#------------------------------------------------------------------------------
#$Date: 2023-06-29 14:09:57 +0300 (Thu, 29 Jun 2023) $
#$Revision: 284629 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/33/7713310.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_7713310
loop_
_publ_author_name
'McLoughlin, Connor P.'
'Kaseman, Derrick C.'
'Fettinger, James C.'
'Power, Philip P.'
_publ_section_title
;
 Rearrangement of a Ge(II) aryloxide to yield a new Ge(II) oxo-cluster
 [Ge₆(μ₃-O)₄(μ₂-OC₆H₂-2,4,6-Cy₃)₄](NH₃)<sub>0.5</sub>:
 main group aryloxides of Ge(II), Sn(II), and Pb(II)
 [M(OC₆H₂-2,4,6-Cy₃)₂]₂
 (Cy = cyclohexyl).
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d3dt00906h
_journal_year                    2023
_chemical_formula_moiety         'C96 H140 Ge2 O4 [+ solvent]'
_chemical_formula_sum            'C96 H140 Ge2 O4'
_chemical_formula_weight         1503.31
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-06-17 deposited with the CCDC.	2023-06-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.2858(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.3073(12)
_cell_length_b                   16.9581(11)
_cell_length_c                   31.157(2)
_cell_measurement_reflns_used    9646
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.41
_cell_volume                     10037.3(11)
_computing_cell_refinement       'SAINT (8.38a) (Bruker, 2017)'
_computing_data_collection       'Apex3 (2019.11-0) (Bruker, 2019)'
_computing_data_reduction        'SAINT (8.38a) (Bruker, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution
'SHELXT (Sheldrick, 2015) Acta Cryst., A71, 3-8'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Photon2 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            88299
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.510
_diffrn_reflns_theta_min         1.072
_exptl_absorpt_coefficient_mu    0.641
_exptl_absorpt_correction_T_max  0.8832
_exptl_absorpt_correction_T_min  0.8432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Sheldrick, 2016)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    0.995
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             3248
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.186
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.006
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     919
_refine_ls_number_reflns         23068
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0374P)²+5.0138P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0905
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17986
_reflns_number_total             23068
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00906h2.cif
_cod_data_source_block           CM79FMI_SQ
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_cell_volume        10037.4(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7713310
_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   0.793
_shelx_estimated_absorpt_t_max   0.951
loop_
_space_group_symop_operation_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_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
Ge1 Ge 0.71388(2) 0.45593(2) 0.72243(2) 0.01783(4) Uani 1 1 d . . . . .
Ge2 Ge 0.78723(2) 0.60532(2) 0.77883(2) 0.01858(4) Uani 1 1 d . . . . .
O1 O 0.68914(5) 0.50256(6) 0.66892(3) 0.0230(2) Uani 1 1 d . . . . .
O2 O 0.81280(6) 0.55889(6) 0.83243(3) 0.0232(2) Uani 1 1 d . . . . .
O3 O 0.69566(5) 0.54919(6) 0.75841(3) 0.0198(2) Uani 1 1 d . . . . .
O4 O 0.80534(5) 0.51204(6) 0.74292(3) 0.0189(2) Uani 1 1 d . . . . .
C1 C 0.65620(8) 0.45501(9) 0.63461(5) 0.0221(3) Uani 1 1 d . . . . .
C2 C 0.69703(8) 0.41486(10) 0.60818(5) 0.0237(3) Uani 1 1 d . . . . .
C3 C 0.66295(8) 0.36823(10) 0.57410(5) 0.0268(3) Uani 1 1 d . . . . .
H3 H 0.690616 0.341412 0.556374 0.032 Uiso 1 1 calc R U . . .
C4 C 0.59024(8) 0.35910(10) 0.56483(5) 0.0280(3) Uani 1 1 d . . . . .
C5 C 0.55168(8) 0.39983(10) 0.59112(5) 0.0280(3) Uani 1 1 d . . . . .
H5 H 0.501854 0.395097 0.585193 0.034 Uiso 1 1 calc R U . . .
C6 C 0.58242(8) 0.44747(9) 0.62588(5) 0.0237(3) Uani 1 1 d . . . . .
C7 C 0.77682(8) 0.41392(10) 0.61732(5) 0.0236(3) Uani 1 1 d . . . . .
H7 H 0.793610 0.453919 0.640420 0.028 Uiso 1 1 calc R U . . .
C8 C 0.80147(8) 0.33229(10) 0.63485(6) 0.0301(4) Uani 1 1 d . . . . .
H8A H 0.785365 0.323448 0.662904 0.036 Uiso 1 1 calc R U . . .
H8B H 0.779267 0.291633 0.614045 0.036 Uiso 1 1 calc R U . . .
C9 C 0.88104(9) 0.32240(12) 0.64185(6) 0.0368(4) Uani 1 1 d . . . . .
H9A H 0.893751 0.267949 0.651684 0.044 Uiso 1 1 calc R U . . .
H9B H 0.903521 0.359179 0.664855 0.044 Uiso 1 1 calc R U . . .
C10 C 0.90800(9) 0.33898(12) 0.59969(6) 0.0396(4) Uani 1 1 d . . . . .
H10A H 0.959810 0.332839 0.604671 0.047 Uiso 1 1 calc R U . . .
H10B H 0.887239 0.300666 0.577029 0.047 Uiso 1 1 calc R U . . .
C11 C 0.88821(9) 0.42245(12) 0.58416(6) 0.0355(4) Uani 1 1 d . . . . .
H11A H 0.905541 0.432623 0.556625 0.043 Uiso 1 1 calc R U . . .
H11B H 0.911080 0.460701 0.606225 0.043 Uiso 1 1 calc R U . . .
C12 C 0.80840(8) 0.43411(11) 0.57670(5) 0.0292(4) Uani 1 1 d . . . . .
H12A H 0.786243 0.400333 0.552135 0.035 Uiso 1 1 calc R U . . .
H12B H 0.797349 0.489680 0.568437 0.035 Uiso 1 1 calc R U . . .
C13 C 0.55466(9) 0.30520(11) 0.52883(5) 0.0306(4) Uani 1 1 d . . . . .
H13 H 0.502843 0.308353 0.528492 0.037 Uiso 1 1 calc R U . . .
C14 C 0.57644(11) 0.21923(11) 0.53744(6) 0.0396(4) Uani 1 1 d . . . . .
H14A H 0.565838 0.202860 0.566076 0.047 Uiso 1 1 calc R U . . .
H14B H 0.627849 0.214239 0.538668 0.047 Uiso 1 1 calc R U . . .
C15 C 0.53791(12) 0.16474(13) 0.50189(6) 0.0478(5) Uani 1 1 d . . . . .
H15A H 0.554795 0.109972 0.507639 0.057 Uiso 1 1 calc R U . . .
H15B H 0.486811 0.165759 0.502466 0.057 Uiso 1 1 calc R U . . .
C16 C 0.55047(11) 0.19052(12) 0.45711(6) 0.0425(5) Uani 1 1 d . . . . .
H16A H 0.600963 0.184228 0.455612 0.051 Uiso 1 1 calc R U . . .
H16B H 0.523074 0.156285 0.434494 0.051 Uiso 1 1 calc R U . . .
C17 C 0.52909(10) 0.27560(12) 0.44793(6) 0.0394(4) Uani 1 1 d . . . . .
H17A H 0.477587 0.280773 0.446173 0.047 Uiso 1 1 calc R U . . .
H17B H 0.540545 0.291518 0.419433 0.047 Uiso 1 1 calc R U . . .
C18 C 0.56709(10) 0.33030(11) 0.48369(5) 0.0361(4) Uani 1 1 d . . . . .
H18A H 0.618226 0.329562 0.483219 0.043 Uiso 1 1 calc R U . . .
H18B H 0.550036 0.384962 0.477753 0.043 Uiso 1 1 calc R U . . .
C19 C 0.53361(8) 0.48701(9) 0.65250(5) 0.0235(3) Uani 1 1 d . . . . .
H19 H 0.562513 0.518662 0.676261 0.028 Uiso 1 1 calc R U . . .
C20 C 0.48171(8) 0.54226(10) 0.62386(5) 0.0285(3) Uani 1 1 d . . . . .
H20A H 0.508337 0.585103 0.612583 0.034 Uiso 1 1 calc R U . . .
H20B H 0.456445 0.512337 0.598549 0.034 Uiso 1 1 calc R U . . .
C21 C 0.42827(9) 0.57828(11) 0.64865(6) 0.0357(4) Uani 1 1 d . . . . .
H21A H 0.452938 0.612722 0.672163 0.043 Uiso 1 1 calc R U . . .
H21B H 0.394696 0.611244 0.628547 0.043 Uiso 1 1 calc R U . . .
C22 C 0.38804(9) 0.51472(12) 0.66838(7) 0.0410(5) Uani 1 1 d . . . . .
H22A H 0.355510 0.539730 0.685547 0.049 Uiso 1 1 calc R U . . .
H22B H 0.359605 0.483482 0.644744 0.049 Uiso 1 1 calc R U . . .
C23 C 0.43836(10) 0.46052(11) 0.69770(6) 0.0361(4) Uani 1 1 d . . . . .
H23A H 0.411305 0.417882 0.708818 0.043 Uiso 1 1 calc R U . . .
H23B H 0.463085 0.490776 0.723045 0.043 Uiso 1 1 calc R U . . .
C24 C 0.49238(9) 0.42434(10) 0.67323(5) 0.0306(4) Uani 1 1 d . . . . .
H24A H 0.467903 0.389072 0.650065 0.037 Uiso 1 1 calc R U . . .
H24B H 0.525873 0.391924 0.693708 0.037 Uiso 1 1 calc R U . . .
C25 C 0.84572(8) 0.60694(9) 0.86644(5) 0.0225(3) Uani 1 1 d . . . . .
C26 C 0.80508(8) 0.64701(9) 0.89296(5) 0.0235(3) Uani 1 1 d . . . . .
C27 C 0.83928(8) 0.69413(10) 0.92678(5) 0.0268(3) Uani 1 1 d . . . . .
H27 H 0.811777 0.720702 0.944692 0.032 Uiso 1 1 calc R U . . .
C28 C 0.91185(8) 0.70402(10) 0.93550(5) 0.0270(3) Uani 1 1 d . . . . .
C29 C 0.95031(8) 0.66365(10) 0.90912(5) 0.0269(3) Uani 1 1 d . . . . .
H29 H 1.000057 0.669366 0.914594 0.032 Uiso 1 1 calc R U . . .
C30 C 0.91950(8) 0.61481(9) 0.87478(5) 0.0245(3) Uani 1 1 d . . . . .
C31 C 0.72538(8) 0.64725(10) 0.88443(5) 0.0264(3) Uani 1 1 d . . . . .
H31 H 0.708397 0.608668 0.860594 0.032 Uiso 1 1 calc R U . . .
C32 C 0.69965(9) 0.72997(11) 0.86878(7) 0.0383(4) Uani 1 1 d . . . . .
H32A H 0.721336 0.769448 0.890496 0.046 Uiso 1 1 calc R U . . .
H32B H 0.715439 0.741580 0.840910 0.046 Uiso 1 1 calc R U . . .
C33 C 0.61994(10) 0.73784(14) 0.86220(8) 0.0529(6) Uani 1 1 d . . . . .
H33A H 0.606200 0.792478 0.853265 0.064 Uiso 1 1 calc R U . . .
H33B H 0.598034 0.701878 0.838610 0.064 Uiso 1 1 calc R U . . .
C34 C 0.59368(11) 0.71824(16) 0.90335(8) 0.0644(8) Uani 1 1 d . . . . .
H34A H 0.541777 0.723279 0.898397 0.077 Uiso 1 1 calc R U . . .
H34B H 0.613733 0.755803 0.926594 0.077 Uiso 1 1 calc R U . . .
C35 C 0.61476(10) 0.63425(16) 0.91781(7) 0.0571(7) Uani 1 1 d . . . . .
H35A H 0.592094 0.596588 0.895336 0.069 Uiso 1 1 calc R U . . .
H35B H 0.597861 0.622446 0.945301 0.069 Uiso 1 1 calc R U . . .
C36 C 0.69529(10) 0.62351(13) 0.92488(6) 0.0401(4) Uani 1 1 d . . . . .
H36A H 0.717447 0.656060 0.949992 0.048 Uiso 1 1 calc R U . . .
H36B H 0.707024 0.567639 0.931979 0.048 Uiso 1 1 calc R U . . .
C37 C 0.94697(8) 0.76068(10) 0.97030(5) 0.0288(4) Uani 1 1 d . . . . .
H37 H 0.998754 0.758480 0.970379 0.035 Uiso 1 1 calc R U . . .
C38 C 0.92315(9) 0.84551(10) 0.95972(6) 0.0328(4) Uani 1 1 d . . . . .
H38A H 0.871746 0.849317 0.958815 0.039 Uiso 1 1 calc R U . . .
H38B H 0.932643 0.859689 0.930490 0.039 Uiso 1 1 calc R U . . .
C39 C 0.96082(10) 0.90401(11) 0.99333(6) 0.0380(4) Uani 1 1 d . . . . .
H39A H 1.011627 0.904806 0.991890 0.046 Uiso 1 1 calc R U . . .
H39B H 0.941793 0.957598 0.986310 0.046 Uiso 1 1 calc R U . . .
C40 C 0.95144(10) 0.88199(12) 1.03914(6) 0.0395(4) Uani 1 1 d . . . . .
H40A H 0.979661 0.918113 1.060347 0.047 Uiso 1 1 calc R U . . .
H40B H 0.901356 0.888267 1.041696 0.047 Uiso 1 1 calc R U . . .
C41 C 0.97419(10) 0.79766(12) 1.04999(6) 0.0392(4) Uani 1 1 d . . . . .
H41A H 0.964476 0.784041 1.079240 0.047 Uiso 1 1 calc R U . . .
H41B H 1.025552 0.793022 1.050915 0.047 Uiso 1 1 calc R U . . .
C42 C 0.93570(10) 0.73949(11) 1.01641(5) 0.0338(4) Uani 1 1 d . . . . .
H42A H 0.884739 0.740374 1.017386 0.041 Uiso 1 1 calc R U . . .
H42B H 0.953352 0.685463 1.023769 0.041 Uiso 1 1 calc R U . . .
C43 C 0.96849(8) 0.57595(9) 0.84806(5) 0.0243(3) Uani 1 1 d . . . . .
H43 H 0.939746 0.543610 0.824557 0.029 Uiso 1 1 calc R U . . .
C44 C 1.02186(9) 0.52178(10) 0.87646(5) 0.0302(4) Uani 1 1 d . . . . .
H44A H 1.047450 0.552290 0.901440 0.036 Uiso 1 1 calc R U . . .
H44B H 0.996336 0.478521 0.888238 0.036 Uiso 1 1 calc R U . . .
C45 C 1.07490(9) 0.48658(11) 0.85069(6) 0.0386(4) Uani 1 1 d . . . . .
H45A H 1.109470 0.454108 0.870420 0.046 Uiso 1 1 calc R U . . .
H45B H 1.049900 0.451778 0.827472 0.046 Uiso 1 1 calc R U . . .
C46 C 1.11331(10) 0.55034(13) 0.83034(7) 0.0466(5) Uani 1 1 d . . . . .
H46A H 1.142195 0.581911 0.853638 0.056 Uiso 1 1 calc R U . . .
H46B H 1.145297 0.525749 0.812666 0.056 Uiso 1 1 calc R U . . .
C47 C 1.06188(11) 0.60380(12) 0.80169(6) 0.0413(5) Uani 1 1 d . . . . .
H47A H 1.036865 0.573344 0.776509 0.050 Uiso 1 1 calc R U . . .
H47B H 1.088053 0.646894 0.790276 0.050 Uiso 1 1 calc R U . . .
C48 C 1.00830(10) 0.63905(10) 0.82678(6) 0.0331(4) Uani 1 1 d . . . . .
H48A H 0.973988 0.671009 0.806567 0.040 Uiso 1 1 calc R U . . .
H48B H 1.032939 0.674664 0.849712 0.040 Uiso 1 1 calc R U . . .
C49 C 0.62964(7) 0.56934(9) 0.76766(5) 0.0218(3) Uani 1 1 d . . . . .
C50 C 0.59664(8) 0.63878(10) 0.74965(5) 0.0251(3) Uani 1 1 d . . . . .
C51 C 0.52978(8) 0.65480(10) 0.75828(6) 0.0302(4) Uani 1 1 d . . . . .
H51 H 0.506424 0.701205 0.746260 0.036 Uiso 1 1 calc R U . . .
C52 C 0.49587(8) 0.60644(10) 0.78347(6) 0.0326(4) Uani 1 1 d . . . . .
C53 C 0.53110(8) 0.53944(10) 0.80182(6) 0.0309(4) Uani 1 1 d . . . . .
H53 H 0.508879 0.506497 0.819962 0.037 Uiso 1 1 calc R U . . .
C54 C 0.59831(8) 0.51914(10) 0.79434(5) 0.0254(3) Uani 1 1 d . . . . .
C55 C 0.63083(8) 0.69694(9) 0.72273(5) 0.0251(3) Uani 1 1 d . . . . .
H55 H 0.679085 0.676837 0.721373 0.030 Uiso 1 1 calc R U . . .
C56 C 0.59110(11) 0.70517(11) 0.67574(6) 0.0413(5) Uani 1 1 d . . . . .
H56A H 0.541843 0.720890 0.676152 0.050 Uiso 1 1 calc R U . . .
H56B H 0.590217 0.653493 0.660870 0.050 Uiso 1 1 calc R U . . .
C57 C 0.62552(12) 0.76662(12) 0.65009(6) 0.0475(5) Uani 1 1 d . . . . .
H57A H 0.673156 0.748376 0.647151 0.057 Uiso 1 1 calc R U . . .
H57B H 0.597264 0.772051 0.620425 0.057 Uiso 1 1 calc R U . . .
C58 C 0.63104(10) 0.84663(11) 0.67281(7) 0.0434(5) Uani 1 1 d . . . . .
H58A H 0.655113 0.884504 0.656264 0.052 Uiso 1 1 calc R U . . .
H58B H 0.583274 0.867125 0.673610 0.052 Uiso 1 1 calc R U . . .
C59 C 0.67189(9) 0.83898(10) 0.71891(6) 0.0341(4) Uani 1 1 d . . . . .
H59A H 0.673061 0.890735 0.733730 0.041 Uiso 1 1 calc R U . . .
H59B H 0.721001 0.823494 0.717862 0.041 Uiso 1 1 calc R U . . .
C60 C 0.63909(9) 0.77819(10) 0.74487(6) 0.0344(4) Uani 1 1 d . . . . .
H60A H 0.592215 0.797186 0.748947 0.041 Uiso 1 1 calc R U . . .
H60B H 0.668804 0.772712 0.774091 0.041 Uiso 1 1 calc R U . . .
C61 C 0.42106(9) 0.62854(11) 0.78846(7) 0.0413(5) Uani 1 1 d . . . . .
H61 H 0.397319 0.646741 0.758953 0.050 Uiso 1 1 calc R U . . .
C62 C 0.41985(8) 0.69930(10) 0.81867(6) 0.0320(4) Uani 1 1 d . . . . .
H62A H 0.445985 0.685907 0.848063 0.038 Uiso 1 1 calc R U . . .
H62B H 0.444094 0.744279 0.807499 0.038 Uiso 1 1 calc R U . . .
C63 C 0.34532(10) 0.72376(12) 0.82220(9) 0.0520(6) Uani 1 1 d . . . . .
H63A H 0.347649 0.763721 0.845580 0.062 Uiso 1 1 calc R U . . .
H63B H 0.323203 0.748958 0.794461 0.062 Uiso 1 1 calc R U . . .
C64 C 0.30036(11) 0.65843(14) 0.83157(9) 0.0617(7) Uani 1 1 d . . . . .
H64A H 0.251260 0.677515 0.828520 0.074 Uiso 1 1 calc R U . . .
H64B H 0.315743 0.641484 0.862192 0.074 Uiso 1 1 calc R U . . .
C65 C 0.30210(9) 0.58746(12) 0.80164(8) 0.0450(5) Uani 1 1 d . . . . .
H65A H 0.277489 0.600904 0.771881 0.054 Uiso 1 1 calc R U . . .
H65B H 0.276850 0.542817 0.812344 0.054 Uiso 1 1 calc R U . . .
C66 C 0.37779(10) 0.56252(12) 0.79987(9) 0.0558(6) Uani 1 1 d . . . . .
H66A H 0.399790 0.541024 0.828625 0.067 Uiso 1 1 calc R U . . .
H66B H 0.376928 0.519998 0.778008 0.067 Uiso 1 1 calc R U . . .
C67 C 0.63339(8) 0.44428(10) 0.81351(5) 0.0267(3) Uani 1 1 d . . . . .
H67 H 0.682204 0.443773 0.806908 0.032 Uiso 1 1 calc R U . . .
C68 C 0.63983(10) 0.43983(11) 0.86340(6) 0.0369(4) Uani 1 1 d . . . . .
H68A H 0.665134 0.486939 0.876888 0.044 Uiso 1 1 calc R U . . .
H68B H 0.592255 0.439518 0.871102 0.044 Uiso 1 1 calc R U . . .
C69 C 0.67918(11) 0.36611(12) 0.88109(6) 0.0439(5) Uani 1 1 d . . . . .
H69A H 0.681183 0.363556 0.913031 0.053 Uiso 1 1 calc R U . . .
H69B H 0.728084 0.368962 0.875635 0.053 Uiso 1 1 calc R U . . .
C70 C 0.64436(11) 0.29159(12) 0.86018(7) 0.0458(5) Uani 1 1 d . . . . .
H70A H 0.673827 0.245359 0.870762 0.055 Uiso 1 1 calc R U . . .
H70B H 0.597961 0.284704 0.869020 0.055 Uiso 1 1 calc R U . . .
C71 C 0.63447(10) 0.29531(11) 0.81065(6) 0.0380(4) Uani 1 1 d . . . . .
H71A H 0.607305 0.248714 0.798047 0.046 Uiso 1 1 calc R U . . .
H71B H 0.681089 0.293608 0.801635 0.046 Uiso 1 1 calc R U . . .
C72 C 0.59588(9) 0.37024(10) 0.79283(6) 0.0321(4) Uani 1 1 d . . . . .
H72A H 0.547242 0.368983 0.798841 0.039 Uiso 1 1 calc R U . . .
H72B H 0.593094 0.372316 0.760815 0.039 Uiso 1 1 calc R U . . .
C73 C 0.87148(7) 0.49165(9) 0.73369(5) 0.0195(3) Uani 1 1 d . . . . .
C74 C 0.90478(8) 0.42335(9) 0.75244(5) 0.0209(3) Uani 1 1 d . . . . .
C75 C 0.97207(8) 0.40740(9) 0.74397(5) 0.0223(3) Uani 1 1 d . . . . .
H75 H 0.995771 0.361542 0.756479 0.027 Uiso 1 1 calc R U . . .
C76 C 1.00588(8) 0.45549(9) 0.71811(5) 0.0224(3) Uani 1 1 d . . . . .
C77 C 0.96977(8) 0.52117(9) 0.69917(5) 0.0230(3) Uani 1 1 d . . . . .
H77 H 0.991545 0.553770 0.680635 0.028 Uiso 1 1 calc R U . . .
C78 C 0.90235(8) 0.54109(9) 0.70640(5) 0.0208(3) Uani 1 1 d . . . . .
C79 C 0.87155(8) 0.36608(9) 0.78042(5) 0.0239(3) Uani 1 1 d . . . . .
H79 H 0.823420 0.386147 0.782146 0.029 Uiso 1 1 calc R U . . .
C80 C 0.91297(10) 0.35979(11) 0.82714(5) 0.0338(4) Uani 1 1 d . . . . .
H80A H 0.962311 0.345221 0.826125 0.041 Uiso 1 1 calc R U . . .
H80B H 0.913378 0.411858 0.841546 0.041 Uiso 1 1 calc R U . . .
C81 C 0.88145(11) 0.29875(12) 0.85396(6) 0.0418(5) Uani 1 1 d . . . . .
H81A H 0.911203 0.294599 0.883239 0.050 Uiso 1 1 calc R U . . .
H81B H 0.833991 0.316226 0.857746 0.050 Uiso 1 1 calc R U . . .
C82 C 0.87602(11) 0.21811(11) 0.83208(7) 0.0426(5) Uani 1 1 d . . . . .
H82A H 0.923739 0.198453 0.830393 0.051 Uiso 1 1 calc R U . . .
H82B H 0.853769 0.180304 0.849673 0.051 Uiso 1 1 calc R U . . .
C83 C 0.83253(9) 0.22363(11) 0.78650(6) 0.0357(4) Uani 1 1 d . . . . .
H83A H 0.783627 0.238586 0.788464 0.043 Uiso 1 1 calc R U . . .
H83B H 0.831217 0.171413 0.772164 0.043 Uiso 1 1 calc R U . . .
C84 C 0.86324(9) 0.28436(10) 0.75906(6) 0.0300(4) Uani 1 1 d . . . . .
H84A H 0.832155 0.288715 0.730224 0.036 Uiso 1 1 calc R U . . .
H84B H 0.909847 0.265801 0.754214 0.036 Uiso 1 1 calc R U . . .
C85 C 1.08017(8) 0.43444(9) 0.71219(5) 0.0232(3) Uani 1 1 d . . . . .
H85 H 1.106959 0.419434 0.741549 0.028 Uiso 1 1 calc R U . . .
C86 C 1.08071(8) 0.36248(10) 0.68231(6) 0.0294(4) Uani 1 1 d . . . . .
H86A H 1.056157 0.318059 0.693771 0.035 Uiso 1 1 calc R U . . .
H86B H 1.054800 0.375394 0.652790 0.035 Uiso 1 1 calc R U . . .
C87 C 1.15575(9) 0.33735(10) 0.67923(7) 0.0349(4) Uani 1 1 d . . . . .
H87A H 1.179849 0.318174 0.708069 0.042 Uiso 1 1 calc R U . . .
H87B H 1.154033 0.293380 0.658168 0.042 Uiso 1 1 calc R U . . .
C88 C 1.19737(9) 0.40549(11) 0.66471(6) 0.0354(4) Uani 1 1 d . . . . .
H88A H 1.246837 0.388885 0.665907 0.042 Uiso 1 1 calc R U . . .
H88B H 1.177507 0.419153 0.634094 0.042 Uiso 1 1 calc R U . . .
C89 C 1.19560(8) 0.47778(10) 0.69325(7) 0.0351(4) Uani 1 1 d . . . . .
H89A H 1.219782 0.522027 0.681355 0.042 Uiso 1 1 calc R U . . .
H89B H 1.221253 0.466360 0.723039 0.042 Uiso 1 1 calc R U . . .
C90 C 1.11999(8) 0.50196(10) 0.69548(6) 0.0311(4) Uani 1 1 d . . . . .
H90A H 1.120624 0.547963 0.715111 0.037 Uiso 1 1 calc R U . . .
H90B H 1.095481 0.517750 0.666080 0.037 Uiso 1 1 calc R U . . .
C91 C 0.86719(8) 0.61602(9) 0.68665(5) 0.0226(3) Uani 1 1 d . . . . .
H91 H 0.817271 0.615280 0.691306 0.027 Uiso 1 1 calc R U . . .
C92 C 0.86603(9) 0.62246(10) 0.63744(5) 0.0294(4) Uani 1 1 d . . . . .
H92A H 0.914914 0.623050 0.631842 0.035 Uiso 1 1 calc R U . . .
H92B H 0.841901 0.575813 0.622571 0.035 Uiso 1 1 calc R U . . .
C93 C 0.82807(10) 0.69731(11) 0.61882(6) 0.0357(4) Uani 1 1 d . . . . .
H93A H 0.830126 0.701216 0.587373 0.043 Uiso 1 1 calc R U . . .
H93B H 0.777932 0.694110 0.621766 0.043 Uiso 1 1 calc R U . . .
C94 C 0.86077(11) 0.77090(11) 0.64210(7) 0.0410(4) Uani 1 1 d . . . . .
H94A H 0.908734 0.778355 0.635655 0.049 Uiso 1 1 calc R U . . .
H94B H 0.832278 0.817556 0.631009 0.049 Uiso 1 1 calc R U . . .
C95 C 0.86474(10) 0.76470(10) 0.69098(6) 0.0360(4) Uani 1 1 d . . . . .
H95A H 0.816483 0.764974 0.697635 0.043 Uiso 1 1 calc R U . . .
H95B H 0.889965 0.811207 0.705280 0.043 Uiso 1 1 calc R U . . .
C96 C 0.90257(8) 0.68975(10) 0.70946(6) 0.0283(3) Uani 1 1 d . . . . .
H96A H 0.902004 0.686509 0.741124 0.034 Uiso 1 1 calc R U . . .
H96B H 0.952291 0.691848 0.705512 0.034 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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 O3 97.20(4) . . ?
O1 Ge1 O4 99.01(4) . . ?
O3 Ge1 O4 71.37(4) . . ?
O2 Ge2 O4 97.13(4) . . ?
O2 Ge2 O3 99.43(4) . . ?
O4 Ge2 O3 71.37(4) . . ?
C1 O1 Ge1 117.16(9) . . ?
C25 O2 Ge2 116.93(9) . . ?
C49 O3 Ge1 124.42(9) . . ?
C49 O3 Ge2 127.00(9) . . ?
Ge1 O3 Ge2 108.57(4) . . ?
C73 O4 Ge2 124.44(9) . . ?
C73 O4 Ge1 126.87(9) . . ?
Ge2 O4 Ge1 108.69(4) . . ?
O1 C1 C6 120.44(13) . . ?
O1 C1 C2 119.93(13) . . ?
C6 C1 C2 119.63(14) . . ?
C3 C2 C1 118.81(14) . . ?
C3 C2 C7 117.62(14) . . ?
C1 C2 C7 123.35(14) . . ?
C4 C3 C2 122.96(15) . . ?
C4 C3 H3 118.5 . . ?
C2 C3 H3 118.5 . . ?
C5 C4 C3 116.79(15) . . ?
C5 C4 C13 121.23(14) . . ?
C3 C4 C13 121.95(15) . . ?
C4 C5 C6 123.25(15) . . ?
C4 C5 H5 118.4 . . ?
C6 C5 H5 118.4 . . ?
C5 C6 C1 118.55(14) . . ?
C5 C6 C19 117.39(14) . . ?
C1 C6 C19 124.05(14) . . ?
C2 C7 C8 108.48(13) . . ?
C2 C7 C12 112.45(12) . . ?
C8 C7 C12 110.54(14) . . ?
C2 C7 H7 108.4 . . ?
C8 C7 H7 108.4 . . ?
C12 C7 H7 108.4 . . ?
C9 C8 C7 113.07(14) . . ?
C9 C8 H8A 109.0 . . ?
C7 C8 H8A 109.0 . . ?
C9 C8 H8B 109.0 . . ?
C7 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C8 C9 C10 110.36(15) . . ?
C8 C9 H9A 109.6 . . ?
C10 C9 H9A 109.6 . . ?
C8 C9 H9B 109.6 . . ?
C10 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
C11 C10 C9 109.92(15) . . ?
C11 C10 H10A 109.7 . . ?
C9 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
C9 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C10 C11 C12 110.94(15) . . ?
C10 C11 H11A 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 C7 112.51(13) . . ?
C11 C12 H12A 109.1 . . ?
C7 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C7 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C4 C13 C14 111.84(14) . . ?
C4 C13 C18 112.86(15) . . ?
C14 C13 C18 110.10(15) . . ?
C4 C13 H13 107.2 . . ?
C14 C13 H13 107.2 . . ?
C18 C13 H13 107.2 . . ?
C13 C14 C15 111.48(16) . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
C15 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 110.71(17) . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C15 111.35(16) . . ?
C17 C16 H16A 109.4 . . ?
C15 C16 H16A 109.4 . . ?
C17 C16 H16B 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C16 C17 C18 111.14(15) . . ?
C16 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
C16 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C13 C18 C17 111.52(15) . . ?
C13 C18 H18A 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C13 C18 H18B 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C6 C19 C20 110.87(13) . . ?
C6 C19 C24 110.04(13) . . ?
C20 C19 C24 109.44(13) . . ?
C6 C19 H19 108.8 . . ?
C20 C19 H19 108.8 . . ?
C24 C19 H19 108.8 . . ?
C21 C20 C19 112.38(14) . . ?
C21 C20 H20A 109.1 . . ?
C19 C20 H20A 109.1 . . ?
C21 C20 H20B 109.1 . . ?
C19 C20 H20B 109.1 . . ?
H20A C20 H20B 107.9 . . ?
C22 C21 C20 111.23(15) . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C23 C22 C21 110.73(14) . . ?
C23 C22 H22A 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C22 C23 C24 111.32(15) . . ?
C22 C23 H23A 109.4 . . ?
C24 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 C19 112.53(14) . . ?
C23 C24 H24A 109.1 . . ?
C19 C24 H24A 109.1 . . ?
C23 C24 H24B 109.1 . . ?
C19 C24 H24B 109.1 . . ?
H24A C24 H24B 107.8 . . ?
O2 C25 C30 120.25(13) . . ?
O2 C25 C26 120.00(13) . . ?
C30 C25 C26 119.75(14) . . ?
C27 C26 C25 118.79(14) . . ?
C27 C26 C31 117.48(14) . . ?
C25 C26 C31 123.53(14) . . ?
C28 C27 C26 122.91(14) . . ?
C28 C27 H27 118.5 . . ?
C26 C27 H27 118.5 . . ?
C29 C28 C27 116.98(14) . . ?
C29 C28 C37 121.31(14) . . ?
C27 C28 C37 121.58(14) . . ?
C28 C29 C30 123.18(15) . . ?
C28 C29 H29 118.4 . . ?
C30 C29 H29 118.4 . . ?
C29 C30 C25 118.38(14) . . ?
C29 C30 C43 117.07(14) . . ?
C25 C30 C43 124.51(14) . . ?
C26 C31 C36 112.17(14) . . ?
C26 C31 C32 108.58(14) . . ?
C36 C31 C32 110.60(15) . . ?
C26 C31 H31 108.5 . . ?
C36 C31 H31 108.5 . . ?
C32 C31 H31 108.5 . . ?
C33 C32 C31 112.59(17) . . ?
C33 C32 H32A 109.1 . . ?
C31 C32 H32A 109.1 . . ?
C33 C32 H32B 109.1 . . ?
C31 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C34 C33 C32 110.74(18) . . ?
C34 C33 H33A 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C33 C34 C35 110.27(17) . . ?
C33 C34 H34A 109.6 . . ?
C35 C34 H34A 109.6 . . ?
C33 C34 H34B 109.6 . . ?
C35 C34 H34B 109.6 . . ?
H34A C34 H34B 108.1 . . ?
C34 C35 C36 111.17(18) . . ?
C34 C35 H35A 109.4 . . ?
C36 C35 H35A 109.4 . . ?
C34 C35 H35B 109.4 . . ?
C36 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C31 C36 C35 111.84(16) . . ?
C31 C36 H36A 109.2 . . ?
C35 C36 H36A 109.2 . . ?
C31 C36 H36B 109.2 . . ?
C35 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
C28 C37 C38 111.32(14) . . ?
C28 C37 C42 113.67(15) . . ?
C38 C37 C42 109.57(14) . . ?
C28 C37 H37 107.3 . . ?
C38 C37 H37 107.3 . . ?
C42 C37 H37 107.3 . . ?
C37 C38 C39 112.02(15) . . ?
C37 C38 H38A 109.2 . . ?
C39 C38 H38A 109.2 . . ?
C37 C38 H38B 109.2 . . ?
C39 C38 H38B 109.2 . . ?
H38A C38 H38B 107.9 . . ?
C40 C39 C38 111.27(15) . . ?
C40 C39 H39A 109.4 . . ?
C38 C39 H39A 109.4 . . ?
C40 C39 H39B 109.4 . . ?
C38 C39 H39B 109.4 . . ?
H39A C39 H39B 108.0 . . ?
C41 C40 C39 111.30(15) . . ?
C41 C40 H40A 109.4 . . ?
C39 C40 H40A 109.4 . . ?
C41 C40 H40B 109.4 . . ?
C39 C40 H40B 109.4 . . ?
H40A C40 H40B 108.0 . . ?
C40 C41 C42 111.69(15) . . ?
C40 C41 H41A 109.3 . . ?
C42 C41 H41A 109.3 . . ?
C40 C41 H41B 109.3 . . ?
C42 C41 H41B 109.3 . . ?
H41A C41 H41B 107.9 . . ?
C41 C42 C37 110.89(15) . . ?
C41 C42 H42A 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 108.0 . . ?
C30 C43 C48 110.08(13) . . ?
C30 C43 C44 111.29(13) . . ?
C48 C43 C44 109.23(14) . . ?
C30 C43 H43 108.7 . . ?
C48 C43 H43 108.7 . . ?
C44 C43 H43 108.7 . . ?
C45 C44 C43 111.93(14) . . ?
C45 C44 H44A 109.2 . . ?
C43 C44 H44A 109.2 . . ?
C45 C44 H44B 109.2 . . ?
C43 C44 H44B 109.2 . . ?
H44A C44 H44B 107.9 . . ?
C46 C45 C44 111.41(15) . . ?
C46 C45 H45A 109.3 . . ?
C44 C45 H45A 109.3 . . ?
C46 C45 H45B 109.3 . . ?
C44 C45 H45B 109.3 . . ?
H45A C45 H45B 108.0 . . ?
C47 C46 C45 110.88(15) . . ?
C47 C46 H46A 109.5 . . ?
C45 C46 H46A 109.5 . . ?
C47 C46 H46B 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 108.1 . . ?
C46 C47 C48 111.48(16) . . ?
C46 C47 H47A 109.3 . . ?
C48 C47 H47A 109.3 . . ?
C46 C47 H47B 109.3 . . ?
C48 C47 H47B 109.3 . . ?
H47A C47 H47B 108.0 . . ?
C47 C48 C43 112.68(14) . . ?
C47 C48 H48A 109.1 . . ?
C43 C48 H48A 109.1 . . ?
C47 C48 H48B 109.1 . . ?
C43 C48 H48B 109.1 . . ?
H48A C48 H48B 107.8 . . ?
O3 C49 C54 118.68(14) . . ?
O3 C49 C50 119.12(13) . . ?
C54 C49 C50 122.19(14) . . ?
C51 C50 C49 117.12(15) . . ?
C51 C50 C55 119.29(15) . . ?
C49 C50 C55 123.57(13) . . ?
C52 C51 C50 123.03(16) . . ?
C52 C51 H51 118.5 . . ?
C50 C51 H51 118.5 . . ?
C51 C52 C53 118.16(15) . . ?
C51 C52 C61 117.77(17) . . ?
C53 C52 C61 124.05(17) . . ?
C52 C53 C54 122.06(16) . . ?
C52 C53 H53 119.0 . . ?
C54 C53 H53 119.0 . . ?
C49 C54 C53 117.39(15) . . ?
C49 C54 C67 122.34(14) . . ?
C53 C54 C67 120.24(15) . . ?
C50 C55 C56 113.18(14) . . ?
C50 C55 C60 110.77(13) . . ?
C56 C55 C60 109.95(14) . . ?
C50 C55 H55 107.6 . . ?
C56 C55 H55 107.6 . . ?
C60 C55 H55 107.6 . . ?
C55 C56 C57 111.71(15) . . ?
C55 C56 H56A 109.3 . . ?
C57 C56 H56A 109.3 . . ?
C55 C56 H56B 109.3 . . ?
C57 C56 H56B 109.3 . . ?
H56A C56 H56B 107.9 . . ?
C58 C57 C56 111.29(18) . . ?
C58 C57 H57A 109.4 . . ?
C56 C57 H57A 109.4 . . ?
C58 C57 H57B 109.4 . . ?
C56 C57 H57B 109.4 . . ?
H57A C57 H57B 108.0 . . ?
C59 C58 C57 110.20(15) . . ?
C59 C58 H58A 109.6 . . ?
C57 C58 H58A 109.6 . . ?
C59 C58 H58B 109.6 . . ?
C57 C58 H58B 109.6 . . ?
H58A C58 H58B 108.1 . . ?
C58 C59 C60 111.54(15) . . ?
C58 C59 H59A 109.3 . . ?
C60 C59 H59A 109.3 . . ?
C58 C59 H59B 109.3 . . ?
C60 C59 H59B 109.3 . . ?
H59A C59 H59B 108.0 . . ?
C59 C60 C55 112.95(14) . . ?
C59 C60 H60A 109.0 . . ?
C55 C60 H60A 109.0 . . ?
C59 C60 H60B 109.0 . . ?
C55 C60 H60B 109.0 . . ?
H60A C60 H60B 107.8 . . ?
C66 C61 C52 115.11(16) . . ?
C66 C61 C62 112.04(16) . . ?
C52 C61 C62 111.98(14) . . ?
C66 C61 H61 105.6 . . ?
C52 C61 H61 105.6 . . ?
C62 C61 H61 105.6 . . ?
C63 C62 C61 112.19(15) . . ?
C63 C62 H62A 109.2 . . ?
C61 C62 H62A 109.2 . . ?
C63 C62 H62B 109.2 . . ?
C61 C62 H62B 109.2 . . ?
H62A C62 H62B 107.9 . . ?
C64 C63 C62 114.16(17) . . ?
C64 C63 H63A 108.7 . . ?
C62 C63 H63A 108.7 . . ?
C64 C63 H63B 108.7 . . ?
C62 C63 H63B 108.7 . . ?
H63A C63 H63B 107.6 . . ?
C63 C64 C65 113.27(18) . . ?
C63 C64 H64A 108.9 . . ?
C65 C64 H64A 108.9 . . ?
C63 C64 H64B 108.9 . . ?
C65 C64 H64B 108.9 . . ?
H64A C64 H64B 107.7 . . ?
C64 C65 C66 111.40(17) . . ?
C64 C65 H65A 109.3 . . ?
C66 C65 H65A 109.3 . . ?
C64 C65 H65B 109.3 . . ?
C66 C65 H65B 109.3 . . ?
H65A C65 H65B 108.0 . . ?
C61 C66 C65 112.55(18) . . ?
C61 C66 H66A 109.1 . . ?
C65 C66 H66A 109.1 . . ?
C61 C66 H66B 109.1 . . ?
C65 C66 H66B 109.1 . . ?
H66A C66 H66B 107.8 . . ?
C54 C67 C72 112.16(13) . . ?
C54 C67 C68 112.97(14) . . ?
C72 C67 C68 109.35(14) . . ?
C54 C67 H67 107.4 . . ?
C72 C67 H67 107.4 . . ?
C68 C67 H67 107.4 . . ?
C69 C68 C67 110.66(16) . . ?
C69 C68 H68A 109.5 . . ?
C67 C68 H68A 109.5 . . ?
C69 C68 H68B 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 108.1 . . ?
C68 C69 C70 112.02(17) . . ?
C68 C69 H69A 109.2 . . ?
C70 C69 H69A 109.2 . . ?
C68 C69 H69B 109.2 . . ?
C70 C69 H69B 109.2 . . ?
H69A C69 H69B 107.9 . . ?
C71 C70 C69 111.43(16) . . ?
C71 C70 H70A 109.3 . . ?
C69 C70 H70A 109.3 . . ?
C71 C70 H70B 109.3 . . ?
C69 C70 H70B 109.3 . . ?
H70A C70 H70B 108.0 . . ?
C70 C71 C72 111.59(16) . . ?
C70 C71 H71A 109.3 . . ?
C72 C71 H71A 109.3 . . ?
C70 C71 H71B 109.3 . . ?
C72 C71 H71B 109.3 . . ?
H71A C71 H71B 108.0 . . ?
C71 C72 C67 111.45(14) . . ?
C71 C72 H72A 109.3 . . ?
C67 C72 H72A 109.3 . . ?
C71 C72 H72B 109.3 . . ?
C67 C72 H72B 109.3 . . ?
H72A C72 H72B 108.0 . . ?
C78 C73 C74 122.33(13) . . ?
C78 C73 O4 118.61(13) . . ?
C74 C73 O4 119.05(13) . . ?
C75 C74 C73 117.01(14) . . ?
C75 C74 C79 119.09(13) . . ?
C73 C74 C79 123.89(13) . . ?
C76 C75 C74 123.04(14) . . ?
C76 C75 H75 118.5 . . ?
C74 C75 H75 118.5 . . ?
C77 C76 C75 117.73(14) . . ?
C77 C76 C85 123.34(14) . . ?
C75 C76 C85 118.93(14) . . ?
C76 C77 C78 122.36(14) . . ?
C76 C77 H77 118.8 . . ?
C78 C77 H77 118.8 . . ?
C73 C78 C77 117.48(14) . . ?
C73 C78 C91 122.62(13) . . ?
C77 C78 C91 119.83(13) . . ?
C74 C79 C84 110.51(12) . . ?
C74 C79 C80 112.72(13) . . ?
C84 C79 C80 110.20(14) . . ?
C74 C79 H79 107.7 . . ?
C84 C79 H79 107.7 . . ?
C80 C79 H79 107.7 . . ?
C81 C80 C79 112.08(15) . . ?
C81 C80 H80A 109.2 . . ?
C79 C80 H80A 109.2 . . ?
C81 C80 H80B 109.2 . . ?
C79 C80 H80B 109.2 . . ?
H80A C80 H80B 107.9 . . ?
C82 C81 C80 111.52(15) . . ?
C82 C81 H81A 109.3 . . ?
C80 C81 H81A 109.3 . . ?
C82 C81 H81B 109.3 . . ?
C80 C81 H81B 109.3 . . ?
H81A C81 H81B 108.0 . . ?
C83 C82 C81 110.23(15) . . ?
C83 C82 H82A 109.6 . . ?
C81 C82 H82A 109.6 . . ?
C83 C82 H82B 109.6 . . ?
C81 C82 H82B 109.6 . . ?
H82A C82 H82B 108.1 . . ?
C82 C83 C84 111.14(15) . . ?
C82 C83 H83A 109.4 . . ?
C84 C83 H83A 109.4 . . ?
C82 C83 H83B 109.4 . . ?
C84 C83 H83B 109.4 . . ?
H83A C83 H83B 108.0 . . ?
C83 C84 C79 112.84(14) . . ?
C83 C84 H84A 109.0 . . ?
C79 C84 H84A 109.0 . . ?
C83 C84 H84B 109.0 . . ?
C79 C84 H84B 109.0 . . ?
H84A C84 H84B 107.8 . . ?
C76 C85 C90 114.19(13) . . ?
C76 C85 C86 111.63(12) . . ?
C90 C85 C86 109.38(13) . . ?
C76 C85 H85 107.1 . . ?
C90 C85 H85 107.1 . . ?
C86 C85 H85 107.1 . . ?
C87 C86 C85 111.62(13) . . ?
C87 C86 H86A 109.3 . . ?
C85 C86 H86A 109.3 . . ?
C87 C86 H86B 109.3 . . ?
C85 C86 H86B 109.3 . . ?
H86A C86 H86B 108.0 . . ?
C88 C87 C86 111.31(14) . . ?
C88 C87 H87A 109.4 . . ?
C86 C87 H87A 109.4 . . ?
C88 C87 H87B 109.4 . . ?
C86 C87 H87B 109.4 . . ?
H87A C87 H87B 108.0 . . ?
C89 C88 C87 111.76(14) . . ?
C89 C88 H88A 109.3 . . ?
C87 C88 H88A 109.3 . . ?
C89 C88 H88B 109.3 . . ?
C87 C88 H88B 109.3 . . ?
H88A C88 H88B 107.9 . . ?
C88 C89 C90 111.38(14) . . ?
C88 C89 H89A 109.4 . . ?
C90 C89 H89A 109.4 . . ?
C88 C89 H89B 109.4 . . ?
C90 C89 H89B 109.4 . . ?
H89A C89 H89B 108.0 . . ?
C85 C90 C89 111.00(14) . . ?
C85 C90 H90A 109.4 . . ?
C89 C90 H90A 109.4 . . ?
C85 C90 H90B 109.4 . . ?
C89 C90 H90B 109.4 . . ?
H90A C90 H90B 108.0 . . ?
C78 C91 C92 112.99(13) . . ?
C78 C91 C96 111.34(13) . . ?
C92 C91 C96 109.30(13) . . ?
C78 C91 H91 107.7 . . ?
C92 C91 H91 107.7 . . ?
C96 C91 H91 107.7 . . ?
C93 C92 C91 111.05(14) . . ?
C93 C92 H92A 109.4 . . ?
C91 C92 H92A 109.4 . . ?
C93 C92 H92B 109.4 . . ?
C91 C92 H92B 109.4 . . ?
H92A C92 H92B 108.0 . . ?
C94 C93 C92 111.73(15) . . ?
C94 C93 H93A 109.3 . . ?
C92 C93 H93A 109.3 . . ?
C94 C93 H93B 109.3 . . ?
C92 C93 H93B 109.3 . . ?
H93A C93 H93B 107.9 . . ?
C95 C94 C93 111.36(15) . . ?
C95 C94 H94A 109.4 . . ?
C93 C94 H94A 109.4 . . ?
C95 C94 H94B 109.4 . . ?
C93 C94 H94B 109.4 . . ?
H94A C94 H94B 108.0 . . ?
C94 C95 C96 111.83(15) . . ?
C94 C95 H95A 109.2 . . ?
C96 C95 H95A 109.2 . . ?
C94 C95 H95B 109.2 . . ?
C96 C95 H95B 109.2 . . ?
H95A C95 H95B 107.9 . . ?
C95 C96 C91 111.08(13) . . ?
C95 C96 H96A 109.4 . . ?
C91 C96 H96A 109.4 . . ?
C95 C96 H96B 109.4 . . ?
C91 C96 H96B 109.4 . . ?
H96A C96 H96B 108.0 . . ?
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 1.8300(10) . ?
Ge1 O3 2.0056(10) . ?
Ge1 O4 2.0070(10) . ?
Ge2 O2 1.8324(10) . ?
Ge2 O4 2.0042(10) . ?
Ge2 O3 2.0087(10) . ?
O1 C1 1.3981(18) . ?
O2 C25 1.3965(17) . ?
O3 C49 1.3986(17) . ?
O4 C73 1.4015(16) . ?
C1 C6 1.408(2) . ?
C1 C2 1.412(2) . ?
C2 C3 1.391(2) . ?
C2 C7 1.516(2) . ?
C3 C4 1.391(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(2) . ?
C4 C13 1.513(2) . ?
C5 C6 1.396(2) . ?
C5 H5 0.9500 . ?
C6 C19 1.518(2) . ?
C7 C8 1.532(2) . ?
C7 C12 1.538(2) . ?
C7 H7 1.0000 . ?
C8 C9 1.522(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.523(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.522(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.530(2) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.528(3) . ?
C13 C18 1.529(2) . ?
C13 H13 1.0000 . ?
C14 C15 1.530(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.523(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.514(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.532(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.536(2) . ?
C19 C24 1.537(2) . ?
C19 H19 1.0000 . ?
C20 C21 1.523(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.521(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.519(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.526(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C30 1.408(2) . ?
C25 C26 1.411(2) . ?
C26 C27 1.391(2) . ?
C26 C31 1.514(2) . ?
C27 C28 1.389(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(2) . ?
C28 C37 1.515(2) . ?
C29 C30 1.399(2) . ?
C29 H29 0.9500 . ?
C30 C43 1.518(2) . ?
C31 C36 1.533(2) . ?
C31 C32 1.538(2) . ?
C31 H31 1.0000 . ?
C32 C33 1.522(2) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.498(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.527(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.542(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.528(2) . ?
C37 C42 1.534(2) . ?
C37 H37 1.0000 . ?
C38 C39 1.529(2) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.517(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.516(3) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.530(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C48 1.535(2) . ?
C43 C44 1.537(2) . ?
C43 H43 1.0000 . ?
C44 C45 1.531(2) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.513(3) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.513(3) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.526(2) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C54 1.400(2) . ?
C49 C50 1.407(2) . ?
C50 C51 1.392(2) . ?
C50 C55 1.520(2) . ?
C51 C52 1.379(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.393(3) . ?
C52 C61 1.527(2) . ?
C53 C54 1.402(2) . ?
C53 H53 0.9500 . ?
C54 C67 1.511(2) . ?
C55 C56 1.533(2) . ?
C55 C60 1.536(2) . ?
C55 H55 1.0000 . ?
C56 C57 1.535(3) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.525(3) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.516(3) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.517(2) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C66 1.478(3) . ?
C61 C62 1.528(2) . ?
C61 H61 1.0000 . ?
C62 C63 1.520(2) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.469(3) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.527(3) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.532(2) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C72 1.533(2) . ?
C67 C68 1.539(2) . ?
C67 H67 1.0000 . ?
C68 C69 1.515(3) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C70 1.522(3) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.522(3) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.527(2) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C78 1.401(2) . ?
C73 C74 1.401(2) . ?
C74 C75 1.397(2) . ?
C74 C79 1.521(2) . ?
C75 C76 1.389(2) . ?
C75 H75 0.9500 . ?
C76 C77 1.388(2) . ?
C76 C85 1.521(2) . ?
C77 C78 1.402(2) . ?
C77 H77 0.9500 . ?
C78 C91 1.518(2) . ?
C79 C84 1.533(2) . ?
C79 C80 1.534(2) . ?
C79 H79 1.0000 . ?
C80 C81 1.524(2) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.523(3) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.518(3) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.525(2) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C90 1.522(2) . ?
C85 C86 1.536(2) . ?
C85 H85 1.0000 . ?
C86 C87 1.529(2) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C88 1.522(2) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 C89 1.518(2) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C90 1.530(2) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C92 1.533(2) . ?
C91 C96 1.537(2) . ?
C91 H91 1.0000 . ?
C92 C93 1.527(2) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.523(3) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.515(3) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.527(2) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
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
O3 Ge1 O1 C1 -145.07(10) . . . . ?
O4 Ge1 O1 C1 142.74(10) . . . . ?
O4 Ge2 O2 C25 145.25(10) . . . . ?
O3 Ge2 O2 C25 -142.55(10) . . . . ?
Ge1 O1 C1 C6 89.70(15) . . . . ?
Ge1 O1 C1 C2 -90.98(14) . . . . ?
O1 C1 C2 C3 -179.67(14) . . . . ?
C6 C1 C2 C3 -0.3(2) . . . . ?
O1 C1 C2 C7 5.9(2) . . . . ?
C6 C1 C2 C7 -174.74(14) . . . . ?
C1 C2 C3 C4 -0.1(2) . . . . ?
C7 C2 C3 C4 174.59(15) . . . . ?
C2 C3 C4 C5 0.7(3) . . . . ?
C2 C3 C4 C13 -177.24(16) . . . . ?
C3 C4 C5 C6 -0.8(3) . . . . ?
C13 C4 C5 C6 177.13(16) . . . . ?
C4 C5 C6 C1 0.4(2) . . . . ?
C4 C5 C6 C19 -178.61(15) . . . . ?
O1 C1 C6 C5 179.55(14) . . . . ?
C2 C1 C6 C5 0.2(2) . . . . ?
O1 C1 C6 C19 -1.5(2) . . . . ?
C2 C1 C6 C19 179.14(14) . . . . ?
C3 C2 C7 C8 -68.07(18) . . . . ?
C1 C2 C7 C8 106.39(17) . . . . ?
C3 C2 C7 C12 54.5(2) . . . . ?
C1 C2 C7 C12 -131.03(16) . . . . ?
C2 C7 C8 C9 175.47(14) . . . . ?
C12 C7 C8 C9 51.74(18) . . . . ?
C7 C8 C9 C10 -56.3(2) . . . . ?
C8 C9 C10 C11 58.8(2) . . . . ?
C9 C10 C11 C12 -58.63(19) . . . . ?
C10 C11 C12 C7 55.28(19) . . . . ?
C2 C7 C12 C11 -172.30(14) . . . . ?
C8 C7 C12 C11 -50.90(19) . . . . ?
C5 C4 C13 C14 -115.29(18) . . . . ?
C3 C4 C13 C14 62.5(2) . . . . ?
C5 C4 C13 C18 119.91(18) . . . . ?
C3 C4 C13 C18 -62.3(2) . . . . ?
C4 C13 C14 C15 177.61(15) . . . . ?
C18 C13 C14 C15 -56.1(2) . . . . ?
C13 C14 C15 C16 56.5(2) . . . . ?
C14 C15 C16 C17 -56.0(2) . . . . ?
C15 C16 C17 C18 55.7(2) . . . . ?
C4 C13 C18 C17 -178.77(15) . . . . ?
C14 C13 C18 C17 55.5(2) . . . . ?
C16 C17 C18 C13 -55.7(2) . . . . ?
C5 C6 C19 C20 -60.82(19) . . . . ?
C1 C6 C19 C20 120.26(16) . . . . ?
C5 C6 C19 C24 60.39(18) . . . . ?
C1 C6 C19 C24 -118.53(17) . . . . ?
C6 C19 C20 C21 175.68(13) . . . . ?
C24 C19 C20 C21 54.12(18) . . . . ?
C19 C20 C21 C22 -56.34(19) . . . . ?
C20 C21 C22 C23 56.2(2) . . . . ?
C21 C22 C23 C24 -55.8(2) . . . . ?
C22 C23 C24 C19 55.54(19) . . . . ?
C6 C19 C24 C23 -175.77(14) . . . . ?
C20 C19 C24 C23 -53.71(18) . . . . ?
Ge2 O2 C25 C30 -89.89(15) . . . . ?
Ge2 O2 C25 C26 90.95(15) . . . . ?
O2 C25 C26 C27 179.63(14) . . . . ?
C30 C25 C26 C27 0.5(2) . . . . ?
O2 C25 C26 C31 -5.7(2) . . . . ?
C30 C25 C26 C31 175.11(15) . . . . ?
C25 C26 C27 C28 0.4(3) . . . . ?
C31 C26 C27 C28 -174.52(16) . . . . ?
C26 C27 C28 C29 -0.8(3) . . . . ?
C26 C27 C28 C37 175.16(16) . . . . ?
C27 C28 C29 C30 0.3(3) . . . . ?
C37 C28 C29 C30 -175.70(16) . . . . ?
C28 C29 C30 C25 0.6(3) . . . . ?
C28 C29 C30 C43 178.60(15) . . . . ?
O2 C25 C30 C29 179.89(14) . . . . ?
C26 C25 C30 C29 -0.9(2) . . . . ?
O2 C25 C30 C43 2.0(2) . . . . ?
C26 C25 C30 C43 -178.81(15) . . . . ?
C27 C26 C31 C36 -57.0(2) . . . . ?
C25 C26 C31 C36 128.31(17) . . . . ?
C27 C26 C31 C32 65.55(19) . . . . ?
C25 C26 C31 C32 -109.16(18) . . . . ?
C26 C31 C32 C33 -176.15(15) . . . . ?
C36 C31 C32 C33 -52.7(2) . . . . ?
C31 C32 C33 C34 57.0(2) . . . . ?
C32 C33 C34 C35 -58.8(2) . . . . ?
C33 C34 C35 C36 58.0(2) . . . . ?
C26 C31 C36 C35 172.60(16) . . . . ?
C32 C31 C36 C35 51.2(2) . . . . ?
C34 C35 C36 C31 -54.6(2) . . . . ?
C29 C28 C37 C38 113.83(18) . . . . ?
C27 C28 C37 C38 -62.0(2) . . . . ?
C29 C28 C37 C42 -121.85(18) . . . . ?
C27 C28 C37 C42 62.3(2) . . . . ?
C28 C37 C38 C39 -177.18(14) . . . . ?
C42 C37 C38 C39 56.22(19) . . . . ?
C37 C38 C39 C40 -55.6(2) . . . . ?
C38 C39 C40 C41 54.2(2) . . . . ?
C39 C40 C41 C42 -55.2(2) . . . . ?
C40 C41 C42 C37 56.6(2) . . . . ?
C28 C37 C42 C41 178.43(14) . . . . ?
C38 C37 C42 C41 -56.32(19) . . . . ?
C29 C30 C43 C48 -60.19(19) . . . . ?
C25 C30 C43 C48 117.70(17) . . . . ?
C29 C30 C43 C44 61.06(19) . . . . ?
C25 C30 C43 C44 -121.05(17) . . . . ?
C30 C43 C44 C45 -176.04(14) . . . . ?
C48 C43 C44 C45 -54.30(18) . . . . ?
C43 C44 C45 C46 56.5(2) . . . . ?
C44 C45 C46 C47 -56.2(2) . . . . ?
C45 C46 C47 C48 55.4(2) . . . . ?
C46 C47 C48 C43 -55.4(2) . . . . ?
C30 C43 C48 C47 176.45(14) . . . . ?
C44 C43 C48 C47 53.98(19) . . . . ?
Ge1 O3 C49 C54 67.12(16) . . . . ?
Ge2 O3 C49 C54 -111.80(14) . . . . ?
Ge1 O3 C49 C50 -112.35(13) . . . . ?
Ge2 O3 C49 C50 68.73(16) . . . . ?
O3 C49 C50 C51 177.44(13) . . . . ?
C54 C49 C50 C51 -2.0(2) . . . . ?
O3 C49 C50 C55 -4.2(2) . . . . ?
C54 C49 C50 C55 176.39(14) . . . . ?
C49 C50 C51 C52 0.4(2) . . . . ?
C55 C50 C51 C52 -178.03(15) . . . . ?
C50 C51 C52 C53 1.4(3) . . . . ?
C50 C51 C52 C61 -176.86(16) . . . . ?
C51 C52 C53 C54 -1.9(3) . . . . ?
C61 C52 C53 C54 176.32(16) . . . . ?
O3 C49 C54 C53 -177.85(13) . . . . ?
C50 C49 C54 C53 1.6(2) . . . . ?
O3 C49 C54 C67 0.2(2) . . . . ?
C50 C49 C54 C67 179.62(14) . . . . ?
C52 C53 C54 C49 0.4(2) . . . . ?
C52 C53 C54 C67 -177.67(15) . . . . ?
C51 C50 C55 C56 -64.2(2) . . . . ?
C49 C50 C55 C56 117.45(17) . . . . ?
C51 C50 C55 C60 59.83(19) . . . . ?
C49 C50 C55 C60 -118.53(16) . . . . ?
C50 C55 C56 C57 177.83(16) . . . . ?
C60 C55 C56 C57 53.4(2) . . . . ?
C55 C56 C57 C58 -56.5(2) . . . . ?
C56 C57 C58 C59 57.0(2) . . . . ?
C57 C58 C59 C60 -56.2(2) . . . . ?
C58 C59 C60 C55 55.4(2) . . . . ?
C50 C55 C60 C59 -179.02(14) . . . . ?
C56 C55 C60 C59 -53.2(2) . . . . ?
C51 C52 C61 C66 156.77(19) . . . . ?
C53 C52 C61 C66 -21.4(3) . . . . ?
C51 C52 C61 C62 -73.7(2) . . . . ?
C53 C52 C61 C62 108.1(2) . . . . ?
C66 C61 C62 C63 -51.4(3) . . . . ?
C52 C61 C62 C63 177.53(18) . . . . ?
C61 C62 C63 C64 49.4(3) . . . . ?
C62 C63 C64 C65 -49.4(3) . . . . ?
C63 C64 C65 C66 50.4(3) . . . . ?
C52 C61 C66 C65 -176.49(18) . . . . ?
C62 C61 C66 C65 54.0(3) . . . . ?
C64 C65 C66 C61 -53.2(3) . . . . ?
C49 C54 C67 C72 -110.06(17) . . . . ?
C53 C54 C67 C72 67.91(19) . . . . ?
C49 C54 C67 C68 125.80(16) . . . . ?
C53 C54 C67 C68 -56.2(2) . . . . ?
C54 C67 C68 C69 -176.60(14) . . . . ?
C72 C67 C68 C69 57.73(19) . . . . ?
C67 C68 C69 C70 -56.9(2) . . . . ?
C68 C69 C70 C71 54.3(2) . . . . ?
C69 C70 C71 C72 -53.1(2) . . . . ?
C70 C71 C72 C67 55.4(2) . . . . ?
C54 C67 C72 C71 176.64(14) . . . . ?
C68 C67 C72 C71 -57.22(19) . . . . ?
Ge2 O4 C73 C78 -68.21(16) . . . . ?
Ge1 O4 C73 C78 110.75(13) . . . . ?
Ge2 O4 C73 C74 110.97(13) . . . . ?
Ge1 O4 C73 C74 -70.07(16) . . . . ?
C78 C73 C74 C75 2.1(2) . . . . ?
O4 C73 C74 C75 -177.06(13) . . . . ?
C78 C73 C74 C79 -176.90(14) . . . . ?
O4 C73 C74 C79 4.0(2) . . . . ?
C73 C74 C75 C76 -0.3(2) . . . . ?
C79 C74 C75 C76 178.71(14) . . . . ?
C74 C75 C76 C77 -1.6(2) . . . . ?
C74 C75 C76 C85 177.88(14) . . . . ?
C75 C76 C77 C78 2.0(2) . . . . ?
C85 C76 C77 C78 -177.52(14) . . . . ?
C74 C73 C78 C77 -1.8(2) . . . . ?
O4 C73 C78 C77 177.38(13) . . . . ?
C74 C73 C78 C91 -178.81(14) . . . . ?
O4 C73 C78 C91 0.3(2) . . . . ?
C76 C77 C78 C73 -0.3(2) . . . . ?
C76 C77 C78 C91 176.79(14) . . . . ?
C75 C74 C79 C84 -60.87(18) . . . . ?
C73 C74 C79 C84 118.10(16) . . . . ?
C75 C74 C79 C80 62.94(19) . . . . ?
C73 C74 C79 C80 -118.09(16) . . . . ?
C74 C79 C80 C81 -176.69(14) . . . . ?
C84 C79 C80 C81 -52.71(19) . . . . ?
C79 C80 C81 C82 56.0(2) . . . . ?
C80 C81 C82 C83 -57.2(2) . . . . ?
C81 C82 C83 C84 56.5(2) . . . . ?
C82 C83 C84 C79 -55.4(2) . . . . ?
C74 C79 C84 C83 177.95(14) . . . . ?
C80 C79 C84 C83 52.71(19) . . . . ?
C77 C76 C85 C90 17.2(2) . . . . ?
C75 C76 C85 C90 -162.32(14) . . . . ?
C77 C76 C85 C86 -107.55(17) . . . . ?
C75 C76 C85 C86 72.96(18) . . . . ?
C76 C85 C86 C87 -175.52(14) . . . . ?
C90 C85 C86 C87 57.12(19) . . . . ?
C85 C86 C87 C88 -55.1(2) . . . . ?
C86 C87 C88 C89 53.3(2) . . . . ?
C87 C88 C89 C90 -54.4(2) . . . . ?
C76 C85 C90 C89 176.30(14) . . . . ?
C86 C85 C90 C89 -57.80(19) . . . . ?
C88 C89 C90 C85 57.1(2) . . . . ?
C73 C78 C91 C92 -130.86(15) . . . . ?
C77 C78 C91 C92 52.18(19) . . . . ?
C73 C78 C91 C96 105.69(16) . . . . ?
C77 C78 C91 C96 -71.27(18) . . . . ?
C78 C91 C92 C93 178.13(14) . . . . ?
C96 C91 C92 C93 -57.31(18) . . . . ?
C91 C92 C93 C94 56.2(2) . . . . ?
C92 C93 C94 C95 -54.0(2) . . . . ?
C93 C94 C95 C96 54.0(2) . . . . ?
C94 C95 C96 C91 -56.28(19) . . . . ?
C78 C91 C96 C95 -177.19(13) . . . . ?
C92 C91 C96 C95 57.28(17) . . . . ?
