#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:25:48 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178564 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/73/4067369.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_4067369
loop_
_publ_author_name
'Yoder, Claude H.'
'Agee, Tamara M.'
'Griffith, Allison K.'
'Schaeffer, Charles D.'
'Carroll, Mary J.'
'DeToma, Alaina S.'
'Fleisher, Adam J.'
'Gettel, Cameron J.'
'Rheingold, Arnold L.'
_publ_section_title
;
 Use of73Ge NMR Spectroscopy and X-ray Crystallography for the Study of
 Electronic Interactions in Substituted Tetrakis(phenyl)-, -(phenoxy)-,
 and -(thiophenoxy)germanes
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              582
_journal_paper_doi               10.1021/om900905c
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C32 H36 Ge O4'
_chemical_formula_weight         557.20
_chemical_name_systematic
; 
 tetrakis(o-ethoxyphenyl)germane 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.7420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6906(12)
_cell_length_b                   12.5077(11)
_cell_length_c                   16.1770(14)
_cell_measurement_reflns_used    5158
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.51
_cell_volume                     2766.9(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9388
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    1.142
_exptl_absorpt_correction_T_max  0.8038
_exptl_absorpt_correction_T_min  0.7404
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.176
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         2530
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0266
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0376P)²+0.3016P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0640
_reflns_number_gt                2258
_reflns_number_total             2530
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900905c_si_001.cif
_cod_data_source_block           schaef9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4067369
loop_
_symmetry_equiv_pos_as_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'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ge1 Ge 0.5000 0.424262(18) 0.2500 0.03094(10) Uani 1 2 d S .
C1A C 0.5353(2) 0.3002(3) 0.1832(2) 0.0345(8) Uani 0.50 1 d P 1
C2A C 0.6330(5) 0.2896(5) 0.1587(4) 0.0331(19) Uani 0.50 1 d P 1
C3A C 0.6633(4) 0.2043(4) 0.1116(3) 0.0452(13) Uani 0.50 1 d P 1
H3AA H 0.7298 0.1986 0.0959 0.054 Uiso 0.50 1 d PR 1
C4A C 0.5935(6) 0.1257(6) 0.0875(4) 0.0482(19) Uani 0.50 1 d P 1
H4AA H 0.6133 0.0664 0.0546 0.058 Uiso 0.50 1 d PR 1
C5A C 0.4979(4) 0.1349(4) 0.1090(3) 0.0518(13) Uani 0.50 1 d P 1
H5AA H 0.4511 0.0812 0.0918 0.062 Uiso 0.50 1 d PR 1
C6A C 0.4705(3) 0.2211(3) 0.1574(2) 0.0419(8) Uani 0.50 1 d P 1
H6AA H 0.4040 0.2268 0.1732 0.050 Uiso 0.50 1 d PR 1
C1B C 0.3617(2) 0.4135(3) 0.2780(2) 0.0312(7) Uani 0.50 1 d P 1
C2B C 0.3325(5) 0.3276(5) 0.3267(3) 0.0273(15) Uani 0.50 1 d P 1
C3B C 0.2357(4) 0.3188(4) 0.3503(3) 0.0402(13) Uani 0.50 1 d P 1
H3BA H 0.2153 0.2589 0.3823 0.048 Uiso 0.50 1 d PR 1
C4B C 0.1685(5) 0.3998(6) 0.3289(5) 0.0430(15) Uani 0.50 1 d P 1
H4BA H 0.1023 0.3956 0.3458 0.052 Uiso 0.50 1 d PR 1
C5B C 0.1974(4) 0.4897(5) 0.2817(4) 0.0459(13) Uani 0.50 1 d P 1
H5BA H 0.1517 0.5453 0.2666 0.055 Uiso 0.50 1 d PR 1
C6B C 0.2937(3) 0.4922(3) 0.2579(2) 0.0370(8) Uani 0.50 1 d P 1
H6BA H 0.3141 0.5521 0.2259 0.044 Uiso 0.50 1 d PR 1
C1C C 0.5812(2) 0.4343(3) 0.3498(2) 0.0321(7) Uani 0.50 1 d P 1
C2C C 0.5707(4) 0.5226(5) 0.4033(3) 0.0251(14) Uani 0.50 1 d P 1
C3C C 0.6267(4) 0.5338(6) 0.4750(5) 0.0368(13) Uani 0.50 1 d P 1
H3CA H 0.6177 0.5946 0.5101 0.044 Uiso 0.50 1 d PR 1
C4C C 0.6988(5) 0.4590(6) 0.4962(5) 0.0438(17) Uani 0.50 1 d P 1
H4CA H 0.7388 0.4674 0.5462 0.053 Uiso 0.50 1 d PR 1
C5C C 0.7114(4) 0.3728(5) 0.4460(3) 0.0515(13) Uani 0.50 1 d P 1
H5CA H 0.7604 0.3205 0.4608 0.062 Uiso 0.50 1 d PR 1
C6C C 0.6530(3) 0.3602(3) 0.3735(2) 0.0423(9) Uani 0.50 1 d P 1
H6CA H 0.6620 0.2995 0.3384 0.051 Uiso 0.50 1 d PR 1
C1D C 0.5167(3) 0.5531(3) 0.1827(2) 0.0332(8) Uani 0.50 1 d P 1
C2D C 0.4621(4) 0.5682(5) 0.1082(3) 0.0253(14) Uani 0.50 1 d P 1
C3D C 0.4731(5) 0.6580(6) 0.0610(5) 0.0459(17) Uani 0.50 1 d P 1
H3DA H 0.4342 0.6683 0.0107 0.055 Uiso 0.50 1 d PR 1
C4D C 0.5414(5) 0.7351(5) 0.0856(4) 0.0462(16) Uani 0.50 1 d P 1
H4DA H 0.5504 0.7978 0.0527 0.055 Uiso 0.50 1 d PR 1
C5D C 0.6011(5) 0.7209(5) 0.1584(4) 0.0493(14) Uani 0.50 1 d P 1
H5DA H 0.6490 0.7733 0.1757 0.059 Uiso 0.50 1 d PR 1
C6D C 0.5862(3) 0.6299(3) 0.2059(2) 0.0385(8) Uani 0.50 1 d P 1
H6DA H 0.6251 0.6196 0.2562 0.046 Uiso 0.50 1 d PR 1
O1A O 0.6926(3) 0.3730(3) 0.1831(3) 0.0432(10) Uani 0.50 1 d P 1
O1B O 0.4014(3) 0.2520(3) 0.3464(3) 0.0381(10) Uani 0.50 1 d P 1
O1C O 0.4977(3) 0.5911(3) 0.3760(3) 0.0360(11) Uani 0.50 1 d P 1
O1D O 0.3972(3) 0.4881(3) 0.0872(3) 0.0364(10) Uani 0.50 1 d P 1
C7A C 0.7960(4) 0.3634(6) 0.1705(5) 0.050(2) Uani 0.50 1 d P 1
H7AA H 0.8091 0.3670 0.1128 0.061 Uiso 0.50 1 d PR 1
H7AB H 0.8223 0.2978 0.1929 0.061 Uiso 0.50 1 d PR 1
C8A C 0.8412(5) 0.4553(5) 0.2143(6) 0.0628(17) Uani 0.50 1 d P 1
H8AA H 0.9108 0.4560 0.2092 0.094 Uiso 0.50 1 d PR 1
H8AB H 0.8136 0.5199 0.1912 0.094 Uiso 0.50 1 d PR 1
H8AC H 0.8268 0.4505 0.2717 0.094 Uiso 0.50 1 d PR 1
C7B C 0.3760(5) 0.1619(5) 0.3940(4) 0.0385(17) Uani 0.50 1 d P 1
H7BA H 0.3246 0.1220 0.3657 0.046 Uiso 0.50 1 d PR 1
H7BB H 0.3542 0.1837 0.4470 0.046 Uiso 0.50 1 d PR 1
C8B C 0.4658(5) 0.0937(5) 0.4036(5) 0.0674(18) Uani 0.50 1 d P 1
H8BA H 0.4531 0.0308 0.4354 0.101 Uiso 0.50 1 d PR 1
H8BB H 0.4866 0.0732 0.3501 0.101 Uiso 0.50 1 d PR 1
H8BC H 0.5163 0.1351 0.4317 0.101 Uiso 0.50 1 d PR 1
C7C C 0.4932(5) 0.6912(5) 0.4197(5) 0.044(2) Uani 0.50 1 d P 1
H7CA H 0.5564 0.7243 0.4257 0.053 Uiso 0.50 1 d PR 1
H7CB H 0.4682 0.6815 0.4736 0.053 Uiso 0.50 1 d PR 1
C8C C 0.4247(5) 0.7587(6) 0.3670(5) 0.0598(18) Uani 0.50 1 d P 1
H8CA H 0.4178 0.8274 0.3924 0.090 Uiso 0.50 1 d PR 1
H8CB H 0.4506 0.7675 0.3133 0.090 Uiso 0.50 1 d PR 1
H8CC H 0.3620 0.7245 0.3614 0.090 Uiso 0.50 1 d PR 1
C7D C 0.3345(4) 0.5004(6) 0.0149(3) 0.0373(19) Uani 0.50 1 d P 1
H7DA H 0.3713 0.5000 -0.0341 0.045 Uiso 0.50 1 d PR 1
H7DB H 0.2984 0.5660 0.0169 0.045 Uiso 0.50 1 d PR 1
C8D C 0.2636(6) 0.4096(5) 0.0151(5) 0.0625(19) Uani 0.50 1 d P 1
H8DA H 0.2185 0.4123 -0.0322 0.094 Uiso 0.50 1 d PR 1
H8DB H 0.3011 0.3448 0.0135 0.094 Uiso 0.50 1 d PR 1
H8DC H 0.2280 0.4111 0.0648 0.094 Uiso 0.50 1 d PR 1
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'
O O 0.0106 0.0060 '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_1
_geom_angle_site_symmetry_3
C1C Ge1 C1C 172.49(19) . 6_656
C1C Ge1 C1D 109.49(15) . .
C1C Ge1 C1D 63.82(15) 6_656 .
C1C Ge1 C1D 63.82(15) . 6_656
C1C Ge1 C1D 109.50(15) 6_656 6_656
C1D Ge1 C1D 69.7(2) . 6_656
C1C Ge1 C1A 74.77(14) . 6_656
C1C Ge1 C1A 111.48(14) 6_656 6_656
C1D Ge1 C1A 172.37(14) . 6_656
C1D Ge1 C1A 107.77(14) 6_656 6_656
C1C Ge1 C1A 111.48(14) . .
C1C Ge1 C1A 74.77(14) 6_656 .
C1D Ge1 C1A 107.77(14) . .
C1D Ge1 C1A 172.38(14) 6_656 .
C1A Ge1 C1A 75.65(18) 6_656 .
C1C Ge1 C1B 70.94(13) . 6_656
C1C Ge1 C1B 109.60(13) 6_656 6_656
C1D Ge1 C1B 77.90(14) . 6_656
C1D Ge1 C1B 108.79(14) 6_656 6_656
C1A Ge1 C1B 109.66(14) 6_656 6_656
C1A Ge1 C1B 63.60(14) . 6_656
C1C Ge1 C1B 109.60(13) . .
C1C Ge1 C1B 70.94(13) 6_656 .
C1D Ge1 C1B 108.79(14) . .
C1D Ge1 C1B 77.90(14) 6_656 .
C1A Ge1 C1B 63.60(14) 6_656 .
C1A Ge1 C1B 109.65(14) . .
C1B Ge1 C1B 172.14(19) 6_656 .
O1B C1A C6A 89.2(3) 6_656 .
O1B C1A C2A 27.9(2) 6_656 .
C6A C1A C2A 116.7(4) . .
O1B C1A C2B 47.1(2) 6_656 6_656
C6A C1A C2B 136.2(3) . 6_656
C2A C1A C2B 19.5(2) . 6_656
O1B C1A Ge1 146.6(3) 6_656 .
C6A C1A Ge1 124.1(2) . .
C2A C1A Ge1 119.2(3) . .
C2B C1A Ge1 99.7(2) 6_656 .
O1B C2A C2B 167.4(11) 6_656 6_656
O1B C2A O1A 167.9(10) 6_656 .
C2B C2A O1A 7.1(5) 6_656 .
O1B C2A C3A 67.5(7) 6_656 .
C2B C2A C3A 119.4(8) 6_656 .
O1A C2A C3A 123.7(6) . .
O1B C2A C1A 55.4(7) 6_656 .
C2B C2A C1A 118.0(8) 6_656 .
O1A C2A C1A 113.8(5) . .
C3A C2A C1A 122.4(6) . .
O1B C2A C7B 44.7(7) 6_656 6_656
C2B C2A C7B 141.6(8) 6_656 6_656
O1A C2A C7B 146.3(6) . 6_656
C3A C2A C7B 22.8(3) . 6_656
C1A C2A C7B 99.8(5) . 6_656
O1B C2A C3B 144.3(8) 6_656 6_656
C2B C2A C3B 41.6(6) 6_656 6_656
O1A C2A C3B 45.9(3) . 6_656
C3A C2A C3B 77.9(4) . 6_656
C1A C2A C3B 159.6(5) . 6_656
C7B C2A C3B 100.4(4) 6_656 6_656
O1B C2A C1B 131.7(8) 6_656 6_656
C2B C2A C1B 40.7(6) 6_656 6_656
O1A C2A C1B 36.7(3) . 6_656
C3A C2A C1B 160.1(5) . 6_656
C1A C2A C1B 77.3(3) . 6_656
C7B C2A C1B 174.3(4) 6_656 6_656
C3B C2A C1B 82.3(3) 6_656 6_656
C7B C3A O1B 83.5(7) 6_656 6_656
C7B C3A C2A 112.1(8) 6_656 .
O1B C3A C2A 28.6(3) 6_656 .
C7B C3A C4A 9.2(7) 6_656 .
O1B C3A C4A 89.7(5) 6_656 .
C2A C3A C4A 118.1(6) . .
C7B C3A C2B 131.1(8) 6_656 6_656
O1B C3A C2B 47.8(3) 6_656 6_656
C2A C3A C2B 19.5(3) . 6_656
C4A C3A C2B 137.5(6) . 6_656
C7B C4A C8B 138.8(15) 6_656 6_656
C7B C4A C5A 114.1(12) 6_656 .
C8B C4A C5A 30.9(6) 6_656 .
C7B C4A C3A 10.4(8) 6_656 .
C8B C4A C3A 148.0(10) 6_656 .
C5A C4A C3A 120.8(6) . .
C7B C4A O1B 36.1(9) 6_656 6_656
C8B C4A O1B 106.4(8) 6_656 6_656
C5A C4A O1B 78.4(4) . 6_656
C3A C4A O1B 42.5(3) . 6_656
C8B C5A C4A 39.1(7) 6_656 .
C8B C5A C6A 151.9(11) 6_656 .
C4A C5A C6A 119.4(5) . .
C8B C5A C7B 57.4(8) 6_656 6_656
C4A C5A C7B 20.5(3) . 6_656
C6A C5A C7B 99.1(4) . 6_656
C1A C6A C5A 122.5(4) . .
C1A C6A O1B 40.8(2) . 6_656
C5A C6A O1B 81.9(3) . 6_656
O1A C1B C6B 89.8(3) 6_656 .
O1A C1B C2B 28.5(2) 6_656 .
C6B C1B C2B 118.1(4) . .
O1A C1B C2A 47.3(3) 6_656 6_656
C6B C1B C2A 137.1(3) . 6_656
C2B C1B C2A 19.1(2) . 6_656
O1A C1B Ge1 146.3(3) 6_656 .
C6B C1B Ge1 122.7(2) . .
C2B C1B Ge1 119.0(3) . .
C2A C1B Ge1 99.8(2) 6_656 .
O1A C2B C2A 165.6(11) 6_656 6_656
O1A C2B O1B 166.5(9) 6_656 .
C2A C2B O1B 6.1(5) 6_656 .
O1A C2B C1B 51.8(6) 6_656 .
C2A C2B C1B 120.1(8) 6_656 .
O1B C2B C1B 116.8(6) . .
O1A C2B C3B 69.8(7) 6_656 .
C2A C2B C3B 119.0(8) 6_656 .
O1B C2B C3B 122.3(6) . .
C1B C2B C3B 120.8(5) . .
O1A C2B C7A 47.2(6) 6_656 6_656
C2A C2B C7A 142.5(8) 6_656 6_656
O1B C2B C7A 145.6(6) . 6_656
C1B C2B C7A 97.3(4) . 6_656
C3B C2B C7A 23.6(3) . 6_656
O1A C2B C3A 146.3(8) 6_656 6_656
C2A C2B C3A 41.1(6) 6_656 6_656
O1B C2B C3A 44.5(3) . 6_656
C1B C2B C3A 161.2(5) . 6_656
C3B C2B C3A 77.9(4) . 6_656
C7A C2B C3A 101.4(4) 6_656 6_656
O1A C2B C1A 128.2(7) 6_656 6_656
C2A C2B C1A 42.4(6) 6_656 6_656
O1B C2B C1A 39.2(3) . 6_656
C1B C2B C1A 77.8(3) . 6_656
C3B C2B C1A 161.4(5) . 6_656
C7A C2B C1A 175.0(4) 6_656 6_656
C3A C2B C1A 83.5(3) 6_656 6_656
C7A C3B O1A 82.2(7) 6_656 6_656
C7A C3B C2B 110.0(8) 6_656 .
O1A C3B C2B 28.6(2) 6_656 .
C7A C3B C4B 12.3(8) 6_656 .
O1A C3B C4B 91.1(5) 6_656 .
C2B C3B C4B 119.6(6) . .
C7A C3B C2A 129.5(8) 6_656 6_656
O1A C3B C2A 47.8(3) 6_656 6_656
C2B C3B C2A 19.5(2) . 6_656
C4B C3B C2A 138.9(6) . 6_656
C7A C4B C8A 124.3(14) 6_656 6_656
C7A C4B C3B 14.3(10) 6_656 .
C8A C4B C3B 138.2(7) 6_656 .
C7A C4B C5B 109.0(11) 6_656 .
C8A C4B C5B 25.8(6) 6_656 .
C3B C4B C5B 120.4(5) . .
C8A C5B C6B 141.7(12) 6_656 .
C8A C5B C4B 38.8(11) 6_656 .
C6B C5B C4B 117.2(5) . .
C8A C5B C7A 54.5(11) 6_656 6_656
C6B C5B C7A 96.5(4) . 6_656
C4B C5B C7A 21.0(2) . 6_656
C1B C6B C5B 123.7(4) . .
C1B C6B O1A 39.0(2) . 6_656
C5B C6B O1A 84.8(4) . 6_656
C1B C6B C8A 113.9(3) . 6_656
C5B C6B C8A 12.4(4) . 6_656
O1A C6B C8A 76.0(3) 6_656 6_656
O1D C1C C6C 89.8(3) 6_656 .
O1D C1C C2C 26.4(2) 6_656 .
C6C C1C C2C 116.3(4) . .
O1D C1C C2D 45.7(2) 6_656 6_656
C6C C1C C2D 135.4(4) . 6_656
C2C C1C C2D 19.4(2) . 6_656
O1D C1C Ge1 146.0(3) 6_656 .
C6C C1C Ge1 124.2(3) . .
C2C C1C Ge1 119.6(3) . .
C2D C1C Ge1 100.3(2) 6_656 .
O1D C2C C2D 172.8(11) 6_656 6_656
O1D C2C C3C 60.3(8) 6_656 .
C2D C2C C3C 116.2(8) 6_656 .
O1D C2C O1C 174.3(11) 6_656 .
C2D C2C O1C 11.5(5) 6_656 .
C3C C2C O1C 125.4(6) . .
O1D C2C C1C 61.7(9) 6_656 .
C2D C2C C1C 121.6(6) 6_656 .
C3C C2C C1C 122.0(6) . .
O1C C2C C1C 112.6(5) . .
O1D C2C C7D 41.9(8) 6_656 6_656
C2D C2C C7D 134.1(7) 6_656 6_656
C3C C2C C7D 18.6(3) . 6_656
O1C C2C C7D 143.8(5) . 6_656
C1C C2C C7D 103.5(5) . 6_656
O1D C2C C1D 138.8(10) 6_656 6_656
C2D C2C C1D 44.4(5) 6_656 6_656
C3C C2C C1D 160.6(6) . 6_656
O1C C2C C1D 35.6(3) . 6_656
C1C C2C C1D 77.3(3) . 6_656
C7D C2C C1D 174.9(4) 6_656 6_656
O1D C2C C3D 139.8(11) 6_656 6_656
C2D C2C C3D 36.5(5) 6_656 6_656
C3C C2C C3D 79.7(5) . 6_656
O1C C2C C3D 46.0(3) . 6_656
C1C C2C C3D 158.0(5) . 6_656
C7D C2C C3D 98.0(4) 6_656 6_656
C1D C2C C3D 80.9(4) 6_656 6_656
C7D C3C O1D 94.9(10) 6_656 6_656
C7D C3C C2C 122.2(11) 6_656 .
O1D C3C C2C 27.4(3) 6_656 .
C7D C3C C4C 5.1(6) 6_656 .
O1D C3C C4C 92.8(7) 6_656 .
C2C C3C C4C 120.2(9) . .
C7D C3C C2D 142.8(11) 6_656 6_656
O1D C3C C2D 48.8(3) 6_656 6_656
C2C C3C C2D 21.5(3) . 6_656
C4C C3C C2D 141.4(8) . 6_656
C7D C4C C8D 152.5(13) 6_656 6_656
C7D C4C C5C 121.5(10) 6_656 .
C8D C4C C5C 35.3(7) 6_656 .
C7D C4C C3C 5.0(6) 6_656 .
C8D C4C C3C 152.4(12) 6_656 .
C5C C4C C3C 119.4(8) . .
C7D C4C O1D 41.6(7) 6_656 6_656
C8D C4C O1D 114.0(9) 6_656 6_656
C5C C4C O1D 80.1(5) . 6_656
C3C C4C O1D 39.3(5) . 6_656
C8D C5C C4C 34.9(6) 6_656 .
C8D C5C C6C 152.7(9) 6_656 .
C4C C5C C6C 120.4(5) . .
C8D C5C C7D 53.2(7) 6_656 6_656
C4C C5C C7D 19.2(3) . 6_656
C6C C5C C7D 101.3(4) . 6_656
C1C C6C C5C 121.7(4) . .
C1C C6C O1D 41.9(2) . 6_656
C5C C6C O1D 79.7(3) . 6_656
O1C C1D C6D 91.5(4) 6_656 .
O1C C1D C2D 27.1(3) 6_656 .
C6D C1D C2D 117.9(4) . .
O1C C1D C2C 48.2(3) 6_656 6_656
C6D C1D C2C 139.6(4) . 6_656
C2D C1D C2C 21.8(3) . 6_656
O1C C1D Ge1 146.4(4) 6_656 .
C6D C1D Ge1 120.9(3) . .
C2D C1D Ge1 121.1(4) . .
C2C C1D Ge1 99.2(3) 6_656 .
O1C C2D C2C 155.5(12) 6_656 6_656
O1C C2D O1D 158.5(10) 6_656 .
C2C C2D O1D 3.3(5) 6_656 .
O1C C2D C3D 75.4(8) 6_656 .
C2C C2D C3D 124.7(7) 6_656 .
O1D C2D C3D 123.2(6) . .
O1C C2D C1D 47.6(6) 6_656 .
C2C C2D C1D 113.7(7) 6_656 .
O1D C2D C1D 115.4(6) . .
C3D C2D C1D 121.5(6) . .
O1C C2D C7C 54.2(8) 6_656 6_656
C2C C2D C7C 146.8(7) 6_656 6_656
O1D C2D C7C 145.2(6) . 6_656
C3D C2D C7C 22.0(4) . 6_656
C1D C2D C7C 99.5(5) . 6_656
O1C C2D C3C 154.3(9) 6_656 6_656
C2C C2D C3C 42.4(6) 6_656 6_656
O1D C2D C3C 40.7(4) . 6_656
C3D C2D C3C 82.4(5) . 6_656
C1D C2D C3C 156.1(6) . 6_656
C7C C2D C3C 104.5(5) 6_656 6_656
O1C C2D C1C 120.6(8) 6_656 6_656
C2C C2D C1C 39.1(5) 6_656 6_656
O1D C2D C1C 40.6(3) . 6_656
C3D C2D C1C 163.7(6) . 6_656
C1D C2D C1C 74.8(3) . 6_656
C7C C2D C1C 174.1(5) 6_656 6_656
C3C C2D C1C 81.3(4) 6_656 6_656
C7C C3D O1C 82.1(12) 6_656 6_656
C7C C3D C2D 109.3(13) 6_656 .
O1C C3D C2D 28.0(3) 6_656 .
C7C C3D C4D 11.0(9) 6_656 .
O1C C3D C4D 92.4(6) 6_656 .
C2D C3D C4D 119.9(7) . .
C7C C3D C2C 128.1(13) 6_656 6_656
O1C C3D C2C 46.3(3) 6_656 6_656
C2D C3D C2C 18.8(2) . 6_656
C4D C3D C2C 138.7(7) . 6_656
C7C C4D C8C 129.5(13) 6_656 6_656
C7C C4D C3D 10.3(9) 6_656 .
C8C C4D C3D 139.8(9) 6_656 .
C7C C4D C5D 110.6(10) 6_656 .
C8C C4D C5D 26.1(7) 6_656 .
C3D C4D C5D 120.5(6) . .
C8C C5D C6D 141.4(13) 6_656 .
C8C C5D C4D 35.0(10) 6_656 .
C6D C5D C4D 117.9(6) . .
C8C C5D C7C 53.9(11) 6_656 6_656
C6D C5D C7C 95.7(5) . 6_656
C4D C5D C7C 22.2(3) . 6_656
C1D C6D C5D 122.1(4) . .
C1D C6D O1C 37.1(2) . 6_656
C5D C6D O1C 85.3(4) . 6_656
C1D C6D C8C 111.6(4) . 6_656
C5D C6D C8C 12.8(4) . 6_656
O1C C6D C8C 75.7(3) 6_656 6_656
C2B O1A C1B 99.7(7) 6_656 6_656
C2B O1A C3B 81.6(7) 6_656 6_656
C1B O1A C3B 169.7(6) 6_656 6_656
C2B O1A C2A 7.3(6) 6_656 .
C1B O1A C2A 96.0(5) 6_656 .
C3B O1A C2A 86.3(5) 6_656 .
C2B O1A C7A 112.7(8) 6_656 .
C1B O1A C7A 143.1(5) 6_656 .
C3B O1A C7A 32.0(3) 6_656 .
C2A O1A C7A 118.0(6) . .
C2B O1A C6B 150.2(7) 6_656 6_656
C1B O1A C6B 51.2(3) 6_656 6_656
C3B O1A C6B 125.9(4) 6_656 6_656
C2A O1A C6B 147.2(5) . 6_656
C7A O1A C6B 93.8(4) . 6_656
C2A O1B C1A 96.7(8) 6_656 6_656
C2A O1B C3A 83.9(7) 6_656 6_656
C1A O1B C3A 172.1(6) 6_656 6_656
C2A O1B C2B 6.5(6) 6_656 .
C1A O1B C2B 93.7(5) 6_656 .
C3A O1B C2B 87.7(5) 6_656 .
C2A O1B C7B 115.9(8) 6_656 .
C1A O1B C7B 146.5(4) 6_656 .
C3A O1B C7B 32.1(3) 6_656 .
C2B O1B C7B 119.6(6) . .
C2A O1B C6A 146.0(8) 6_656 6_656
C1A O1B C6A 50.1(3) 6_656 6_656
C3A O1B C6A 127.9(4) 6_656 6_656
C2B O1B C6A 143.7(5) . 6_656
C7B O1B C6A 96.5(4) . 6_656
C2A O1B C4A 131.2(8) 6_656 6_656
C1A O1B C4A 130.2(4) 6_656 6_656
C3A O1B C4A 47.8(3) 6_656 6_656
C2B O1B C4A 135.4(6) . 6_656
C7B O1B C4A 16.3(4) . 6_656
C6A O1B C4A 80.3(3) 6_656 6_656
C2D O1C C1D 105.3(8) 6_656 6_656
C2D O1C C3D 76.6(8) 6_656 6_656
C1D O1C C3D 165.7(5) 6_656 6_656
C2D O1C C2C 13.0(6) 6_656 .
C1D O1C C2C 96.2(5) 6_656 .
C3D O1C C2C 87.7(4) 6_656 .
C2D O1C C7C 104.0(9) 6_656 .
C1D O1C C7C 144.0(5) 6_656 .
C3D O1C C7C 28.1(3) 6_656 .
C2C O1C C7C 115.6(5) . .
C2D O1C C6D 154.4(8) 6_656 6_656
C1D O1C C6D 51.4(3) 6_656 6_656
C3D O1C C6D 123.0(4) 6_656 6_656
C2C O1C C6D 147.5(4) . 6_656
C7C O1C C6D 95.0(4) . 6_656
C2C O1D C3C 92.2(9) 6_656 6_656
C2C O1D C1C 91.9(10) 6_656 6_656
C3C O1D C1C 175.7(5) 6_656 6_656
C2C O1D C2D 3.9(6) 6_656 .
C3C O1D C2D 90.4(5) 6_656 .
C1C O1D C2D 93.8(5) 6_656 .
C2C O1D C7D 120.9(10) 6_656 .
C3C O1D C7D 28.8(3) 6_656 .
C1C O1D C7D 147.1(4) 6_656 .
C2D O1D C7D 118.9(6) . .
C2C O1D C6C 140.1(10) 6_656 6_656
C3C O1D C6C 127.6(4) 6_656 6_656
C1C O1D C6C 48.2(2) 6_656 6_656
C2D O1D C6C 141.9(5) . 6_656
C7D O1D C6C 98.9(3) . 6_656
C2C O1D C4C 140.1(11) 6_656 6_656
C3C O1D C4C 47.9(4) 6_656 6_656
C1C O1D C4C 128.0(4) 6_656 6_656
C2D O1D C4C 138.2(6) . 6_656
C7D O1D C4C 19.3(3) . 6_656
C6C O1D C4C 79.7(3) 6_656 6_656
C4B C7A C3B 153.3(17) 6_656 6_656
C4B C7A O1A 131.3(12) 6_656 .
C3B C7A O1A 65.7(6) 6_656 .
C4B C7A C8A 33.7(10) 6_656 .
C3B C7A C8A 170.7(9) 6_656 .
O1A C7A C8A 105.0(5) . .
C4B C7A C5B 50.0(10) 6_656 6_656
C3B C7A C5B 148.7(8) 6_656 6_656
O1A C7A C5B 83.9(4) . 6_656
C8A C7A C5B 22.3(3) . 6_656
C4B C7A C2B 151.0(11) 6_656 6_656
C3B C7A C2B 46.4(6) 6_656 6_656
O1A C7A C2B 20.1(2) . 6_656
C8A C7A C2B 124.4(5) . 6_656
C5B C7A C2B 103.8(4) 6_656 6_656
C5B C8A C4B 115.4(16) 6_656 6_656
C5B C8A C7A 103.1(13) 6_656 .
C4B C8A C7A 22.0(5) 6_656 .
C5B C8A C6B 25.9(8) 6_656 6_656
C4B C8A C6B 103.3(7) 6_656 6_656
C7A C8A C6B 85.2(4) . 6_656
C4A C7B C3A 160.4(15) 6_656 6_656
C4A C7B O1B 127.6(12) 6_656 .
C3A C7B O1B 64.5(6) 6_656 .
C4A C7B C8B 24.0(10) 6_656 .
C3A C7B C8B 170.0(9) 6_656 .
O1B C7B C8B 106.7(5) . .
C4A C7B C5A 45.4(10) 6_656 6_656
C3A C7B C5A 145.2(7) 6_656 6_656
O1B C7B C5A 82.6(4) . 6_656
C8B C7B C5A 25.0(3) . 6_656
C4A C7B C2A 145.5(12) 6_656 6_656
C3A C7B C2A 45.1(6) 6_656 6_656
O1B C7B C2A 19.3(2) . 6_656
C8B C7B C2A 125.9(5) . 6_656
C5A C7B C2A 101.5(4) 6_656 6_656
C5A C8B C4A 110.1(12) 6_656 6_656
C5A C8B C7B 97.6(10) 6_656 .
C4A C8B C7B 17.3(6) 6_656 .
C3D C7C C4D 158.7(18) 6_656 6_656
C3D C7C O1C 69.8(10) 6_656 .
C4D C7C O1C 129.8(11) 6_656 .
C3D C7C C8C 172.5(13) 6_656 .
C4D C7C C8C 28.4(8) 6_656 .
O1C C7C C8C 104.5(5) . .
C3D C7C C2D 48.6(10) 6_656 6_656
C4D C7C C2D 151.6(11) 6_656 6_656
O1C C7C C2D 21.8(2) . 6_656
C8C C7C C2D 125.1(5) . 6_656
C3D C7C C5D 152.9(13) 6_656 6_656
C4D C7C C5D 47.2(8) 6_656 6_656
O1C C7C C5D 83.2(4) . 6_656
C8C C7C C5D 22.5(3) . 6_656
C2D C7C C5D 104.6(5) 6_656 6_656
C5D C8C C4D 118.9(16) 6_656 6_656
C5D C8C C7C 103.6(13) 6_656 .
C4D C8C C7C 22.0(6) 6_656 .
C5D C8C C6D 25.8(9) 6_656 6_656
C4D C8C C6D 104.6(8) 6_656 6_656
C7C C8C C6D 84.7(4) . 6_656
C3C C7D C4C 169.9(12) 6_656 6_656
C3C C7D O1D 56.3(8) 6_656 .
C4C C7D O1D 119.1(10) 6_656 .
C3C C7D C8D 162.6(11) 6_656 .
C4C C7D C8D 14.9(7) 6_656 .
O1D C7D C8D 106.4(5) . .
C3C C7D C2C 39.2(9) 6_656 6_656
C4C C7D C2C 136.2(10) 6_656 6_656
O1D C7D C2C 17.2(2) . 6_656
C8D C7D C2C 123.5(5) . 6_656
C3C C7D C5C 135.9(10) 6_656 6_656
C4C C7D C5C 39.3(8) 6_656 6_656
O1D C7D C5C 80.0(4) . 6_656
C8D C7D C5C 26.7(4) . 6_656
C2C C7D C5C 97.2(4) 6_656 6_656
C4C C8D C5C 109.8(12) 6_656 6_656
C4C C8D C7D 12.6(6) 6_656 .
C5C C8D C7D 100.1(10) 6_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 C1C 1.920(4) .
Ge1 C1C 1.920(4) 6_656
Ge1 C1D 1.964(3) .
Ge1 C1D 1.964(3) 6_656
Ge1 C1A 1.964(3) 6_656
Ge1 C1A 1.964(3) .
Ge1 C1B 1.973(3) 6_656
Ge1 C1B 1.973(3) .
C1A O1B 1.176(6) 6_656
C1A C6A 1.380(5) .
C1A C2A 1.419(7) .
C1A C2B 1.856(7) 6_656
C2A O1B 0.668(5) 6_656
C2A C2B 0.704(5) 6_656
C2A O1A 1.371(6) .
C2A C3A 1.386(8) .
C2A C7B 1.812(8) 6_656
C2A C3B 1.847(8) 6_656
C2A C1B 1.857(7) 6_656
C3A C7B 0.758(6) 6_656
C3A O1B 1.288(7) 6_656
C3A C4A 1.412(8) .
C3A C2B 1.837(8) 6_656
C4A C7B 0.675(6) 6_656
C4A C8B 0.924(8) 6_656
C4A C5A 1.376(10) .
C4A O1B 1.907(8) 6_656
C5A C8B 0.751(6) 6_656
C5A C6A 1.395(6) .
C5A C7B 1.763(9) 6_656
C6A O1B 1.800(5) 6_656
C1B O1A 1.117(5) 6_656
C1B C6B 1.383(5) .
C1B C2B 1.401(6) .
C1B C2A 1.857(7) 6_656
C2B O1A 0.678(4) 6_656
C2B C2A 0.704(5) 6_656
C2B O1B 1.363(6) .
C2B C3B 1.401(9) .
C2B C7A 1.818(8) 6_656
C2B C3A 1.837(8) 6_656
C2B C1A 1.856(7) 6_656
C3B C7A 0.773(7) 6_656
C3B O1A 1.329(7) 6_656
C3B C4B 1.401(8) .
C3B C2A 1.847(8) 6_656
C4B C7A 0.666(6) 6_656
C4B C8A 0.989(10) 6_656
C4B C5B 1.426(9) .
C5B C8A 0.687(6) 6_656
C5B C6B 1.391(6) .
C5B C7A 1.760(10) 6_656
C6B O1A 1.775(5) 6_656
C6B C8A 1.976(7) 6_656
C1C O1D 1.246(6) 6_656
C1C C6C 1.391(5) .
C1C C2C 1.415(7) .
C1C C2D 1.912(7) 6_656
C2C O1D 0.630(5) 6_656
C2C C2D 0.744(5) 6_656
C2C C3C 1.368(10) .
C2C O1C 1.373(6) .
C2C C7D 1.830(8) 6_656
C2C C1D 1.831(7) 6_656
C2C C3D 1.897(9) 6_656
C3C C7D 0.689(5) 6_656
C3C O1D 1.189(9) 6_656
C3C C4C 1.392(7) .
C3C C2D 1.822(9) 6_656
C4C C7D 0.708(5) 6_656
C4C C8D 0.830(7) 6_656
C4C C5C 1.366(9) .
C4C O1D 1.874(9) 6_656
C5C C8D 0.839(7) 6_656
C5C C6C 1.396(6) .
C5C C7D 1.838(9) 6_656
C6C O1D 1.865(6) 6_656
C1D O1C 1.073(5) 6_656
C1D C6D 1.390(5) .
C1D C2D 1.401(7) .
C1D C2C 1.831(7) 6_656
C2D O1C 0.661(5) 6_656
C2D C2C 0.744(5) 6_656
C2D O1D 1.371(6) .
C2D C3D 1.371(10) .
C2D C7C 1.724(8) 6_656
C2D C3C 1.822(9) 6_656
C2D C1C 1.912(7) 6_656
C3D C7C 0.685(7) 6_656
C3D O1C 1.364(9) 6_656
C3D C4D 1.388(8) .
C3D C2C 1.897(9) 6_656
C4D C7C 0.727(6) 6_656
C4D C8C 0.925(9) 6_656
C4D C5D 1.411(10) .
C5D C8C 0.709(7) 6_656
C5D C6D 1.394(6) .
C5D C7C 1.801(10) 6_656
C6D O1C 1.778(5) 6_656
C6D C8C 1.998(8) 6_656
O1A C2B 0.678(4) 6_656
O1A C1B 1.117(5) 6_656
O1A C3B 1.329(7) 6_656
O1A C7A 1.445(8) .
O1A C6B 1.775(5) 6_656
O1B C2A 0.668(5) 6_656
O1B C1A 1.176(6) 6_656
O1B C3A 1.288(7) 6_656
O1B C7B 1.418(8) .
O1B C6A 1.800(5) 6_656
O1B C4A 1.906(8) 6_656
O1C C2D 0.661(5) 6_656
O1C C1D 1.073(5) 6_656
O1C C3D 1.364(9) 6_656
O1C C7C 1.441(8) .
O1C C6D 1.778(5) 6_656
O1D C2C 0.630(5) 6_656
O1D C3C 1.189(9) 6_656
O1D C1C 1.246(6) 6_656
O1D C7D 1.425(8) .
O1D C6C 1.865(6) 6_656
O1D C4C 1.874(9) 6_656
C7A C4B 0.666(6) 6_656
C7A C3B 0.773(7) 6_656
C7A C8A 1.471(11) .
C7A C5B 1.760(10) 6_656
C7A C2B 1.818(8) 6_656
C8A C5B 0.687(6) 6_656
C8A C4B 0.989(10) 6_656
C8A C6B 1.976(7) 6_656
C7B C4A 0.675(6) 6_656
C7B C3A 0.758(6) 6_656
C7B C8B 1.499(8) .
C7B C5A 1.763(9) 6_656
C7B C2A 1.812(8) 6_656
C8B C5A 0.751(6) 6_656
C8B C4A 0.924(8) 6_656
C7C C3D 0.685(7) 6_656
C7C C4D 0.727(6) 6_656
C7C C8C 1.497(10) .
C7C C2D 1.724(8) 6_656
C7C C5D 1.801(10) 6_656
C8C C5D 0.709(7) 6_656
C8C C4D 0.925(9) 6_656
C8C C6D 1.998(8) 6_656
C7D C3C 0.689(5) 6_656
C7D C4C 0.708(5) 6_656
C7D C8D 1.494(8) .
C7D C2C 1.830(8) 6_656
C7D C5C 1.838(9) 6_656
C8D C4C 0.830(7) 6_656
C8D C5C 0.839(7) 6_656
