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#$Date: 2022-05-09 00:02:07 +0300 (Mon, 09 May 2022) $
#$Revision: 275214 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/81/4128197.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_4128197
loop_
_publ_author_name
'Sugahara, Tomohiro'
'Guo, Jing-Dong'
'Hashizume, Daisuke'
'Sasamori, Takahiro'
'Tokitoh, Norihiro'
_publ_section_title
;
 Reversible Isomerizations between 1,4-Digermabenzenes and
 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.
;
_journal_issue                   6
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2263
_journal_page_last               2267
_journal_paper_doi               10.1021/jacs.9b00129
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety         C76H118Ge2Si8
_chemical_formula_sum            'C76 H118 Ge2 Si8'
_chemical_formula_weight         1401.72
_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
_cell_angle_alpha                95.899(4)
_cell_angle_beta                 105.824(4)
_cell_angle_gamma                106.200(3)
_cell_formula_units_Z            1
_cell_length_a                   11.4109(9)
_cell_length_b                   11.6276(10)
_cell_length_c                   16.4067(13)
_cell_measurement_reflns_used    34015
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      26.499
_cell_measurement_theta_min      1.315
_cell_volume                     1973.2(3)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_molecular_graphics
'-Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_publication_material
' Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0642
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.967
_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       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34015
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.499
_diffrn_reflns_theta_min         1.315
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.922
_exptl_absorpt_correction_T_max  0.973
_exptl_absorpt_correction_T_min  0.947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 MULABS - Empirical Correction for Absorption Anisotropy
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_description       plate
_exptl_crystal_F_000             750
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.430
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         7914
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0465
_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/[?²(Fo²)+(0.0188P)²+3.0131P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0935
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6328
_reflns_number_total             7914
_reflns_threshold_expression     'I > 2?(I)'
_cod_data_source_file            ja9b00129_si_003.cif
_cod_data_source_block           compound07
_cod_database_code               4128197
_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   0.947
_shelx_estimated_absorpt_t_max   0.973
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
Ge01 Ge 0.53452(3) 0.53941(3) 0.60863(2) 0.01682(8) Uani 1 1 d . .
Si02 Si 0.27248(8) 0.71715(8) 0.71775(5) 0.02195(19) Uani 1 1 d . .
Si03 Si 0.84405(8) 0.46920(8) 0.79734(5) 0.0237(2) Uani 1 1 d . .
Si04 Si 0.45664(8) 0.87774(8) 0.62239(6) 0.02358(19) Uani 1 1 d . .
Si05 Si 0.61469(8) 0.38597(8) 0.87746(5) 0.02288(19) Uani 1 1 d . .
C006 C 0.5242(3) 0.7189(3) 0.74029(18) 0.0181(6) Uani 1 1 d . .
C007 C 0.3592(3) 0.3749(3) 0.45057(18) 0.0172(6) Uani 1 1 d . .
C008 C 0.3845(3) 0.4180(3) 0.53894(18) 0.0182(6) Uani 1 1 d . .
C009 C 0.2499(3) 0.2626(3) 0.40279(18) 0.0182(6) Uani 1 1 d . .
C00A C 0.6478(3) 0.5879(3) 0.79685(18) 0.0185(6) Uani 1 1 d . .
C00B C 0.5641(3) 0.6161(3) 0.72671(18) 0.0171(6) Uani 1 1 d . .
C00C C 0.7014(3) 0.6719(3) 0.87508(18) 0.0198(6) Uani 1 1 d . .
H1 H 0.7590 0.6539 0.9221 0.024 Uiso 1 1 calc R U
C00D C 0.2876(3) 0.3665(3) 0.58244(18) 0.0190(6) Uani 1 1 d . .
C00E C 0.5823(3) 0.7990(3) 0.81951(18) 0.0187(6) Uani 1 1 d . .
H2 H 0.5580 0.8701 0.8278 0.022 Uiso 1 1 calc R U
C00F C 0.6742(3) 0.7798(3) 0.88696(18) 0.0199(6) Uani 1 1 d . .
C00G C 0.1756(3) 0.2509(3) 0.31738(19) 0.0207(6) Uani 1 1 d . .
H3 H 0.1948 0.3168 0.2882 0.025 Uiso 1 1 calc R U
C00H C 0.3141(3) 0.3059(3) 0.65069(19) 0.0216(6) Uani 1 1 d . .
H4 H 0.3977 0.2997 0.6729 0.026 Uiso 1 1 calc R U
C00I C 0.2197(3) 0.2544(3) 0.6867(2) 0.0256(7) Uani 1 1 d . .
H5 H 0.2387 0.2120 0.7325 0.031 Uiso 1 1 calc R U
C00J C 0.6747(3) 0.4664(3) 0.79417(19) 0.0199(6) Uani 1 1 d . .
H58 H 0.6170 0.4153 0.7369 0.024 Uiso 1 1 calc R U
C00K C 0.4142(3) 0.7398(3) 0.67434(18) 0.0188(6) Uani 1 1 d . .
H59 H 0.3852 0.6685 0.6257 0.023 Uiso 1 1 calc R U
C00L C 0.6249(3) 0.9772(3) 0.6798(2) 0.0267(7) Uani 1 1 d . .
H13 H 0.6825 0.9276 0.6856 0.040 Uiso 1 1 calc R U
H14 H 0.6307 1.0161 0.7373 0.040 Uiso 1 1 calc R U
H15 H 0.6503 1.0401 0.6469 0.040 Uiso 1 1 calc R U
C00M C 0.2201(3) 0.1614(3) 0.44168(19) 0.0223(7) Uani 1 1 d . .
H6 H 0.2712 0.1644 0.4988 0.027 Uiso 1 1 calc R U
C00N C 0.9663(3) 0.6121(3) 0.8683(2) 0.0304(8) Uani 1 1 d . .
H16 H 1.0516 0.6157 0.8648 0.046 Uiso 1 1 calc R U
H17 H 0.9665 0.6126 0.9281 0.046 Uiso 1 1 calc R U
H18 H 0.9450 0.6831 0.8493 0.046 Uiso 1 1 calc R U
C00O C 0.0713(3) 0.3255(3) 0.58937(19) 0.0245(7) Uani 1 1 d . .
H7 H -0.0119 0.3332 0.5686 0.029 Uiso 1 1 calc R U
C00P C 0.8546(3) 0.4517(3) 0.6853(2) 0.0284(7) Uani 1 1 d . .
H19 H 0.9435 0.4605 0.6877 0.043 Uiso 1 1 calc R U
H20 H 0.8277 0.5146 0.6572 0.043 Uiso 1 1 calc R U
H21 H 0.7982 0.3708 0.6523 0.043 Uiso 1 1 calc R U
C00Q C 0.1644(3) 0.3758(3) 0.55233(18) 0.0211(6) Uani 1 1 d . .
H8 H 0.1442 0.4170 0.5059 0.025 Uiso 1 1 calc R U
C00R C 0.1183(3) 0.0572(3) 0.3989(2) 0.0265(7) Uani 1 1 d . .
H9 H 0.0990 -0.0094 0.4275 0.032 Uiso 1 1 calc R U
C00S C 0.0987(3) 0.2643(3) 0.6563(2) 0.0271(7) Uani 1 1 d . .
H10 H 0.0344 0.2294 0.6813 0.033 Uiso 1 1 calc R U
C00T C 0.4688(3) 0.4206(3) 0.8871(2) 0.0269(7) Uani 1 1 d . .
H22 H 0.4321 0.3702 0.9240 0.040 Uiso 1 1 calc R U
H23 H 0.4052 0.4029 0.8297 0.040 Uiso 1 1 calc R U
H24 H 0.4923 0.5071 0.9128 0.040 Uiso 1 1 calc R U
C00U C 0.2616(3) 0.5835(3) 0.7716(2) 0.0261(7) Uani 1 1 d . .
H25 H 0.1817 0.5619 0.7865 0.039 Uiso 1 1 calc R U
H26 H 0.3353 0.6039 0.8242 0.039 Uiso 1 1 calc R U
H27 H 0.2619 0.5142 0.7324 0.039 Uiso 1 1 calc R U
C00V C 0.1233(3) 0.6862(3) 0.6255(2) 0.0300(8) Uani 1 1 d . .
H28 H 0.1118 0.6134 0.5845 0.045 Uiso 1 1 calc R U
H29 H 0.1301 0.7563 0.5966 0.045 Uiso 1 1 calc R U
H30 H 0.0492 0.6725 0.6469 0.045 Uiso 1 1 calc R U
C00W C 0.0440(3) 0.0486(3) 0.3150(2) 0.0279(7) Uani 1 1 d . .
H11 H -0.0267 -0.0228 0.2860 0.034 Uiso 1 1 calc R U
C00X C 0.8282(3) 0.8341(3) 1.0407(2) 0.0318(8) Uani 1 1 d . .
H31 H 0.8963 0.8194 1.0196 0.048 Uiso 1 1 calc R U
H32 H 0.7794 0.7587 1.0540 0.048 Uiso 1 1 calc R U
H33 H 0.8667 0.8979 1.0930 0.048 Uiso 1 1 calc R U
C00Y C 0.0744(3) 0.1454(3) 0.2741(2) 0.0270(7) Uani 1 1 d . .
H12 H 0.0257 0.1398 0.2159 0.032 Uiso 1 1 calc R U
C00Z C 0.7380(3) 0.8753(3) 0.97120(19) 0.0260(7) Uani 1 1 d . .
C010 C 0.5716(4) 0.2178(3) 0.8405(2) 0.0345(8) Uani 1 1 d . .
H34 H 0.5276 0.1744 0.8774 0.052 Uiso 1 1 calc R U
H35 H 0.6500 0.1967 0.8441 0.052 Uiso 1 1 calc R U
H36 H 0.5146 0.1940 0.7806 0.052 Uiso 1 1 calc R U
C011 C 0.7348(3) 0.4329(3) 0.9885(2) 0.0319(8) Uani 1 1 d . .
H37 H 0.7326 0.5102 1.0170 0.048 Uiso 1 1 calc R U
H38 H 0.8210 0.4432 0.9843 0.048 Uiso 1 1 calc R U
H39 H 0.7135 0.3698 1.0222 0.048 Uiso 1 1 calc R U
C012 C 0.4320(3) 0.8172(3) 0.5073(2) 0.0317(8) Uani 1 1 d . .
H40 H 0.4574 0.8853 0.4784 0.048 Uiso 1 1 calc R U
H41 H 0.3411 0.7703 0.4786 0.048 Uiso 1 1 calc R U
H42 H 0.4846 0.7641 0.5044 0.048 Uiso 1 1 calc R U
C013 C 0.2862(3) 0.8490(3) 0.7996(2) 0.0347(8) Uani 1 1 d . .
H43 H 0.2091 0.8304 0.8179 0.052 Uiso 1 1 calc R U
H44 H 0.2943 0.9222 0.7740 0.052 Uiso 1 1 calc R U
H45 H 0.3623 0.8633 0.8498 0.052 Uiso 1 1 calc R U
C014 C 0.8883(3) 0.3371(3) 0.8376(2) 0.0363(9) Uani 1 1 d . .
H46 H 0.8311 0.2609 0.7980 0.054 Uiso 1 1 calc R U
H47 H 0.8793 0.3349 0.8952 0.054 Uiso 1 1 calc R U
H48 H 0.9775 0.3465 0.8407 0.054 Uiso 1 1 calc R U
C015 C 0.3506(3) 0.9755(3) 0.6205(2) 0.0359(8) Uani 1 1 d . .
H49 H 0.3789 1.0445 0.5931 0.054 Uiso 1 1 calc R U
H50 H 0.3559 1.0061 0.6798 0.054 Uiso 1 1 calc R U
H51 H 0.2615 0.9269 0.5877 0.054 Uiso 1 1 calc R U
C016 C 0.8156(3) 0.9935(3) 0.9520(2) 0.0376(9) Uani 1 1 d . .
H52 H 0.8820 0.9783 0.9293 0.056 Uiso 1 1 calc R U
H53 H 0.8563 1.0555 1.0052 0.056 Uiso 1 1 calc R U
H54 H 0.7582 1.0227 0.9091 0.056 Uiso 1 1 calc R U
C017 C 0.6340(3) 0.8986(4) 1.0065(2) 0.0377(9) Uani 1 1 d . .
H55 H 0.6747 0.9542 1.0627 0.057 Uiso 1 1 calc R U
H56 H 0.5790 0.8211 1.0133 0.057 Uiso 1 1 calc R U
H57 H 0.5818 0.9353 0.9663 0.057 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
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'
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'
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
C008 Ge01 C007 115.47(12) . 2_666
C008 Ge01 C00B 125.31(12) . .
C007 Ge01 C00B 116.49(12) 2_666 .
C00U Si02 C00V 109.73(15) . .
C00U Si02 C013 106.91(16) . .
C00V Si02 C013 108.95(16) . .
C00U Si02 C00K 107.80(13) . .
C00V Si02 C00K 108.65(14) . .
C013 Si02 C00K 114.72(15) . .
C00N Si03 C00P 111.66(15) . .
C00N Si03 C014 107.55(16) . .
C00P Si03 C014 103.33(16) . .
C00N Si03 C00J 110.63(14) . .
C00P Si03 C00J 109.88(14) . .
C014 Si03 C00J 113.60(15) . .
C00L Si04 C012 112.25(15) . .
C00L Si04 C015 107.31(16) . .
C012 Si04 C015 105.93(16) . .
C00L Si04 C00K 110.42(14) . .
C012 Si04 C00K 106.40(15) . .
C015 Si04 C00K 114.55(15) . .
C00T Si05 C010 108.72(16) . .
C00T Si05 C011 106.48(15) . .
C010 Si05 C011 109.22(16) . .
C00T Si05 C00J 110.34(14) . .
C010 Si05 C00J 108.34(14) . .
C011 Si05 C00J 113.63(15) . .
C00E C006 C00B 118.6(3) . .
C00E C006 C00K 119.0(3) . .
C00B C006 C00K 122.3(3) . .
C008 C007 C009 121.1(3) . .
C008 C007 Ge01 119.5(2) . 2_666
C009 C007 Ge01 119.4(2) . 2_666
C007 C008 C00D 119.9(3) . .
C007 C008 Ge01 124.1(2) . .
C00D C008 Ge01 116.0(2) . .
C00G C009 C00M 116.8(3) . .
C00G C009 C007 122.5(3) . .
C00M C009 C007 120.6(3) . .
C00C C00A C00B 118.4(3) . .
C00C C00A C00J 117.9(3) . .
C00B C00A C00J 123.5(3) . .
C006 C00B C00A 119.4(3) . .
C006 C00B Ge01 118.4(2) . .
C00A C00B Ge01 120.7(2) . .
C00F C00C C00A 122.8(3) . .
C00F C00C H1 118.6 . .
C00A C00C H1 118.6 . .
C00H C00D C00Q 118.2(3) . .
C00H C00D C008 122.5(3) . .
C00Q C00D C008 119.3(3) . .
C00F C00E C006 122.9(3) . .
C00F C00E H2 118.6 . .
C006 C00E H2 118.6 . .
C00C C00F C00E 117.2(3) . .
C00C C00F C00Z 123.0(3) . .
C00E C00F C00Z 119.7(3) . .
C00Y C00G C009 121.6(3) . .
C00Y C00G H3 119.2 . .
C009 C00G H3 119.2 . .
C00I C00H C00D 120.8(3) . .
C00I C00H H4 119.6 . .
C00D C00H H4 119.6 . .
C00S C00I C00H 120.4(3) . .
C00S C00I H5 119.8 . .
C00H C00I H5 119.8 . .
C00A C00J Si05 108.70(19) . .
C00A C00J Si03 117.1(2) . .
Si05 C00J Si03 114.07(15) . .
C00A C00J H58 105.3 . .
Si05 C00J H58 105.3 . .
Si03 C00J H58 105.3 . .
C006 C00K Si04 116.5(2) . .
C006 C00K Si02 108.91(19) . .
Si04 C00K Si02 117.39(15) . .
C006 C00K H59 104.1 . .
Si04 C00K H59 104.1 . .
Si02 C00K H59 104.1 . .
Si04 C00L H13 109.5 . .
Si04 C00L H14 109.5 . .
H13 C00L H14 109.5 . .
Si04 C00L H15 109.5 . .
H13 C00L H15 109.5 . .
H14 C00L H15 109.5 . .
C00R C00M C009 121.5(3) . .
C00R C00M H6 119.3 . .
C009 C00M H6 119.3 . .
Si03 C00N H16 109.5 . .
Si03 C00N H17 109.5 . .
H16 C00N H17 109.5 . .
Si03 C00N H18 109.5 . .
H16 C00N H18 109.5 . .
H17 C00N H18 109.5 . .
C00S C00O C00Q 120.4(3) . .
C00S C00O H7 119.8 . .
C00Q C00O H7 119.8 . .
Si03 C00P H19 109.5 . .
Si03 C00P H20 109.5 . .
H19 C00P H20 109.5 . .
Si03 C00P H21 109.5 . .
H19 C00P H21 109.5 . .
H20 C00P H21 109.5 . .
C00O C00Q C00D 120.7(3) . .
C00O C00Q H8 119.7 . .
C00D C00Q H8 119.7 . .
C00M C00R C00W 120.7(3) . .
C00M C00R H9 119.6 . .
C00W C00R H9 119.6 . .
C00I C00S C00O 119.6(3) . .
C00I C00S H10 120.2 . .
C00O C00S H10 120.2 . .
Si05 C00T H22 109.5 . .
Si05 C00T H23 109.5 . .
H22 C00T H23 109.5 . .
Si05 C00T H24 109.5 . .
H22 C00T H24 109.5 . .
H23 C00T H24 109.5 . .
Si02 C00U H25 109.5 . .
Si02 C00U H26 109.5 . .
H25 C00U H26 109.5 . .
Si02 C00U H27 109.5 . .
H25 C00U H27 109.5 . .
H26 C00U H27 109.5 . .
Si02 C00V H28 109.5 . .
Si02 C00V H29 109.5 . .
H28 C00V H29 109.5 . .
Si02 C00V H30 109.5 . .
H28 C00V H30 109.5 . .
H29 C00V H30 109.5 . .
C00Y C00W C00R 118.9(3) . .
C00Y C00W H11 120.5 . .
C00R C00W H11 120.5 . .
C00Z C00X H31 109.5 . .
C00Z C00X H32 109.5 . .
H31 C00X H32 109.5 . .
C00Z C00X H33 109.5 . .
H31 C00X H33 109.5 . .
H32 C00X H33 109.5 . .
C00W C00Y C00G 120.4(3) . .
C00W C00Y H12 119.8 . .
C00G C00Y H12 119.8 . .
C00X C00Z C016 108.6(3) . .
C00X C00Z C017 108.0(3) . .
C016 C00Z C017 109.7(3) . .
C00X C00Z C00F 112.4(3) . .
C016 C00Z C00F 108.7(3) . .
C017 C00Z C00F 109.4(3) . .
Si05 C010 H34 109.5 . .
Si05 C010 H35 109.5 . .
H34 C010 H35 109.5 . .
Si05 C010 H36 109.5 . .
H34 C010 H36 109.5 . .
H35 C010 H36 109.5 . .
Si05 C011 H37 109.5 . .
Si05 C011 H38 109.5 . .
H37 C011 H38 109.5 . .
Si05 C011 H39 109.5 . .
H37 C011 H39 109.5 . .
H38 C011 H39 109.5 . .
Si04 C012 H40 109.5 . .
Si04 C012 H41 109.5 . .
H40 C012 H41 109.5 . .
Si04 C012 H42 109.5 . .
H40 C012 H42 109.5 . .
H41 C012 H42 109.5 . .
Si02 C013 H43 109.5 . .
Si02 C013 H44 109.5 . .
H43 C013 H44 109.5 . .
Si02 C013 H45 109.5 . .
H43 C013 H45 109.5 . .
H44 C013 H45 109.5 . .
Si03 C014 H46 109.5 . .
Si03 C014 H47 109.5 . .
H46 C014 H47 109.5 . .
Si03 C014 H48 109.5 . .
H46 C014 H48 109.5 . .
H47 C014 H48 109.5 . .
Si04 C015 H49 109.5 . .
Si04 C015 H50 109.5 . .
H49 C015 H50 109.5 . .
Si04 C015 H51 109.5 . .
H49 C015 H51 109.5 . .
H50 C015 H51 109.5 . .
C00Z C016 H52 109.5 . .
C00Z C016 H53 109.5 . .
H52 C016 H53 109.5 . .
C00Z C016 H54 109.5 . .
H52 C016 H54 109.5 . .
H53 C016 H54 109.5 . .
C00Z C017 H55 109.5 . .
C00Z C017 H56 109.5 . .
H55 C017 H56 109.5 . .
C00Z C017 H57 109.5 . .
H55 C017 H57 109.5 . .
H56 C017 H57 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge01 C008 1.866(3) .
Ge01 C007 1.891(3) 2_666
Ge01 C00B 1.945(3) .
Si02 C00U 1.856(3) .
Si02 C00V 1.860(3) .
Si02 C013 1.872(3) .
Si02 C00K 1.903(3) .
Si03 C00N 1.867(3) .
Si03 C00P 1.868(3) .
Si03 C014 1.873(3) .
Si03 C00J 1.910(3) .
Si04 C00L 1.861(3) .
Si04 C012 1.862(3) .
Si04 C015 1.874(3) .
Si04 C00K 1.899(3) .
Si05 C00T 1.862(3) .
Si05 C010 1.869(4) .
Si05 C011 1.873(3) .
Si05 C00J 1.904(3) .
C006 C00E 1.390(4) .
C006 C00B 1.411(4) .
C006 C00K 1.513(4) .
C007 C008 1.406(4) .
C007 C009 1.491(4) .
C007 Ge01 1.890(3) 2_666
C008 C00D 1.497(4) .
C009 C00G 1.396(4) .
C009 C00M 1.399(4) .
C00A C00C 1.398(4) .
C00A C00B 1.413(4) .
C00A C00J 1.526(4) .
C00C C00F 1.382(4) .
C00C H1 0.9500 .
C00D C00H 1.392(4) .
C00D C00Q 1.396(4) .
C00E C00F 1.387(4) .
C00E H2 0.9500 .
C00F C00Z 1.535(4) .
C00G C00Y 1.388(4) .
C00G H3 0.9500 .
C00H C00I 1.388(4) .
C00H H4 0.9500 .
C00I C00S 1.376(4) .
C00I H5 0.9500 .
C00J H58 1.0000 .
C00K H59 1.0000 .
C00L H13 0.9800 .
C00L H14 0.9800 .
C00L H15 0.9800 .
C00M C00R 1.381(4) .
C00M H6 0.9500 .
C00N H16 0.9800 .
C00N H17 0.9800 .
C00N H18 0.9800 .
C00O C00S 1.382(4) .
C00O C00Q 1.385(4) .
C00O H7 0.9500 .
C00P H19 0.9800 .
C00P H20 0.9800 .
C00P H21 0.9800 .
C00Q H8 0.9500 .
C00R C00W 1.383(4) .
C00R H9 0.9500 .
C00S H10 0.9500 .
C00T H22 0.9800 .
C00T H23 0.9800 .
C00T H24 0.9800 .
C00U H25 0.9800 .
C00U H26 0.9800 .
C00U H27 0.9800 .
C00V H28 0.9800 .
C00V H29 0.9800 .
C00V H30 0.9800 .
C00W C00Y 1.379(4) .
C00W H11 0.9500 .
C00X C00Z 1.528(4) .
C00X H31 0.9800 .
C00X H32 0.9800 .
C00X H33 0.9800 .
C00Y H12 0.9500 .
C00Z C016 1.529(5) .
C00Z C017 1.529(4) .
C010 H34 0.9800 .
C010 H35 0.9800 .
C010 H36 0.9800 .
C011 H37 0.9800 .
C011 H38 0.9800 .
C011 H39 0.9800 .
C012 H40 0.9800 .
C012 H41 0.9800 .
C012 H42 0.9800 .
C013 H43 0.9800 .
C013 H44 0.9800 .
C013 H45 0.9800 .
C014 H46 0.9800 .
C014 H47 0.9800 .
C014 H48 0.9800 .
C015 H49 0.9800 .
C015 H50 0.9800 .
C015 H51 0.9800 .
C016 H52 0.9800 .
C016 H53 0.9800 .
C016 H54 0.9800 .
C017 H55 0.9800 .
C017 H56 0.9800 .
C017 H57 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
_geom_torsion_site_symmetry_1
C009 C007 C008 C00D -12.0(4) .
Ge01 C007 C008 C00D 168.1(2) 2_666
C009 C007 C008 Ge01 168.3(2) .
Ge01 C007 C008 Ge01 -11.6(3) 2_666
C007 Ge01 C008 C007 11.2(3) 2_666
C00B Ge01 C008 C007 171.7(2) .
C007 Ge01 C008 C00D -168.5(2) 2_666
C00B Ge01 C008 C00D -8.0(3) .
C008 C007 C009 C00G 143.0(3) .
Ge01 C007 C009 C00G -37.1(4) 2_666
C008 C007 C009 C00M -39.3(4) .
Ge01 C007 C009 C00M 140.7(2) 2_666
C00E C006 C00B C00A 8.8(4) .
C00K C006 C00B C00A -166.6(3) .
C00E C006 C00B Ge01 -157.5(2) .
C00K C006 C00B Ge01 27.1(4) .
C00C C00A C00B C006 -8.1(4) .
C00J C00A C00B C006 166.9(3) .
C00C C00A C00B Ge01 157.9(2) .
C00J C00A C00B Ge01 -27.1(4) .
C00B C00A C00C C00F 1.2(4) .
C00J C00A C00C C00F -174.1(3) .
C007 C008 C00D C00H 118.7(3) .
Ge01 C008 C00D C00H -61.6(3) .
C007 C008 C00D C00Q -59.4(4) .
Ge01 C008 C00D C00Q 120.3(3) .
C00B C006 C00E C00F -2.6(4) .
C00K C006 C00E C00F 173.0(3) .
C00A C00C C00F C00E 4.9(4) .
C00A C00C C00F C00Z -176.8(3) .
C006 C00E C00F C00C -4.2(4) .
C006 C00E C00F C00Z 177.5(3) .
C00M C009 C00G C00Y 2.1(4) .
C007 C009 C00G C00Y 179.9(3) .
C00Q C00D C00H C00I 1.1(4) .
C008 C00D C00H C00I -177.0(3) .
C00D C00H C00I C00S -1.2(5) .
C00C C00A C00J Si05 58.4(3) .
C00B C00A C00J Si05 -116.6(3) .
C00C C00A C00J Si03 -72.7(3) .
C00B C00A C00J Si03 112.3(3) .
C00E C006 C00K Si04 70.0(3) .
C00B C006 C00K Si04 -114.6(3) .
C00E C006 C00K Si02 -65.6(3) .
C00B C006 C00K Si02 109.8(3) .
C00L Si04 C00K C006 -10.7(3) .
C012 Si04 C00K C006 111.4(2) .
C015 Si04 C00K C006 -131.9(2) .
C00L Si04 C00K Si02 121.14(17) .
C012 Si04 C00K Si02 -116.81(18) .
C015 Si04 C00K Si02 -0.1(2) .
C00G C009 C00M C00R -3.0(4) .
C007 C009 C00M C00R 179.1(3) .
C00S C00O C00Q C00D -0.6(5) .
C00H C00D C00Q C00O -0.2(4) .
C008 C00D C00Q C00O 177.9(3) .
C009 C00M C00R C00W 1.6(5) .
C00H C00I C00S C00O 0.3(5) .
C00Q C00O C00S C00I 0.5(5) .
C00M C00R C00W C00Y 0.8(5) .
C00R C00W C00Y C00G -1.8(5) .
C009 C00G C00Y C00W 0.3(5) .
C00C C00F C00Z C00X -3.0(4) .
C00E C00F C00Z C00X 175.3(3) .
C00C C00F C00Z C016 117.3(3) .
C00E C00F C00Z C016 -64.5(4) .
C00C C00F C00Z C017 -123.0(3) .
C00E C00F C00Z C017 55.3(4) .
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-05-09T00:01:00+03:00
;
 Replaced the '&#x009D;' sequence with a backslash symbol ('\')
 in the value of the '_diffrn_measurement_method' data item.
;
