .
C2 C3 Ge2 178.9(2) .
C5 C4 Ge2 178.1(2) .
C4 C5 Ge3 175.81(19) .
C7 C6 Ge3 177.2(2) .
C6 C7 Ge4 174.73(19) .
C9 C8 Ge4 164.93(19) .
C8 C9 Ge5 169.25(19) .
C1 C10 Ge5 174.91(19) 3_765
C12 C11 C16 118.9(2) .
C12 C11 Ge1 122.37(19) .
C16 C11 Ge1 118.73(19) .
C11 C12 C13 120.2(3) .
C11 C12 H12 119.9 .
C13 C12 H12 119.9 .
C14 C13 C12 119.8(3) .
C14 C13 H13 120.1 .
C12 C13 H13 120.1 .
C15 C14 C13 120.8(3) .
C15 C14 H14 119.6 .
C13 C14 H14 119.6 .
C14 C15 C16 119.9(3) .
C14 C15 H15 120.0 .
C16 C15 H15 120.0 .
C11 C16 C15 120.4(3) .
C11 C16 H16 119.8 .
C15 C16 H16 119.8 .
C18 C17 C22 119.0(2) .
C18 C17 Ge1 121.13(16) .
C22 C17 Ge1 119.84(16) .
C17 C18 C19 120.2(2) .
C17 C18 H18 119.9 .
C19 C18 H18 119.9 .
C20 C19 C18 120.4(2) .
C20 C19 H19 119.8 .
C18 C19 H19 119.8 .
C19 C20 C21 120.0(2) .
C19 C20 H20 120.0 .
C21 C20 H20 120.0 .
C20 C21 C22 120.4(2) .
C20 C21 H21 119.8 .
C22 C21 H21 119.8 .
C21 C22 C17 120.1(2) .
C21 C22 H22 120.0 .
C17 C22 H22 120.0 .
C24 C23 C28 118.5(2) .
C24 C23 Ge2 120.44(16) .
C28 C23 Ge2 121.08(17) .
C23 C24 C25 120.6(2) .
C23 C24 H24 119.7 .
C25 C24 H24 119.7 .
C26 C25 C24 120.2(2) .
C26 C25 H25 119.9 .
C24 C25 H25 119.9 .
C27 C26 C25 119.8(2) .
C27 C26 H26 120.1 .
C25 C26 H26 120.1 .
C26 C27 C28 120.6(2) .
C26 C27 H27 119.7 .
C28 C27 H27 119.7 .
C23 C28 C27 120.4(2) .
C23 C28 H28 119.8 .
C27 C28 H28 119.8 .
C34 C29 C30 118.5(2) .
C34 C29 Ge2 120.36(16) .
C30 C29 Ge2 121.11(19) .
C29 C30 C31 119.8(3) .
C29 C30 H30 120.1 .
C31 C30 H30 120.1 .
C32 C31 C30 120.8(2) .
C32 C31 H31 119.6 .
C30 C31 H31 119.6 .
C31 C32 C33 120.0(2) .
C31 C32 H32 120.0 .
C33 C32 H32 120.0 .
C32 C33 C34 120.0(3) .
C32 C33 H33 120.0 .
C34 C33 H33 120.0 .
C29 C34 C33 120.8(2) .
C29 C34 H34 119.6 .
C33 C34 H34 119.6 .
C36 C35 C40 118.1(2) .
C36 C35 Ge3 122.34(17) .
C40 C35 Ge3 119.35(16) .
C35 C36 C37 121.1(2) .
C35 C36 H36 119.5 .
C37 C36 H36 119.5 .
C38 C37 C36 120.2(2) .
C38 C37 H37 119.9 .
C36 C37 H37 119.9 .
C37 C38 C39 120.0(2) .
C37 C38 H38 120.0 .
C39 C38 H38 120.0 .
C38 C39 C40 119.9(3) .
C38 C39 H39 120.0 .
C40 C39 H39 120.0 .
C39 C40 C35 120.5(2) .
C39 C40 H40 119.7 .
C35 C40 H40 119.7 .
C46 C41 C42 118.5(2) .
C46 C41 Ge3 121.51(17) .
C42 C41 Ge3 119.87(17) .
C43 C42 C41 120.7(2) .
C43 C42 H42 119.6 .
C41 C42 H42 119.6 .
C44 C43 C42 120.1(3) .
C44 C43 H43 119.9 .
C42 C43 H43 119.9 .
C43 C44 C45 120.4(2) .
C43 C44 H44 119.8 .
C45 C44 H44 119.8 .
C44 C45 C46 119.6(3) .
C44 C45 H45 120.2 .
C46 C45 H45 120.2 .
C41 C46 C45 120.6(2) .
C41 C46 H46 119.7 .
C45 C46 H46 119.7 .
C52 C47 C48 118.7(2) .
C52 C47 Ge4 120.20(17) .
C48 C47 Ge4 121.00(18) .
C47 C48 C49 120.1(2) .
C47 C48 H48 120.0 .
C49 C48 H48 120.0 .
C50 C49 C48 120.4(2) .
C50 C49 H49 119.8 .
C48 C49 H49 119.8 .
C51 C50 C49 119.9(2) .
C51 C50 H50 120.1 .
C49 C50 H50 120.1 .
C50 C51 C52 119.8(3) .
C50 C51 H51 120.1 .
C52 C51 H51 120.1 .
C47 C52 C51 121.1(2) .
C47 C52 H52 119.5 .
C51 C52 H52 119.5 .
C54 C53 C58 118.6(2) .
C54 C53 Ge4 120.79(16) .
C58 C53 Ge4 120.61(17) .
C53 C54 C55 120.6(2) .
C53 C54 H54 119.7 .
C55 C54 H54 119.7 .
C56 C55 C54 120.4(2) .
C56 C55 H55 119.8 .
C54 C55 H55 119.8 .
C55 C56 C57 120.0(2) .
C55 C56 H56 120.0 .
C57 C56 H56 120.0 .
C56 C57 C58 120.1(2) .
C56 C57 H57 119.9 .
C58 C57 H57 119.9 .
C57 C58 C53 120.4(2) .
C57 C58 H58 119.8 .
C53 C58 H58 119.8 .
C64 C59 C60 119.4(2) .
C64 C59 Ge5 120.43(17) .
C60 C59 Ge5 120.09(18) .
C59 C60 C62 120.0(3) .
C59 C60 H60 120.0 .
C62 C60 H60 120.0 .
C63 C61 C62 120.5(2) .
C63 C61 H61 119.7 .
C62 C61 H61 119.7 .
C61 C62 C60 120.0(3) .
C61 C62 H62 120.0 .
C60 C62 H62 120.0 .
C61 C63 C64 120.1(3) .
C61 C63 H63 120.0 .
C64 C63 H63 120.0 .
C59 C64 C63 120.1(2) .
C59 C64 H64 120.0 .
C63 C64 H64 120.0 .
C70 C65 C66 118.7(2) .
C70 C65 Ge5 121.96(16) .
C66 C65 Ge5 119.31(16) .
C67 C66 C65 120.8(2) .
C67 C66 H66 119.6 .
C65 C66 H66 119.6 .
C68 C67 C66 119.8(2) .
C68 C67 H67 120.1 .
C66 C67 H67 120.1 .
C69 C68 C67 120.1(2) .
C69 C68 H68 120.0 .
C67 C68 H68 120.0 .
C68 C69 C70 120.4(2) .
C68 C69 H69 119.8 .
C70 C69 H69 119.8 .
C69 C70 C65 120.2(2) .
C69 C70 H70 119.9 .
C65 C70 H70 119.9 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C2 1.909(2) .
Ge1 C1 1.921(2) .
Ge1 C17 1.929(2) .
Ge1 C11 1.937(2) .
Ge2 C4 1.909(2) .
Ge2 C3 1.910(2) .
Ge2 C23 1.933(2) .
Ge2 C29 1.936(2) .
Ge3 C6 1.905(2) .
Ge3 C5 1.914(2) .
Ge3 C35 1.931(2) .
Ge3 C41 1.933(2) .
Ge4 C8 1.903(2) .
Ge4 C7 1.908(2) .
Ge4 C47 1.931(2) .
Ge4 C53 1.936(2) .
Ge5 C9 1.909(2) .
Ge5 C10 1.911(2) .
Ge5 C65 1.936(2) .
Ge5 C59 1.942(2) .
C1 C10 1.200(3) 3_765
C2 C3 1.201(3) .
C4 C5 1.198(3) .
C6 C7 1.202(3) .
C8 C9 1.198(3) .
C10 C1 1.199(3) 3_765
C11 C12 1.376(3) .
C11 C16 1.385(4) .
C12 C13 1.407(3) .
C12 H12 0.9500 .
C13 C14 1.364(5) .
C13 H13 0.9500 .
C14 C15 1.356(5) .
C14 H14 0.9500 .
C15 C16 1.398(4) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C18 1.386(3) .
C17 C22 1.389(3) .
C18 C19 1.387(3) .
C18 H18 0.9500 .
C19 C20 1.369(4) .
C19 H19 0.9500 .
C20 C21 1.370(4) .
C20 H20 0.9500 .
C21 C22 1.388(3) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C24 1.387(3) .
C23 C28 1.391(3) .
C24 C25 1.390(3) .
C24 H24 0.9500 .
C25 C26 1.377(4) .
C25 H25 0.9500 .
C26 C27 1.367(4) .
C26 H26 0.9500 .
C27 C28 1.391(4) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C34 1.389(3) .
C29 C30 1.396(3) .
C30 C31 1.398(4) .
C30 H30 0.9500 .
C31 C32 1.363(4) .
C31 H31 0.9500 .
C32 C33 1.378(4) .
C32 H32 0.9500 .
C33 C34 1.390(3) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 C36 1.379(3) .
C35 C40 1.399(3) .
C36 C37 1.389(3) .
C36 H36 0.9500 .
C37 C38 1.361(4) .
C37 H37 0.9500 .
C38 C39 1.383(4) .
C38 H38 0.9500 .
C39 C40 1.386(4) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C46 1.387(3) .
C41 C42 1.389(3) .
C42 C43 1.381(3) .
C42 H42 0.9500 .
C43 C44 1.370(4) .
C43 H43 0.9500 .
C44 C45 1.374(4) .
C44 H44 0.9500 .
C45 C46 1.393(4) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C52 1.379(3) .
C47 C48 1.385(3) .
C48 C49 1.392(4) .
C48 H48 0.9500 .
C49 C50 1.374(4) .
C49 H49 0.9500 .
C50 C51 1.371(4) .
C50 H50 0.9500 .
C51 C52 1.388(3) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C53 C54 1.384(3) .
C53 C58 1.389(3) .
C54 C55 1.390(3) .
C54 H54 0.9500 .
C55 C56 1.359(4) .
C55 H55 0.9500 .
C56 C57 1.382(4) .
C56 H56 0.9500 .
C57 C58 1.387(3) .
C57 H57 0.9500 .
C58 H58 0.9500 .
C59 C64 1.387(3) .
C59 C60 1.391(3) .
C60 C62 1.391(4) .
C60 H60 0.9500 .
C61 C63 1.369(4) .
C61 C62 1.378(4) .
C61 H61 0.9500 .
C62 H62 0.9500 .
C63 C64 1.393(3) .
C63 H63 0.9500 .
C64 H64 0.9500 .
C65 C70 1.392(3) .
C65 C66 1.397(3) .
C66 C67 1.383(3) .
C66 H66 0.9500 .
C67 C68 1.382(3) .
C67 H67 0.9500 .
C68 C69 1.381(3) .
C68 H68 0.9500 .
C69 C70 1.385(3) .
C69 H69 0.9500 .
C70 H70 0.9500 .
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
Ge4 C8 C9 Ge5 21.5(17)
C16 C11 C12 C13 0.3(4)
Ge1 C11 C12 C13 179.48(18)
C11 C12 C13 C14 0.0(4)
C12 C13 C14 C15 -0.2(5)
C13 C14 C15 C16 0.0(5)
C12 C11 C16 C15 -0.5(4)
Ge1 C11 C16 C15 -179.7(3)
C14 C15 C16 C11 0.3(5)
C22 C17 C18 C19 0.9(4)
Ge1 C17 C18 C19 177.8(2)
C17 C18 C19 C20 -0.9(4)
C18 C19 C20 C21 0.5(4)
C19 C20 C21 C22 -0.1(4)
C20 C21 C22 C17 0.1(4)
C18 C17 C22 C21 -0.5(3)
Ge1 C17 C22 C21 -177.44(19)
C28 C23 C24 C25 -1.3(3)
Ge2 C23 C24 C25 178.00(17)
C23 C24 C25 C26 0.8(4)
C24 C25 C26 C27 0.1(4)
C25 C26 C27 C28 -0.4(4)
C24 C23 C28 C27 1.0(4)
Ge2 C23 C28 C27 -178.4(2)
C26 C27 C28 C23 -0.1(4)
C34 C29 C30 C31 1.0(4)
Ge2 C29 C30 C31 -179.41(19)
C29 C30 C31 C32 -1.0(4)
C30 C31 C32 C33 0.4(4)
C31 C32 C33 C34 0.2(4)
C30 C29 C34 C33 -0.5(4)
Ge2 C29 C34 C33 179.96(19)
C32 C33 C34 C29 -0.1(4)
C40 C35 C36 C37 -1.4(4)
Ge3 C35 C36 C37 173.9(2)
C35 C36 C37 C38 -1.5(4)
C36 C37 C38 C39 3.5(5)
C37 C38 C39 C40 -2.4(5)
C38 C39 C40 C35 -0.6(5)
C36 C35 C40 C39 2.4(4)
Ge3 C35 C40 C39 -173.0(2)
C46 C41 C42 C43 -0.7(3)
Ge3 C41 C42 C43 174.85(18)
C41 C42 C43 C44 0.8(4)
C42 C43 C44 C45 0.1(4)
C43 C44 C45 C46 -1.1(4)
C42 C41 C46 C45 -0.3(4)
Ge3 C41 C46 C45 -175.8(2)
C44 C45 C46 C41 1.2(4)
C52 C47 C48 C49 -0.9(4)
Ge4 C47 C48 C49 176.3(2)
C47 C48 C49 C50 -0.3(4)
C48 C49 C50 C51 0.6(4)
C49 C50 C51 C52 0.2(4)
C48 C47 C52 C51 1.8(4)
Ge4 C47 C52 C51 -175.43(18)
C50 C51 C52 C47 -1.5(4)
C58 C53 C54 C55 -1.0(4)
Ge4 C53 C54 C55 179.70(19)
C53 C54 C55 C56 -0.2(4)
C54 C55 C56 C57 1.2(4)
C55 C56 C57 C58 -0.8(4)
C56 C57 C58 C53 -0.5(4)
C54 C53 C58 C57 1.4(4)
Ge4 C53 C58 C57 -179.4(2)
C64 C59 C60 C62 0.3(3)
Ge5 C59 C60 C62 176.82(18)
C63 C61 C62 C60 -0.3(4)
C59 C60 C62 C61 0.0(4)
C62 C61 C63 C64 0.1(4)
C60 C59 C64 C63 -0.5(3)
Ge5 C59 C64 C63 -176.96(19)
C61 C63 C64 C59 0.3(4)
C70 C65 C66 C67 1.0(3)
Ge5 C65 C66 C67 -179.06(18)
C65 C66 C67 C68 -0.9(4)
C66 C67 C68 C69 -0.2(4)
C67 C68 C69 C70 1.1(4)
C68 C69 C70 C65 -0.9(3)
C66 C65 C70 C69 -0.1(3)
Ge5 C65 C70 C69 179.96(16)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.881 0.168 0.035 67 9 ' '
2 0.119 -0.168 0.965 67 9 ' '
3 0.770 0.184 0.684 29 1 ' '
4 0.381 0.332 0.535 67 9 ' '
5 0.270 0.316 0.184 29 1 ' '
6 0.619 0.668 0.465 67 9 ' '
7 0.730 0.684 0.816 29 1 ' '
8 0.230 0.816 0.316 29 1 ' '
