#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/46/7104672.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_7104672
loop_
_publ_author_name
'Ghereg, Dumitru'
'Ech-Cherif El Kettani, Sakina'
'Lazraq, Mohamed'
'Ranaivonjatovo, Henri'
'Schoeller, Wolfgang W'
'Escudié, Jean'
'Gornitzka, Heinz'
_publ_section_title
;
 An isolable o-quinodimethane and its fixation of molecular oxygen to
 give an endoperoxide.
;
_journal_issue                   32
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4821
_journal_page_last               4823
_journal_paper_doi               10.1039/b910001f
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C74 H71 Ge2 O2.5'
_chemical_formula_weight         1145.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 95.893(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5043(9)
_cell_length_b                   21.2079(19)
_cell_length_c                   26.522(2)
_cell_measurement_reflns_used    3077
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      20.748
_cell_measurement_theta_min      2.173
_cell_volume                     5877.2(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       'phi and omega 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1873
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8361
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         5.10
_exptl_absorpt_coefficient_mu    1.071
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.572649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2396
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.678
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     742
_refine_ls_number_reflns         8361
_refine_ls_number_restraints     142
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1720
_refine_ls_R_factor_gt           0.0868
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0860P)²+5.6393P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1668
_refine_ls_wR_factor_ref         0.1976
_reflns_number_gt                4646
_reflns_number_total             8361
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b910001f.txt
_cod_data_source_block           2
_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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C74 H71 Ge2 O2.50'
_cod_database_code               7104672
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_assembly
_atom_site_disorder_group
Ge1 Ge 1.03600(9) 0.64872(4) 0.28986(3) 0.0163(3) Uani 1 1 d . . .
Ge2 Ge 0.78163(9) 0.71273(4) 0.51672(3) 0.0186(3) Uani 1 1 d . . .
O1 O 1.1240(5) 0.6128(3) 0.3444(2) 0.0215(15) Uani 1 1 d . . .
O2 O 0.8865(6) 0.6458(3) 0.51918(19) 0.0227(15) Uani 1 1 d . . .
C1 C 1.0672(8) 0.6208(4) 0.3880(3) 0.016(2) Uani 1 1 d U . .
C2 C 1.1121(8) 0.5901(4) 0.4305(3) 0.0148(19) Uani 1 1 d U . .
C3 C 1.2212(9) 0.5475(4) 0.4328(4) 0.030(2) Uani 1 1 d U . .
H3 H 1.2658 0.5417 0.4038 0.035 Uiso 1 1 calc R . .
C4 C 1.2596(9) 0.5160(4) 0.4763(4) 0.039(3) Uani 1 1 d U . .
H4 H 1.3316 0.4887 0.4775 0.046 Uiso 1 1 calc R . .
C5 C 1.1932(10) 0.5233(4) 0.5202(4) 0.036(3) Uani 1 1 d U . .
H5 H 1.2224 0.5008 0.5501 0.043 Uiso 1 1 calc R . .
C6 C 1.0924(9) 0.5603(4) 0.5205(3) 0.028(2) Uani 1 1 d U . .
H6 H 1.0485 0.5624 0.5501 0.034 Uiso 1 1 calc R . .
C7 C 1.0477(9) 0.5976(4) 0.4770(3) 0.017(2) Uani 1 1 d U . .
C8 C 0.9488(8) 0.6396(4) 0.4766(3) 0.016(2) Uani 1 1 d U . .
C9 C 0.9439(8) 0.6594(4) 0.3822(3) 0.012(2) Uani 1 1 d . . .
H9 H 0.8725 0.6295 0.3715 0.015 Uiso 1 1 calc R . .
C10 C 0.9173(8) 0.6874(4) 0.4349(3) 0.0085(19) Uani 1 1 d . . .
H10 H 0.9789 0.7230 0.4419 0.010 Uiso 1 1 calc R . .
C11 C 0.9517(8) 0.7061(4) 0.3386(3) 0.0115(19) Uani 1 1 d . . .
C12 C 1.0304(9) 0.7656(4) 0.3502(3) 0.016(2) Uani 1 1 d . . .
C13 C 1.1522(9) 0.7707(4) 0.3775(3) 0.022(2) Uani 1 1 d U . .
H13 H 1.1967 0.7348 0.3916 0.027 Uiso 1 1 calc R . .
C14 C 1.2040(10) 0.8309(5) 0.3829(4) 0.033(3) Uani 1 1 d . . .
H14 H 1.2859 0.8362 0.4012 0.040 Uiso 1 1 calc R . .
C15 C 1.1407(12) 0.8827(5) 0.3626(4) 0.040(3) Uani 1 1 d . . .
H15 H 1.1790 0.9231 0.3675 0.048 Uiso 1 1 calc R . .
C16 C 1.0230(12) 0.8776(4) 0.3352(4) 0.035(3) Uani 1 1 d . . .
H16 H 0.9803 0.9139 0.3209 0.042 Uiso 1 1 calc R . .
C17 C 0.9677(9) 0.8182(4) 0.3288(3) 0.024(2) Uani 1 1 d U . .
C18 C 0.8450(9) 0.7980(4) 0.3034(3) 0.017(2) Uani 1 1 d U . .
C19 C 0.7500(11) 0.8317(5) 0.2747(3) 0.036(3) Uani 1 1 d . . .
H19 H 0.7609 0.8753 0.2682 0.043 Uiso 1 1 calc R . .
C20 C 0.6390(10) 0.8007(6) 0.2556(4) 0.041(3) Uani 1 1 d . . .
H20 H 0.5730 0.8237 0.2365 0.050 Uiso 1 1 calc R . .
C21 C 0.6230(9) 0.7376(6) 0.2638(3) 0.037(3) Uani 1 1 d . . .
H21 H 0.5470 0.7173 0.2496 0.045 Uiso 1 1 calc R . .
C22 C 0.7170(9) 0.7025(5) 0.2927(3) 0.025(2) Uani 1 1 d . . .
H22 H 0.7047 0.6591 0.2997 0.031 Uiso 1 1 calc R . .
C23 C 0.8286(8) 0.7334(4) 0.3109(3) 0.016(2) Uani 1 1 d U . .
C24 C 0.7814(8) 0.7152(4) 0.4387(3) 0.0105(19) Uani 1 1 d U . .
C25 C 0.7583(8) 0.7817(4) 0.4219(3) 0.013(2) Uani 1 1 d U . .
C26 C 0.8287(9) 0.8351(4) 0.4313(3) 0.024(2) Uani 1 1 d . . .
H26 H 0.9117 0.8324 0.4491 0.029 Uiso 1 1 calc R . .
C27 C 0.7803(10) 0.8937(4) 0.4153(3) 0.029(3) Uani 1 1 d . . .
H27 H 0.8299 0.9309 0.4217 0.035 Uiso 1 1 calc R . .
C28 C 0.6586(11) 0.8969(5) 0.3897(4) 0.040(3) Uani 1 1 d . . .
H28 H 0.6240 0.9369 0.3794 0.048 Uiso 1 1 calc R . .
C29 C 0.5877(10) 0.8441(5) 0.3789(4) 0.034(3) Uani 1 1 d . . .
H29 H 0.5055 0.8470 0.3603 0.040 Uiso 1 1 calc R . .
C30 C 0.6362(8) 0.7862(4) 0.3951(3) 0.016(2) Uani 1 1 d U . .
C31 C 0.5825(8) 0.7233(4) 0.3886(3) 0.017(2) Uani 1 1 d U . .
C32 C 0.4694(9) 0.7017(5) 0.3622(3) 0.028(2) Uani 1 1 d U . .
H32 H 0.4114 0.7303 0.3444 0.034 Uiso 1 1 calc R . .
C33 C 0.4438(9) 0.6384(5) 0.3624(4) 0.037(3) Uani 1 1 d . . .
H33 H 0.3674 0.6233 0.3441 0.045 Uiso 1 1 calc R . .
C34 C 0.5263(10) 0.5955(5) 0.3886(4) 0.044(3) Uani 1 1 d . . .
H34 H 0.5055 0.5520 0.3889 0.053 Uiso 1 1 calc R . .
C35 C 0.6404(9) 0.6177(5) 0.4144(4) 0.030(3) Uani 1 1 d . . .
H35 H 0.6983 0.5891 0.4324 0.036 Uiso 1 1 calc R . .
C36 C 0.6682(8) 0.6814(4) 0.4137(3) 0.017(2) Uani 1 1 d . . .
C37 C 1.1686(8) 0.6664(4) 0.2451(3) 0.017(2) Uani 1 1 d . . .
C38 C 1.1910(8) 0.7253(4) 0.2233(3) 0.022(2) Uani 1 1 d . . .
C39 C 1.2843(9) 0.7309(5) 0.1890(3) 0.026(2) Uani 1 1 d . . .
H39 H 1.2994 0.7711 0.1750 0.032 Uiso 1 1 calc R . .
C40 C 1.3540(9) 0.6804(5) 0.1752(3) 0.028(2) Uani 1 1 d . . .
C41 C 1.3328(9) 0.6230(5) 0.1964(3) 0.030(3) Uani 1 1 d . . .
H41 H 1.3806 0.5876 0.1873 0.036 Uiso 1 1 calc R . .
C42 C 1.2416(9) 0.6152(4) 0.2316(3) 0.024(2) Uani 1 1 d . . .
C43 C 1.1190(10) 0.7841(4) 0.2347(4) 0.040(3) Uani 1 1 d . . .
H43A H 1.1615 0.8044 0.2651 0.060 Uiso 1 1 calc R . .
H43B H 1.0311 0.7730 0.2405 0.060 Uiso 1 1 calc R . .
H43C H 1.1175 0.8132 0.2060 0.060 Uiso 1 1 calc R . .
C44 C 1.4526(10) 0.6886(5) 0.1383(4) 0.043(3) Uani 1 1 d . . .
H44A H 1.4347 0.6592 0.1099 0.065 Uiso 1 1 calc R . .
H44B H 1.5379 0.6801 0.1555 0.065 Uiso 1 1 calc R . .
H44C H 1.4494 0.7319 0.1254 0.065 Uiso 1 1 calc R . .
C45 C 1.2254(10) 0.5488(4) 0.2505(4) 0.036(3) Uani 1 1 d . . .
H45A H 1.2893 0.5212 0.2374 0.055 Uiso 1 1 calc R . .
H45B H 1.1394 0.5335 0.2387 0.055 Uiso 1 1 calc R . .
H45C H 1.2371 0.5484 0.2876 0.055 Uiso 1 1 calc R . .
C46 C 0.9064(8) 0.5904(4) 0.2577(3) 0.019(2) Uani 1 1 d . . .
C47 C 0.8365(9) 0.6128(4) 0.2128(3) 0.026(2) Uani 1 1 d . . .
C48 C 0.7400(10) 0.5751(5) 0.1889(3) 0.033(3) Uani 1 1 d . . .
H48 H 0.6933 0.5902 0.1587 0.040 Uiso 1 1 calc R . .
C49 C 0.7097(10) 0.5172(5) 0.2071(4) 0.035(3) Uani 1 1 d . . .
C50 C 0.7826(10) 0.4956(5) 0.2505(4) 0.034(3) Uani 1 1 d . . .
H50 H 0.7646 0.4550 0.2631 0.041 Uiso 1 1 calc R . .
C51 C 0.8796(10) 0.5304(4) 0.2759(3) 0.026(2) Uani 1 1 d . . .
C52 C 0.8624(9) 0.6757(4) 0.1893(3) 0.025(2) Uani 1 1 d . . .
H52A H 0.7893 0.6877 0.1653 0.038 Uiso 1 1 calc R . .
H52B H 0.9394 0.6727 0.1715 0.038 Uiso 1 1 calc R . .
H52C H 0.8755 0.7077 0.2160 0.038 Uiso 1 1 calc R . .
C53 C 0.5997(10) 0.4785(5) 0.1831(4) 0.053(3) Uani 1 1 d . . .
H53A H 0.5234 0.4868 0.2004 0.080 Uiso 1 1 calc R . .
H53B H 0.6216 0.4337 0.1859 0.080 Uiso 1 1 calc R . .
H53C H 0.5826 0.4900 0.1472 0.080 Uiso 1 1 calc R . .
C54 C 0.9501(10) 0.5007(5) 0.3237(4) 0.043(3) Uani 1 1 d . . .
H54A H 1.0427 0.5040 0.3222 0.065 Uiso 1 1 calc R . .
H54B H 0.9260 0.4562 0.3257 0.065 Uiso 1 1 calc R . .
H54C H 0.9266 0.5230 0.3538 0.065 Uiso 1 1 calc R . .
C55 C 0.6450(9) 0.6791(4) 0.5562(3) 0.023(2) Uani 1 1 d U . .
C56 C 0.6923(9) 0.6512(5) 0.6025(3) 0.029(2) Uani 1 1 d . . .
C57 C 0.6024(11) 0.6202(4) 0.6307(3) 0.032(3) Uani 1 1 d . . .
H57 H 0.6329 0.6000 0.6615 0.039 Uiso 1 1 calc R . .
C58 C 0.4755(11) 0.6182(5) 0.6155(4) 0.033(3) Uani 1 1 d . . .
C59 C 0.4323(9) 0.6480(5) 0.5698(4) 0.035(3) Uani 1 1 d . . .
H59 H 0.3436 0.6468 0.5583 0.042 Uiso 1 1 calc R . .
C60 C 0.5145(9) 0.6791(4) 0.5408(3) 0.023(2) Uani 1 1 d U . .
C61 C 0.8314(10) 0.6509(5) 0.6250(3) 0.042(3) Uani 1 1 d . . .
H61A H 0.8753 0.6145 0.6120 0.062 Uiso 1 1 calc R . .
H61B H 0.8354 0.6483 0.6620 0.062 Uiso 1 1 calc R . .
H61C H 0.8732 0.6899 0.6154 0.062 Uiso 1 1 calc R . .
C62 C 0.3820(12) 0.5857(5) 0.6465(4) 0.057(4) Uani 1 1 d . . .
H62A H 0.4061 0.5939 0.6826 0.085 Uiso 1 1 calc R . .
H62B H 0.3836 0.5402 0.6402 0.085 Uiso 1 1 calc R . .
H62C H 0.2956 0.6020 0.6368 0.085 Uiso 1 1 calc R . .
C63 C 0.4565(9) 0.7106(5) 0.4930(4) 0.041(3) Uani 1 1 d . . .
H63A H 0.4290 0.6784 0.4677 0.061 Uiso 1 1 calc R . .
H63B H 0.5203 0.7381 0.4797 0.061 Uiso 1 1 calc R . .
H63C H 0.3825 0.7358 0.5004 0.061 Uiso 1 1 calc R . .
C64 C 0.8704(9) 0.7877(4) 0.5466(3) 0.021(2) Uani 1 1 d . . .
C65 C 0.7973(9) 0.8422(4) 0.5505(3) 0.020(2) Uani 1 1 d U . .
C66 C 0.8546(10) 0.8965(5) 0.5696(3) 0.030(3) Uani 1 1 d . . .
H66 H 0.8032 0.9331 0.5716 0.036 Uiso 1 1 calc R . .
C67 C 0.9830(11) 0.9005(4) 0.5859(4) 0.035(3) Uani 1 1 d . . .
C68 C 1.0559(10) 0.8467(5) 0.5817(3) 0.030(3) Uani 1 1 d . . .
H68 H 1.1449 0.8485 0.5924 0.036 Uiso 1 1 calc R . .
C69 C 1.0040(9) 0.7899(5) 0.5624(3) 0.026(2) Uani 1 1 d . . .
C70 C 0.6555(9) 0.8427(4) 0.5343(3) 0.030(3) Uani 1 1 d . . .
H70A H 0.6208 0.8846 0.5404 0.045 Uiso 1 1 calc R . .
H70B H 0.6131 0.8113 0.5539 0.045 Uiso 1 1 calc R . .
H70C H 0.6404 0.8326 0.4981 0.045 Uiso 1 1 calc R . .
C71 C 1.0407(12) 0.9592(5) 0.6092(5) 0.065(4) Uani 1 1 d . . .
H71A H 1.0095 0.9957 0.5889 0.097 Uiso 1 1 calc R . .
H71B H 1.1341 0.9569 0.6103 0.097 Uiso 1 1 calc R . .
H71C H 1.0163 0.9636 0.6437 0.097 Uiso 1 1 calc R . .
C72 C 1.0947(9) 0.7352(5) 0.5587(4) 0.033(3) Uani 1 1 d . . .
H72A H 1.1809 0.7475 0.5729 0.050 Uiso 1 1 calc R . .
H72B H 1.0962 0.7232 0.5231 0.050 Uiso 1 1 calc R . .
H72C H 1.0657 0.6993 0.5778 0.050 Uiso 1 1 calc R . .
C73 C 0.662(4) 1.066(2) 0.511(2) 0.12(2) Uani 0.50 1 d PDU A -1
H73A H 0.6136 1.0820 0.5382 0.185 Uiso 0.50 1 calc PR A -1
H73B H 0.6831 1.1001 0.4892 0.185 Uiso 0.50 1 calc PR A -1
H73C H 0.7414 1.0460 0.5268 0.185 Uiso 0.50 1 calc PR A -1
C74 C 0.585(2) 1.0181(15) 0.4816(10) 0.068(7) Uani 0.50 1 d PDU A -1
H74A H 0.5463 1.0377 0.4497 0.081 Uiso 0.50 1 calc PR A -1
H74B H 0.6409 0.9833 0.4725 0.081 Uiso 0.50 1 calc PR A -1
O100 O 0.486(3) 0.9931(17) 0.5078(12) 0.075(7) Uani 0.50 1 d PDU A -1
C75 C 0.395(3) 0.9559(15) 0.4781(8) 0.053(6) Uani 0.50 1 d PDU A -1
H75A H 0.4368 0.9172 0.4669 0.063 Uiso 0.50 1 calc PR A -1
H75B H 0.3614 0.9799 0.4476 0.063 Uiso 0.50 1 calc PR A -1
C76 C 0.288(3) 0.9386(18) 0.5080(16) 0.096(12) Uani 0.50 1 d PDU A -1
H76A H 0.3180 0.9069 0.5334 0.144 Uiso 0.50 1 calc PR A -1
H76B H 0.2174 0.9213 0.4853 0.144 Uiso 0.50 1 calc PR A -1
H76C H 0.2592 0.9762 0.5250 0.144 Uiso 0.50 1 calc PR A -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
_geom_angle_publ_flag
O1 Ge1 C37 103.3(3) . . ?
O1 Ge1 C46 110.9(3) . . ?
C37 Ge1 C46 111.2(3) . . ?
O1 Ge1 C11 87.9(3) . . ?
C37 Ge1 C11 130.7(3) . . ?
C46 Ge1 C11 108.9(3) . . ?
O2 Ge2 C64 111.1(3) . . ?
O2 Ge2 C55 99.8(3) . . ?
C64 Ge2 C55 114.5(4) . . ?
O2 Ge2 C24 89.6(3) . . ?
C64 Ge2 C24 109.5(3) . . ?
C55 Ge2 C24 127.4(3) . . ?
C1 O1 Ge1 113.2(5) . . ?
C8 O2 Ge2 113.0(5) . . ?
C2 C1 O1 120.2(8) . . ?
C2 C1 C9 124.4(8) . . ?
O1 C1 C9 115.0(7) . . ?
C1 C2 C3 122.9(8) . . ?
C1 C2 C7 119.8(8) . . ?
C3 C2 C7 117.3(7) . . ?
C4 C3 C2 120.4(9) . . ?
C3 C4 C5 120.8(9) . . ?
C6 C5 C4 122.1(9) . . ?
C5 C6 C7 121.2(9) . . ?
C8 C7 C6 123.3(8) . . ?
C8 C7 C2 118.5(7) . . ?
C6 C7 C2 118.2(8) . . ?
C7 C8 O2 119.0(7) . . ?
C7 C8 C10 123.4(7) . . ?
O2 C8 C10 116.9(7) . . ?
C1 C9 C11 108.2(7) . . ?
C1 C9 C10 109.9(6) . . ?
C11 C9 C10 117.1(6) . . ?
C8 C10 C24 109.9(6) . . ?
C8 C10 C9 110.6(6) . . ?
C24 C10 C9 116.6(6) . . ?
C12 C11 C9 117.0(6) . . ?
C12 C11 C23 101.4(6) . . ?
C9 C11 C23 119.9(7) . . ?
C12 C11 Ge1 111.1(5) . . ?
C9 C11 Ge1 98.8(5) . . ?
C23 C11 Ge1 108.7(5) . . ?
C17 C12 C13 121.1(8) . . ?
C17 C12 C11 111.1(8) . . ?
C13 C12 C11 127.9(8) . . ?
C14 C13 C12 116.7(9) . . ?
C15 C14 C13 121.9(10) . . ?
C14 C15 C16 121.4(10) . . ?
C15 C16 C17 118.6(9) . . ?
C12 C17 C16 120.3(9) . . ?
C12 C17 C18 108.3(8) . . ?
C16 C17 C18 131.4(9) . . ?
C19 C18 C23 119.3(9) . . ?
C19 C18 C17 130.9(9) . . ?
C23 C18 C17 109.8(7) . . ?
C20 C19 C18 119.1(9) . . ?
C21 C20 C19 121.1(9) . . ?
C20 C21 C22 121.0(10) . . ?
C23 C22 C21 117.5(9) . . ?
C22 C23 C18 121.8(8) . . ?
C22 C23 C11 129.0(8) . . ?
C18 C23 C11 109.2(7) . . ?
C36 C24 C25 103.0(6) . . ?
C36 C24 C10 119.0(7) . . ?
C25 C24 C10 117.5(7) . . ?
C36 C24 Ge2 110.6(5) . . ?
C25 C24 Ge2 107.8(5) . . ?
C10 C24 Ge2 98.5(4) . . ?
C26 C25 C30 119.2(8) . . ?
C26 C25 C24 131.6(8) . . ?
C30 C25 C24 109.1(7) . . ?
C25 C26 C27 120.8(9) . . ?
C28 C27 C26 118.8(9) . . ?
C29 C28 C27 121.4(9) . . ?
C28 C29 C30 119.4(10) . . ?
C29 C30 C25 120.4(9) . . ?
C29 C30 C31 130.8(9) . . ?
C25 C30 C31 108.7(7) . . ?
C36 C31 C32 120.6(8) . . ?
C36 C31 C30 107.9(8) . . ?
C32 C31 C30 131.5(8) . . ?
C33 C32 C31 118.6(9) . . ?
C32 C33 C34 121.9(9) . . ?
C33 C34 C35 118.9(10) . . ?
C36 C35 C34 119.5(9) . . ?
C35 C36 C31 120.4(8) . . ?
C35 C36 C24 128.8(8) . . ?
C31 C36 C24 110.8(8) . . ?
C42 C37 C38 117.8(8) . . ?
C42 C37 Ge1 116.7(6) . . ?
C38 C37 Ge1 125.4(6) . . ?
C37 C38 C39 119.8(8) . . ?
C37 C38 C43 123.0(8) . . ?
C39 C38 C43 117.2(8) . . ?
C40 C39 C38 122.3(9) . . ?
C39 C40 C41 118.1(9) . . ?
C39 C40 C44 120.4(9) . . ?
C41 C40 C44 121.4(9) . . ?
C40 C41 C42 121.7(9) . . ?
C37 C42 C41 120.3(9) . . ?
C37 C42 C45 123.8(8) . . ?
C41 C42 C45 115.8(9) . . ?
C51 C46 C47 119.2(8) . . ?
C51 C46 Ge1 125.2(7) . . ?
C47 C46 Ge1 115.5(7) . . ?
C48 C47 C46 118.8(9) . . ?
C48 C47 C52 118.3(8) . . ?
C46 C47 C52 122.8(8) . . ?
C49 C48 C47 122.6(9) . . ?
C48 C49 C50 117.4(9) . . ?
C48 C49 C53 122.4(10) . . ?
C50 C49 C53 120.2(10) . . ?
C51 C50 C49 122.9(9) . . ?
C50 C51 C46 119.0(9) . . ?
C50 C51 C54 117.0(8) . . ?
C46 C51 C54 124.0(9) . . ?
C60 C55 C56 120.3(8) . . ?
C60 C55 Ge2 126.0(6) . . ?
C56 C55 Ge2 113.6(7) . . ?
C55 C56 C57 117.3(9) . . ?
C55 C56 C61 125.6(9) . . ?
C57 C56 C61 117.1(8) . . ?
C58 C57 C56 123.1(9) . . ?
C57 C58 C59 117.6(9) . . ?
C57 C58 C62 122.0(10) . . ?
C59 C58 C62 120.4(10) . . ?
C60 C59 C58 122.1(9) . . ?
C59 C60 C55 119.4(8) . . ?
C59 C60 C63 117.3(9) . . ?
C55 C60 C63 123.2(8) . . ?
C65 C64 C69 118.9(8) . . ?
C65 C64 Ge2 117.2(7) . . ?
C69 C64 Ge2 123.9(7) . . ?
C66 C65 C64 119.9(9) . . ?
C66 C65 C70 118.8(8) . . ?
C64 C65 C70 121.3(8) . . ?
C65 C66 C67 123.1(9) . . ?
C66 C67 C68 117.2(9) . . ?
C66 C67 C71 121.7(10) . . ?
C68 C67 C71 121.1(10) . . ?
C67 C68 C69 122.8(10) . . ?
C68 C69 C64 118.1(9) . . ?
C68 C69 C72 117.5(9) . . ?
C64 C69 C72 124.4(9) . . ?
O100 C74 C73 113(2) . . ?
C74 O100 C75 115(2) . . ?
O100 C75 C76 110(2) . . ?
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
Ge1 O1 1.805(5) . ?
Ge1 C37 1.958(8) . ?
Ge1 C46 1.967(8) . ?
Ge1 C11 2.043(8) . ?
Ge2 O2 1.793(6) . ?
Ge2 C64 1.967(9) . ?
Ge2 C55 1.993(9) . ?
Ge2 C24 2.070(7) . ?
O1 C1 1.364(10) . ?
O2 C8 1.369(9) . ?
C1 C2 1.344(11) . ?
C1 C9 1.527(11) . ?
C2 C3 1.456(12) . ?
C2 C7 1.475(11) . ?
C3 C4 1.358(12) . ?
C4 C5 1.424(14) . ?
C5 C6 1.319(12) . ?
C6 C7 1.439(11) . ?
C7 C8 1.367(11) . ?
C8 C10 1.511(11) . ?
C9 C11 1.530(10) . ?
C9 C10 1.570(10) . ?
C10 C24 1.557(11) . ?
C11 C12 1.522(11) . ?
C11 C23 1.534(11) . ?
C12 C17 1.387(12) . ?
C12 C13 1.408(12) . ?
C13 C14 1.390(12) . ?
C14 C15 1.365(14) . ?
C15 C16 1.372(14) . ?
C16 C17 1.391(12) . ?
C17 C18 1.456(12) . ?
C18 C19 1.389(12) . ?
C18 C23 1.397(11) . ?
C19 C20 1.388(14) . ?
C20 C21 1.369(14) . ?
C21 C22 1.402(12) . ?
C22 C23 1.386(12) . ?
C24 C36 1.486(11) . ?
C24 C25 1.492(11) . ?
C25 C26 1.362(11) . ?
C25 C30 1.404(11) . ?
C26 C27 1.393(12) . ?
C27 C28 1.387(13) . ?
C28 C29 1.360(13) . ?
C29 C30 1.382(12) . ?
C30 C31 1.452(12) . ?
C31 C36 1.385(11) . ?
C31 C32 1.393(12) . ?
C32 C33 1.369(13) . ?
C33 C34 1.392(13) . ?
C34 C35 1.399(13) . ?
C35 C36 1.383(12) . ?
C37 C42 1.398(12) . ?
C37 C38 1.406(11) . ?
C38 C39 1.409(12) . ?
C38 C43 1.505(12) . ?
C39 C40 1.367(12) . ?
C40 C41 1.369(13) . ?
C40 C44 1.507(13) . ?
C41 C42 1.413(12) . ?
C42 C45 1.511(12) . ?
C46 C51 1.400(12) . ?
C46 C47 1.416(12) . ?
C47 C48 1.390(12) . ?
C47 C52 1.509(12) . ?
C48 C49 1.370(13) . ?
C49 C50 1.393(14) . ?
C49 C53 1.504(13) . ?
C50 C51 1.377(13) . ?
C51 C54 1.536(13) . ?
C55 C60 1.390(12) . ?
C55 C56 1.408(12) . ?
C56 C57 1.423(13) . ?
C56 C61 1.520(13) . ?
C57 C58 1.352(14) . ?
C58 C59 1.402(13) . ?
C58 C62 1.510(13) . ?
C59 C60 1.380(12) . ?
C60 C63 1.507(12) . ?
C64 C65 1.398(12) . ?
C64 C69 1.424(12) . ?
C65 C66 1.373(12) . ?
C65 C70 1.507(12) . ?
C66 C67 1.375(13) . ?
C67 C68 1.384(13) . ?
C67 C71 1.491(13) . ?
C68 C69 1.398(12) . ?
C69 C72 1.510(12) . ?
C73 C74 1.47(3) . ?
C74 O100 1.41(3) . ?
O100 C75 1.41(3) . ?
C75 C76 1.48(3) . ?
