#------------------------------------------------------------------------------
#$Date: 2023-05-23 01:50:27 +0300 (Tue, 23 May 2023) $
#$Revision: 283946 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/31/7713115.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_7713115
loop_
_publ_author_name
'Murai, Masahito'
'Ito, Mako'
'Takahashi, Satoshi'
'Yamaguchi, Shigehiro'
_publ_section_title
;
 Germanium- and Tin-Bridged Diazulenylmethyl Cations: Effects of the Group
 14 Element on the Structure and Properties of the π-Extended Cation
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01491F
_journal_year                    2023
_chemical_formula_sum            'C23 H19 F6 Ge P'
_chemical_formula_weight         512.94
_chemical_name_common            'Ge-bridged diazulenylmethyl cation'
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-03-28 deposited with the CCDC.	2023-05-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.072(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.1631(6)
_cell_length_b                   11.2974(2)
_cell_length_c                   13.8266(3)
_cell_measurement_reflns_used    15074
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      17.7820
_cell_measurement_theta_min      1.5840
_cell_volume                     4159.24(16)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'esperanto-CrysAlisPro-abstract goniometer imported esperanto images'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.4129
_diffrn_reflns_av_R_equivalents  0.0999
_diffrn_reflns_av_unetI/netI     0.0753
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            46342
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        14.344
_diffrn_reflns_theta_max         15.552
_diffrn_reflns_theta_min         1.585
_exptl_absorpt_coefficient_mu    0.378
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.20937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_description       block
_exptl_crystal_F_000             2064
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane/hexane'
_exptl_crystal_size_max          0.010
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.078
_refine_ls_abs_structure_details
;
 Flack x determined using 3966 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.284(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         9517
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0442
_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)+6.6843P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.0972
_reflns_Friedel_coverage         0.995
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                9049
_reflns_number_total             9517
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01491f2.cif
_cod_data_source_block           04_MI01__autored_a
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7713115
_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   0.963
_shelx_estimated_absorpt_t_max   0.963
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'
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
Ge01 Ge 0.26563(2) 0.14286(4) 0.31416(4) 0.01756(12) Uani 1 1 d . . . . .
Ge02 Ge 0.46814(2) 0.58254(5) 0.65149(5) 0.02886(16) Uani 1 1 d . . . . .
P003 P 0.81777(6) 0.98454(13) 0.72019(13) 0.0243(3) Uani 1 1 d . . . . .
P004 P 0.58905(6) 0.20484(14) 0.70694(15) 0.0327(4) Uani 1 1 d . . . . .
F005 F 0.80185(14) 0.8510(3) 0.6809(4) 0.0398(9) Uani 1 1 d . . . . .
F006 F 0.83422(15) 1.1156(3) 0.7609(3) 0.0394(9) Uani 1 1 d . . . . .
F007 F 0.87505(15) 0.9503(4) 0.7491(4) 0.0476(11) Uani 1 1 d . . . . .
F008 F 0.82469(19) 0.9451(4) 0.8358(4) 0.0478(11) Uani 1 1 d . . . . .
F009 F 0.60931(18) 0.3056(4) 0.6536(5) 0.0567(13) Uani 1 1 d . . . . .
F00A F 0.56920(16) 0.1030(4) 0.7602(4) 0.0461(10) Uani 1 1 d . . . . .
F00B F 0.76071(15) 1.0173(4) 0.6920(5) 0.0559(13) Uani 1 1 d . . . . .
F00C F 0.8120(2) 1.0214(5) 0.6050(4) 0.0613(14) Uani 1 1 d . . . . .
F00D F 0.56296(19) 0.1372(4) 0.5961(4) 0.0538(12) Uani 1 1 d . . . . .
F00E F 0.53818(17) 0.2765(4) 0.6794(5) 0.0609(14) Uani 1 1 d . . . . .
F00F F 0.63915(15) 0.1311(4) 0.7324(5) 0.0561(13) Uani 1 1 d . . . . .
F00G F 0.6139(2) 0.2701(5) 0.8175(5) 0.0746(17) Uani 1 1 d . . . . .
C00H C 0.2564(2) -0.1109(5) 0.3576(4) 0.0195(10) Uani 1 1 d . . . . .
C00I C 0.23409(19) 0.0051(5) 0.3451(4) 0.0193(10) Uani 1 1 d . . . . .
C00J C 0.3317(2) 0.0743(5) 0.3475(4) 0.0175(10) Uani 1 1 d . . . . .
C00K C 0.4130(2) 0.0335(5) 0.3727(4) 0.0203(11) Uani 1 1 d . . . . .
C00L C 0.37658(19) 0.1236(5) 0.3592(4) 0.0191(10) Uani 1 1 d . . . . .
H1 H 0.382619 0.206109 0.358346 0.023 Uiso 1 1 calc R U . . .
C00M C 0.4310(2) 0.9426(5) 0.6296(4) 0.0220(11) Uani 1 1 d . . . . .
C00N C 0.3033(2) -0.1375(5) 0.3586(4) 0.0193(10) Uani 1 1 d . . . . .
H2 H 0.312240 -0.218633 0.360649 0.023 Uiso 1 1 calc R U . . .
C00O C 0.4637(2) 0.8428(5) 0.6399(4) 0.0203(10) Uani 1 1 d . . . . .
C00P C 0.5411(2) 0.7550(5) 0.6356(4) 0.0207(11) Uani 1 1 d . . . . .
C00Q C 0.3884(2) 0.7672(6) 0.6239(4) 0.0251(12) Uani 1 1 d . . . . .
H3 H 0.362508 0.713066 0.618548 0.030 Uiso 1 1 calc R U . . .
C00R C 0.3836(2) 0.8928(5) 0.6203(4) 0.0234(11) Uani 1 1 d . . . . .
C00S C 0.4441(2) 1.0598(5) 0.6304(4) 0.0229(11) Uani 1 1 d . . . . .
H4 H 0.477143 1.074763 0.635679 0.027 Uiso 1 1 calc R U . . .
C00T C 0.33819(19) -0.0537(4) 0.3567(4) 0.0170(10) Uani 1 1 d . . . . .
C00U C 0.4089(2) -0.1922(5) 0.3757(4) 0.0229(11) Uani 1 1 d . . . . .
H5 H 0.387888 -0.256271 0.376059 0.028 Uiso 1 1 calc R U . . .
C00V C 0.1524(2) -0.3851(6) 0.4075(5) 0.0311(13) Uani 1 1 d . . . . .
H6 H 0.136923 -0.455594 0.416814 0.037 Uiso 1 1 calc R U . . .
C00W C 0.6004(2) 0.6411(5) 0.6073(5) 0.0264(12) Uani 1 1 d . . . . .
C00X C 0.22235(19) -0.1952(5) 0.3731(4) 0.0183(10) Uani 1 1 d . . . . .
C00Y C 0.2302(2) -0.3161(5) 0.3877(5) 0.0274(12) Uani 1 1 d . . . . .
H7 H 0.260946 -0.344882 0.388584 0.033 Uiso 1 1 calc R U . . .
C00Z C 0.1797(2) -0.1263(5) 0.3711(4) 0.0212(11) Uani 1 1 d . . . . .
C010 C 0.6135(2) 0.8660(5) 0.6258(5) 0.0221(11) Uani 1 1 d . . . . .
H8 H 0.599673 0.936828 0.639625 0.027 Uiso 1 1 calc R U . . .
C011 C 0.2323(2) 0.1747(5) 0.1630(5) 0.0248(12) Uani 1 1 d . . . . .
H9 H 0.230859 0.101854 0.123374 0.037 Uiso 1 1 calc R U . . .
H10 H 0.251168 0.235137 0.143525 0.037 Uiso 1 1 calc R U . . .
H11 H 0.198152 0.203292 0.145827 0.037 Uiso 1 1 calc R U . . .
C012 C 0.4562(2) -0.2233(5) 0.3816(4) 0.0256(12) Uani 1 1 d . . . . .
H12 H 0.462108 -0.305871 0.380607 0.031 Uiso 1 1 calc R U . . .
C013 C 0.3398(2) 0.9536(6) 0.6092(4) 0.0249(12) Uani 1 1 d . . . . .
H13 H 0.311819 0.905651 0.601927 0.030 Uiso 1 1 calc R U . . .
C014 C 0.5874(2) 0.7624(5) 0.6230(4) 0.0200(10) Uani 1 1 d . . . . .
C015 C 0.2626(2) 0.2825(5) 0.3926(5) 0.0254(12) Uani 1 1 d . . . . .
H14 H 0.229367 0.319013 0.358270 0.038 Uiso 1 1 calc R U . . .
H15 H 0.288356 0.339074 0.394082 0.038 Uiso 1 1 calc R U . . .
H16 H 0.268599 0.260015 0.465266 0.038 Uiso 1 1 calc R U . . .
C016 C 0.4360(2) 0.7365(5) 0.6364(5) 0.0259(12) Uani 1 1 d . . . . .
C017 C 0.1375(2) -0.1677(5) 0.3855(5) 0.0254(12) Uani 1 1 d . . . . .
H17 H 0.113796 -0.109123 0.383746 0.031 Uiso 1 1 calc R U . . .
C018 C 0.1987(3) -0.4001(6) 0.4013(6) 0.0335(14) Uani 1 1 d . . . . .
H18 H 0.210277 -0.479523 0.407321 0.040 Uiso 1 1 calc R U . . .
C019 C 0.3885(2) -0.0798(5) 0.3693(4) 0.0195(10) Uani 1 1 d . . . . .
C01A C 0.3322(2) 1.0748(6) 0.6076(4) 0.0309(14) Uani 1 1 d . . . . .
H19 H 0.299688 1.098970 0.599704 0.037 Uiso 1 1 calc R U . . .
C01B C 0.6577(2) 0.8781(5) 0.6108(5) 0.0276(12) Uani 1 1 d . . . . .
H20 H 0.670128 0.956706 0.616069 0.033 Uiso 1 1 calc R U . . .
C01C C 0.5122(2) 0.8508(5) 0.6421(4) 0.0209(10) Uani 1 1 d . . . . .
H21 H 0.526500 0.927522 0.648611 0.025 Uiso 1 1 calc R U . . .
C01D C 0.3656(2) 1.1660(6) 0.6158(5) 0.0300(14) Uani 1 1 d . . . . .
H22 H 0.353229 1.243807 0.615458 0.036 Uiso 1 1 calc R U . . .
C01E C 0.1885(2) -0.0049(5) 0.3537(5) 0.0214(11) Uani 1 1 d . . . . .
H23 H 0.166480 0.058965 0.348848 0.026 Uiso 1 1 calc R U . . .
C01F C 0.4621(2) 0.0544(5) 0.3866(4) 0.0246(11) Uani 1 1 d . . . . .
H24 H 0.471934 0.135167 0.392267 0.029 Uiso 1 1 calc R U . . .
C01G C 0.4992(2) -0.0288(6) 0.3935(4) 0.0269(12) Uani 1 1 d . . . . .
H25 H 0.530863 0.003127 0.402531 0.032 Uiso 1 1 calc R U . . .
C01H C 0.5630(2) 0.5660(5) 0.6140(5) 0.0325(14) Uani 1 1 d . . . . .
H26 H 0.562752 0.482204 0.607917 0.039 Uiso 1 1 calc R U . . .
C01I C 0.4958(2) -0.1507(6) 0.3888(5) 0.0288(13) Uani 1 1 d . . . . .
H27 H 0.524801 -0.190760 0.390771 0.035 Uiso 1 1 calc R U . . .
C01J C 0.6789(2) 0.6713(6) 0.5794(5) 0.0335(14) Uani 1 1 d . . . . .
H28 H 0.703437 0.628402 0.564957 0.040 Uiso 1 1 calc R U . . .
C01K C 0.4148(2) 1.1586(6) 0.6245(5) 0.0273(13) Uani 1 1 d . . . . .
H29 H 0.430775 1.232472 0.626682 0.033 Uiso 1 1 calc R U . . .
C01L C 0.6861(2) 0.7927(6) 0.5892(5) 0.0322(14) Uani 1 1 d . . . . .
H30 H 0.714663 0.821181 0.579838 0.039 Uiso 1 1 calc R U . . .
C01M C 0.1260(2) -0.2815(6) 0.4018(5) 0.0313(13) Uani 1 1 d . . . . .
H31 H 0.095485 -0.290696 0.410533 0.038 Uiso 1 1 calc R U . . .
C01N C 0.6414(2) 0.6040(6) 0.5876(5) 0.0318(14) Uani 1 1 d . . . . .
H32 H 0.643717 0.521137 0.578625 0.038 Uiso 1 1 calc R U . . .
C01O C 0.4282(3) 0.4688(6) 0.5456(7) 0.0459(18) Uani 1 1 d . . . . .
H33 H 0.416105 0.505167 0.475259 0.069 Uiso 1 1 calc R U . . .
H34 H 0.399443 0.444126 0.560319 0.069 Uiso 1 1 calc R U . . .
H35 H 0.448832 0.399524 0.547837 0.069 Uiso 1 1 calc R U . . .
C01P C 0.5272(2) 0.6313(5) 0.6304(5) 0.0279(12) Uani 1 1 d . . . . .
C01Q C 0.4906(3) 0.5278(8) 0.7971(7) 0.050(2) Uani 1 1 d . . . . .
H36 H 0.507284 0.451001 0.804588 0.076 Uiso 1 1 calc R U . . .
H37 H 0.461578 0.519694 0.815254 0.076 Uiso 1 1 calc R U . . .
H38 H 0.514212 0.585318 0.844812 0.076 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 -0.0001 0.0005 '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'
P P 0.0348 0.0309 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0038 0.0031 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.2814 0.6868 '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
C015 Ge01 C00I 113.3(2) . . ?
C015 Ge01 C011 109.5(3) . . ?
C00I Ge01 C011 108.1(2) . . ?
C015 Ge01 C00J 117.2(2) . . ?
C00I Ge01 C00J 98.1(2) . . ?
C011 Ge01 C00J 109.9(2) . . ?
C01O Ge02 C01P 111.8(3) . . ?
C01O Ge02 C016 113.3(3) . . ?
C01P Ge02 C016 98.6(2) . . ?
C01O Ge02 C01Q 114.5(4) . . ?
C01P Ge02 C01Q 107.5(3) . . ?
C016 Ge02 C01Q 109.8(3) . . ?
F00C P003 F006 90.3(3) . . ?
F00C P003 F00B 91.2(3) . . ?
F006 P003 F00B 90.3(2) . . ?
F00C P003 F008 178.5(3) . . ?
F006 P003 F008 90.5(2) . . ?
F00B P003 F008 90.1(3) . . ?
F00C P003 F007 89.3(3) . . ?
F006 P003 F007 90.2(2) . . ?
F00B P003 F007 179.4(3) . . ?
F008 P003 F007 89.4(3) . . ?
F00C P003 F005 90.5(3) . . ?
F006 P003 F005 179.0(3) . . ?
F00B P003 F005 90.4(2) . . ?
F008 P003 F005 88.7(2) . . ?
F007 P003 F005 89.2(2) . . ?
F00G P004 F00F 90.7(3) . . ?
F00G P004 F00E 90.6(3) . . ?
F00F P004 F00E 178.7(3) . . ?
F00G P004 F009 90.2(3) . . ?
F00F P004 F009 89.8(2) . . ?
F00E P004 F009 90.6(2) . . ?
F00G P004 F00A 90.0(3) . . ?
F00F P004 F00A 89.6(2) . . ?
F00E P004 F00A 90.0(3) . . ?
F009 P004 F00A 179.4(3) . . ?
F00G P004 F00D 178.6(3) . . ?
F00F P004 F00D 89.8(3) . . ?
F00E P004 F00D 88.9(3) . . ?
F009 P004 F00D 91.1(3) . . ?
F00A P004 F00D 88.7(3) . . ?
C00N C00H C00I 126.0(5) . . ?
C00N C00H C00X 125.7(5) . . ?
C00I C00H C00X 108.2(5) . . ?
C01E C00I C00H 108.4(5) . . ?
C01E C00I Ge01 129.8(4) . . ?
C00H C00I Ge01 121.6(4) . . ?
C00L C00J C00T 107.9(5) . . ?
C00L C00J Ge01 132.2(4) . . ?
C00T C00J Ge01 119.8(4) . . ?
C01F C00K C00L 124.6(5) . . ?
C01F C00K C019 128.4(5) . . ?
C00L C00K C019 107.0(5) . . ?
C00J C00L C00K 110.5(5) . . ?
C00S C00M C00O 125.3(5) . . ?
C00S C00M C00R 128.9(5) . . ?
C00O C00M C00R 105.8(5) . . ?
C00H C00N C00T 124.9(5) . . ?
C01C C00O C016 127.0(5) . . ?
C01C C00O C00M 124.8(5) . . ?
C016 C00O C00M 108.0(5) . . ?
C01C C00P C014 125.8(5) . . ?
C01C C00P C01P 126.0(5) . . ?
C014 C00P C01P 107.9(5) . . ?
C016 C00Q C00R 109.6(5) . . ?
C013 C00R C00Q 124.2(5) . . ?
C013 C00R C00M 127.8(6) . . ?
C00Q C00R C00M 108.0(5) . . ?
C00M C00S C01K 127.5(6) . . ?
C00N C00T C019 125.0(5) . . ?
C00N C00T C00J 127.2(5) . . ?
C019 C00T C00J 107.8(4) . . ?
C012 C00U C019 128.6(6) . . ?
C01M C00V C018 128.9(6) . . ?
C01N C00W C01H 125.3(6) . . ?
C01N C00W C014 127.2(6) . . ?
C01H C00W C014 107.5(5) . . ?
C00Y C00X C00H 125.9(5) . . ?
C00Y C00X C00Z 128.1(5) . . ?
C00H C00X C00Z 106.0(4) . . ?
C00X C00Y C018 128.1(6) . . ?
C017 C00Z C01E 124.8(5) . . ?
C017 C00Z C00X 127.5(5) . . ?
C01E C00Z C00X 107.7(5) . . ?
C014 C010 C01B 127.5(5) . . ?
C01I C012 C00U 129.1(6) . . ?
C01A C013 C00R 128.1(6) . . ?
C010 C014 C00P 125.4(5) . . ?
C010 C014 C00W 128.5(5) . . ?
C00P C014 C00W 106.1(5) . . ?
C00Q C016 C00O 108.6(5) . . ?
C00Q C016 Ge02 131.2(4) . . ?
C00O C016 Ge02 120.2(4) . . ?
C01M C017 C00Z 128.6(6) . . ?
C00Y C018 C00V 129.4(6) . . ?
C00U C019 C00T 125.9(5) . . ?
C00U C019 C00K 127.4(5) . . ?
C00T C019 C00K 106.7(5) . . ?
C013 C01A C01D 129.0(6) . . ?
C01L C01B C010 129.5(6) . . ?
C00P C01C C00O 125.2(5) . . ?
C01A C01D C01K 128.7(6) . . ?
C00I C01E C00Z 109.6(5) . . ?
C00K C01F C01G 128.2(6) . . ?
C01I C01G C01F 128.6(6) . . ?
C01P C01H C00W 110.3(5) . . ?
C01G C01I C012 129.5(5) . . ?
C01N C01J C01L 129.3(6) . . ?
C00S C01K C01D 129.9(6) . . ?
C01B C01L C01J 129.3(6) . . ?
C017 C01M C00V 129.3(6) . . ?
C01J C01N C00W 128.6(6) . . ?
C01H C01P C00P 108.2(5) . . ?
C01H C01P Ge02 130.9(5) . . ?
C00P C01P Ge02 120.9(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
Ge01 C015 1.937(5) . ?
Ge01 C00I 1.942(5) . ?
Ge01 C011 1.946(6) . ?
Ge01 C00J 1.949(5) . ?
Ge02 C01O 1.939(8) . ?
Ge02 C01P 1.941(6) . ?
Ge02 C016 1.946(6) . ?
Ge02 C01Q 1.947(8) . ?
P003 F00C 1.587(5) . ?
P003 F006 1.587(4) . ?
P003 F00B 1.590(4) . ?
P003 F008 1.591(5) . ?
P003 F007 1.598(4) . ?
P003 F005 1.607(4) . ?
P004 F00G 1.581(5) . ?
P004 F00F 1.592(4) . ?
P004 F00E 1.594(4) . ?
P004 F009 1.596(5) . ?
P004 F00A 1.597(5) . ?
P004 F00D 1.600(5) . ?
C00H C00N 1.397(7) . ?
C00H C00I 1.442(7) . ?
C00H C00X 1.452(7) . ?
C00I C01E 1.387(7) . ?
C00J C00L 1.371(8) . ?
C00J C00T 1.457(7) . ?
C00K C01F 1.385(8) . ?
C00K C00L 1.427(7) . ?
C00K C019 1.457(8) . ?
C00M C00S 1.377(8) . ?
C00M C00O 1.446(8) . ?
C00M C00R 1.448(8) . ?
C00N C00T 1.397(8) . ?
C00O C01C 1.405(8) . ?
C00O C016 1.439(8) . ?
C00P C01C 1.397(8) . ?
C00P C014 1.434(8) . ?
C00P C01P 1.447(8) . ?
C00Q C016 1.372(9) . ?
C00Q C00R 1.424(9) . ?
C00R C013 1.403(8) . ?
C00S C01K 1.387(8) . ?
C00T C019 1.435(7) . ?
C00U C012 1.391(8) . ?
C00U C019 1.391(8) . ?
C00V C01M 1.386(10) . ?
C00V C018 1.397(9) . ?
C00W C01N 1.396(9) . ?
C00W C01H 1.413(9) . ?
C00W C014 1.461(8) . ?
C00X C00Y 1.385(8) . ?
C00X C00Z 1.459(8) . ?
C00Y C018 1.386(9) . ?
C00Z C017 1.405(8) . ?
C00Z C01E 1.433(8) . ?
C010 C014 1.388(8) . ?
C010 C01B 1.393(8) . ?
C012 C01I 1.387(9) . ?
C013 C01A 1.386(9) . ?
C017 C01M 1.370(9) . ?
C01A C01D 1.390(10) . ?
C01B C01L 1.381(9) . ?
C01D C01K 1.393(9) . ?
C01F C01G 1.409(8) . ?
C01G C01I 1.380(9) . ?
C01H C01P 1.371(9) . ?
C01J C01N 1.374(10) . ?
C01J C01L 1.386(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
C00N C00H C00I C01E -177.1(5) . . . . ?
C00X C00H C00I C01E 0.8(6) . . . . ?
C00N C00H C00I Ge01 5.8(8) . . . . ?
C00X C00H C00I Ge01 -176.3(4) . . . . ?
C00T C00J C00L C00K 1.8(6) . . . . ?
Ge01 C00J C00L C00K -173.8(4) . . . . ?
C01F C00K C00L C00J -179.9(5) . . . . ?
C019 C00K C00L C00J -0.1(6) . . . . ?
C00I C00H C00N C00T 5.9(9) . . . . ?
C00X C00H C00N C00T -171.6(5) . . . . ?
C00S C00M C00O C01C -6.4(9) . . . . ?
C00R C00M C00O C01C 174.4(5) . . . . ?
C00S C00M C00O C016 179.3(5) . . . . ?
C00R C00M C00O C016 0.2(6) . . . . ?
C016 C00Q C00R C013 -179.3(5) . . . . ?
C016 C00Q C00R C00M 0.9(6) . . . . ?
C00S C00M C00R C013 0.5(9) . . . . ?
C00O C00M C00R C013 179.6(5) . . . . ?
C00S C00M C00R C00Q -179.7(5) . . . . ?
C00O C00M C00R C00Q -0.6(6) . . . . ?
C00O C00M C00S C01K -177.6(6) . . . . ?
C00R C00M C00S C01K 1.4(10) . . . . ?
C00H C00N C00T C019 172.8(5) . . . . ?
C00H C00N C00T C00J -3.7(9) . . . . ?
C00L C00J C00T C00N 174.3(5) . . . . ?
Ge01 C00J C00T C00N -9.6(7) . . . . ?
C00L C00J C00T C019 -2.7(6) . . . . ?
Ge01 C00J C00T C019 173.5(3) . . . . ?
C00N C00H C00X C00Y -2.3(9) . . . . ?
C00I C00H C00X C00Y 179.8(5) . . . . ?
C00N C00H C00X C00Z 177.0(5) . . . . ?
C00I C00H C00X C00Z -0.9(6) . . . . ?
C00H C00X C00Y C018 -179.0(6) . . . . ?
C00Z C00X C00Y C018 1.8(11) . . . . ?
C00Y C00X C00Z C017 1.2(10) . . . . ?
C00H C00X C00Z C017 -178.1(5) . . . . ?
C00Y C00X C00Z C01E 179.9(6) . . . . ?
C00H C00X C00Z C01E 0.6(6) . . . . ?
C019 C00U C012 C01I 4.1(10) . . . . ?
C00Q C00R C013 C01A 178.2(6) . . . . ?
C00M C00R C013 C01A -2.0(9) . . . . ?
C01B C010 C014 C00P -177.8(6) . . . . ?
C01B C010 C014 C00W 2.2(10) . . . . ?
C01C C00P C014 C010 6.8(9) . . . . ?
C01P C00P C014 C010 -178.5(5) . . . . ?
C01C C00P C014 C00W -173.2(5) . . . . ?
C01P C00P C014 C00W 1.5(6) . . . . ?
C01N C00W C014 C010 -2.6(10) . . . . ?
C01H C00W C014 C010 178.3(6) . . . . ?
C01N C00W C014 C00P 177.4(6) . . . . ?
C01H C00W C014 C00P -1.7(6) . . . . ?
C00R C00Q C016 C00O -0.7(7) . . . . ?
C00R C00Q C016 Ge02 177.9(4) . . . . ?
C01C C00O C016 C00Q -173.8(5) . . . . ?
C00M C00O C016 C00Q 0.4(6) . . . . ?
C01C C00O C016 Ge02 7.4(8) . . . . ?
C00M C00O C016 Ge02 -178.5(4) . . . . ?
C01E C00Z C017 C01M 179.6(6) . . . . ?
C00X C00Z C017 C01M -1.9(10) . . . . ?
C00X C00Y C018 C00V -2.5(12) . . . . ?
C01M C00V C018 C00Y -0.2(12) . . . . ?
C012 C00U C019 C00T 175.8(5) . . . . ?
C012 C00U C019 C00K -3.4(10) . . . . ?
C00N C00T C019 C00U 6.2(9) . . . . ?
C00J C00T C019 C00U -176.7(5) . . . . ?
C00N C00T C019 C00K -174.5(5) . . . . ?
C00J C00T C019 C00K 2.6(6) . . . . ?
C01F C00K C019 C00U -2.5(9) . . . . ?
C00L C00K C019 C00U 177.7(5) . . . . ?
C01F C00K C019 C00T 178.2(5) . . . . ?
C00L C00K C019 C00T -1.5(6) . . . . ?
C00R C013 C01A C01D 0.4(10) . . . . ?
C014 C010 C01B C01L 0.3(11) . . . . ?
C014 C00P C01C C00O 170.8(5) . . . . ?
C01P C00P C01C C00O -3.0(9) . . . . ?
C016 C00O C01C C00P 3.6(9) . . . . ?
C00M C00O C01C C00P -169.6(5) . . . . ?
C013 C01A C01D C01K 2.2(11) . . . . ?
C00H C00I C01E C00Z -0.4(6) . . . . ?
Ge01 C00I C01E C00Z 176.4(4) . . . . ?
C017 C00Z C01E C00I 178.7(5) . . . . ?
C00X C00Z C01E C00I -0.1(6) . . . . ?
C00L C00K C01F C01G -175.4(5) . . . . ?
C019 C00K C01F C01G 4.9(10) . . . . ?
C00K C01F C01G C01I -0.5(10) . . . . ?
C01N C00W C01H C01P -177.9(6) . . . . ?
C014 C00W C01H C01P 1.3(7) . . . . ?
C01F C01G C01I C012 -3.7(10) . . . . ?
C00U C012 C01I C01G 1.0(11) . . . . ?
C00M C00S C01K C01D -0.4(11) . . . . ?
C01A C01D C01K C00S -2.1(11) . . . . ?
C010 C01B C01L C01J -1.8(12) . . . . ?
C01N C01J C01L C01B 0.6(12) . . . . ?
C00Z C017 C01M C00V -0.6(11) . . . . ?
C018 C00V C01M C017 2.3(12) . . . . ?
C01L C01J C01N C00W 0.5(12) . . . . ?
C01H C00W C01N C01J 179.6(7) . . . . ?
C014 C00W C01N C01J 0.6(11) . . . . ?
C00W C01H C01P C00P -0.3(7) . . . . ?
C00W C01H C01P Ge02 -177.5(5) . . . . ?
C01C C00P C01P C01H 174.0(6) . . . . ?
C014 C00P C01P C01H -0.8(7) . . . . ?
C01C C00P C01P Ge02 -8.5(8) . . . . ?
C014 C00P C01P Ge02 176.8(4) . . . . ?
