#------------------------------------------------------------------------------
#$Date: 2021-09-06 14:26:39 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268803 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/79/7707965.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_7707965
loop_
_publ_author_name
'Püschmann, Sabrina D'
'Frühwirt, Philipp'
'Müller, Stefanie M'
'Wagner, Stefan H.'
'Torvisco, Ana'
'Fischer, Roland C.'
'Kelterer, Anne-Marie'
'Griesser, Thomas'
'Gescheidt, Georg'
'Haas, Michael'
_publ_section_title
;
 Synthesis and characterization of diacylgermanes: persistent derivatives
 with superior photoreactivity.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11965
_journal_page_last               11974
_journal_paper_doi               10.1039/d1dt02091a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C36 H32 Ge O2 S2'
_chemical_formula_sum            'C36 H32 Ge O2 S2'
_chemical_formula_weight         633.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-20 deposited with the CCDC.	2021-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.948(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9006(5)
_cell_length_b                   28.6448(12)
_cell_length_c                   11.1809(5)
_cell_measurement_reflns_used    9278
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.79
_cell_measurement_theta_min      2.20
_cell_volume                     3055.0(2)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 924)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_unetI/netI     0.0516
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            333171
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.274
_diffrn_reflns_theta_min         2.082
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    1.171
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.5722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.063
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.419(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         23420
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0468
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0202P)²+1.2647P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0783
_reflns_Friedel_coverage         0.964
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                20378
_reflns_number_total             23420
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02091a3.cif
_cod_data_source_block           AT1097_a
_cod_depositor_comments
'Adding full bibliography for 7707961--7707965.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7707965
_publcif_datablock.id            {8ffd63c1-db81-4885-8bda-8ddb17a67871}
_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   0.658
_shelx_estimated_absorpt_t_max   0.902
_publcif_funding_html
;
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.88984(3) 0.64886(2) 0.51709(3) 0.01598(5) Uani 1 1 d . . . . .
Ge2 Ge 0.86475(3) 0.37403(2) -0.01728(3) 0.01556(5) Uani 1 1 d . . . . .
S1 S 1.35095(7) 0.66790(2) 0.86975(7) 0.01944(12) Uani 1 1 d . . . . .
S2 S 0.72062(7) 0.50209(2) 0.55217(7) 0.01998(13) Uani 1 1 d . . . . .
S3 S 1.03437(7) 0.51910(2) -0.06588(8) 0.02181(13) Uani 1 1 d . . . . .
S4 S 0.41025(8) 0.34601(3) -0.37165(7) 0.02320(14) Uani 1 1 d . . . . .
O1 O 1.0622(2) 0.70294(8) 0.7519(2) 0.0276(5) Uani 1 1 d . . . . .
O2 O 0.9681(2) 0.55507(8) 0.6020(3) 0.0290(5) Uani 1 1 d . . . . .
O3 O 0.7872(2) 0.46465(8) -0.1243(3) 0.0299(5) Uani 1 1 d . . . . .
O4 O 0.7093(2) 0.31740(8) -0.2528(2) 0.0273(4) Uani 1 1 d . . . . .
C1 C 1.0677(3) 0.66998(9) 0.6850(3) 0.0180(5) Uani 1 1 d . . . . .
C2 C 0.8649(3) 0.57985(10) 0.5428(3) 0.0198(5) Uani 1 1 d . . . . .
C3 C 0.7319(3) 0.67971(9) 0.5213(3) 0.0171(5) Uani 1 1 d . . . . .
C4 C 0.9347(3) 0.66235(9) 0.3701(3) 0.0180(5) Uani 1 1 d . . . . .
C5 C 1.2020(3) 0.64729(10) 0.7242(3) 0.0182(4) Uani 1 1 d . . . . .
C6 C 1.2313(3) 0.61069(10) 0.6639(3) 0.0182(5) Uani 1 1 d . . . . .
H6 H 1.162973 0.595723 0.583181 0.022 Uiso 1 1 calc R U . . .
C7 C 1.3755(3) 0.59726(9) 0.7350(3) 0.0173(5) Uani 1 1 d . . . . .
C8 C 1.4412(3) 0.56033(10) 0.7060(3) 0.0220(5) Uani 1 1 d . . . . .
H8 H 1.389176 0.540951 0.628699 0.026 Uiso 1 1 calc R U . . .
C9 C 1.5815(3) 0.55240(11) 0.7906(3) 0.0257(6) Uani 1 1 d . . . . .
H9 H 1.626628 0.527287 0.771945 0.031 Uiso 1 1 calc R U . . .
C10 C 1.6588(3) 0.58115(12) 0.9046(3) 0.0265(6) Uani 1 1 d . . . . .
H10 H 1.755867 0.575165 0.961643 0.032 Uiso 1 1 calc R U . . .
C11 C 1.5975(3) 0.61772(11) 0.9355(3) 0.0226(5) Uani 1 1 d . . . . .
H11 H 1.650782 0.636974 1.012758 0.027 Uiso 1 1 calc R U . . .
C12 C 1.4545(3) 0.62581(9) 0.8500(3) 0.0178(5) Uani 1 1 d . . . . .
C13 C 0.7252(3) 0.55959(9) 0.4993(3) 0.0190(5) Uani 1 1 d . . . . .
C14 C 0.5941(3) 0.57854(10) 0.4273(3) 0.0194(5) Uani 1 1 d . . . . .
H14 H 0.577182 0.609298 0.391019 0.023 Uiso 1 1 calc R U . . .
C15 C 0.4852(3) 0.54731(10) 0.4123(3) 0.0195(5) Uani 1 1 d . . . . .
C16 C 0.3404(3) 0.55513(11) 0.3456(3) 0.0236(6) Uani 1 1 d . . . . .
H16 H 0.302538 0.584004 0.301197 0.028 Uiso 1 1 calc R U . . .
C17 C 0.2535(3) 0.51996(12) 0.3457(3) 0.0268(6) Uani 1 1 d . . . . .
H17 H 0.154988 0.524744 0.300272 0.032 Uiso 1 1 calc R U . . .
C18 C 0.3083(3) 0.47752(11) 0.4116(3) 0.0272(6) Uani 1 1 d . . . . .
H18 H 0.246308 0.454052 0.410753 0.033 Uiso 1 1 calc R U . . .
C19 C 0.4506(3) 0.46898(10) 0.4779(3) 0.0237(6) Uani 1 1 d . . . . .
H19 H 0.487395 0.440140 0.523134 0.028 Uiso 1 1 calc R U . . .
C20 C 0.5391(3) 0.50404(10) 0.4766(3) 0.0201(5) Uani 1 1 d . . . . .
C21 C 0.6246(3) 0.70363(9) 0.4099(3) 0.0197(5) Uani 1 1 d . . . . .
C22 C 0.5076(3) 0.71921(10) 0.4180(3) 0.0227(5) Uani 1 1 d . . . . .
H22 H 0.437182 0.736364 0.343833 0.027 Uiso 1 1 calc R U . . .
C23 C 0.4914(3) 0.71029(10) 0.5317(3) 0.0237(5) Uani 1 1 d . . . . .
C24 C 0.5964(3) 0.68602(10) 0.6395(3) 0.0225(5) Uani 1 1 d . . . . .
H24 H 0.586097 0.679478 0.717486 0.027 Uiso 1 1 calc R U . . .
C25 C 0.7170(3) 0.67083(10) 0.6377(3) 0.0202(5) Uani 1 1 d . . . . .
C26 C 0.6267(3) 0.71246(12) 0.2781(3) 0.0287(6) Uani 1 1 d . . . . .
H26A H 0.651461 0.683572 0.247849 0.043 Uiso 1 1 calc R U . . .
H26B H 0.696216 0.736618 0.292628 0.043 Uiso 1 1 calc R U . . .
H26C H 0.533821 0.722924 0.208151 0.043 Uiso 1 1 calc R U . . .
C27 C 0.3619(3) 0.72540(14) 0.5368(4) 0.0368(8) Uani 1 1 d . . . . .
H27A H 0.320786 0.752606 0.477417 0.055 Uiso 1 1 calc R U . . .
H27B H 0.386738 0.733658 0.630867 0.055 Uiso 1 1 calc R U . . .
H27C H 0.293756 0.699801 0.505319 0.055 Uiso 1 1 calc R U . . .
C28 C 0.8217(3) 0.64365(14) 0.7605(3) 0.0318(7) Uani 1 1 d . . . . .
H28A H 0.812935 0.610317 0.738179 0.048 Uiso 1 1 calc R U . . .
H28B H 0.803327 0.648786 0.837115 0.048 Uiso 1 1 calc R U . . .
H28C H 0.916732 0.654207 0.786066 0.048 Uiso 1 1 calc R U . . .
C29 C 0.9802(3) 0.70807(10) 0.3641(3) 0.0218(5) Uani 1 1 d . . . . .
C30 C 1.0280(3) 0.71802(11) 0.2720(3) 0.0258(6) Uani 1 1 d . . . . .
H30 H 1.056016 0.749010 0.266734 0.031 Uiso 1 1 calc R U . . .
C31 C 1.0359(3) 0.68400(11) 0.1874(3) 0.0258(6) Uani 1 1 d . . . . .
C32 C 0.9894(3) 0.63949(11) 0.1928(3) 0.0254(6) Uani 1 1 d . . . . .
H32 H 0.992435 0.616094 0.134023 0.030 Uiso 1 1 calc R U . . .
C33 C 0.9381(3) 0.62787(10) 0.2819(3) 0.0204(5) Uani 1 1 d . . . . .
C34 C 0.9822(4) 0.74726(10) 0.4552(4) 0.0287(6) Uani 1 1 d . . . . .
H34A H 0.956551 0.776586 0.403562 0.043 Uiso 1 1 calc R U . . .
H34B H 1.076390 0.750094 0.533783 0.043 Uiso 1 1 calc R U . . .
H34C H 0.914802 0.740562 0.487301 0.043 Uiso 1 1 calc R U . . .
C35 C 1.0938(4) 0.69629(15) 0.0929(4) 0.0411(9) Uani 1 1 d . . . . .
H35A H 1.121343 0.667658 0.064000 0.062 Uiso 1 1 calc R U . . .
H35B H 1.175826 0.716574 0.140904 0.062 Uiso 1 1 calc R U . . .
H35C H 1.021825 0.712599 0.012362 0.062 Uiso 1 1 calc R U . . .
C36 C 0.8903(3) 0.57836(11) 0.2798(3) 0.0272(6) Uani 1 1 d . . . . .
H36A H 0.799791 0.578547 0.278562 0.041 Uiso 1 1 calc R U . . .
H36B H 0.959684 0.561876 0.361441 0.041 Uiso 1 1 calc R U . . .
H36C H 0.880253 0.562454 0.197894 0.041 Uiso 1 1 calc R U . . .
C37 C 0.6960(3) 0.35030(9) -0.1904(3) 0.0197(5) Uani 1 1 d . . . . .
C38 C 0.5576(3) 0.37106(10) -0.2334(3) 0.0188(5) Uani 1 1 d . . . . .
C39 C 0.5249(3) 0.40879(10) -0.1809(3) 0.0192(5) Uani 1 1 d . . . . .
H39 H 0.592321 0.426059 -0.104928 0.023 Uiso 1 1 calc R U . . .
C40 C 0.3791(3) 0.41996(9) -0.2514(3) 0.0180(5) Uani 1 1 d . . . . .
C41 C 0.3100(3) 0.45728(10) -0.2283(3) 0.0226(5) Uani 1 1 d . . . . .
H41 H 0.360717 0.478808 -0.156372 0.027 Uiso 1 1 calc R U . . .
C42 C 0.1672(3) 0.46238(11) -0.3115(3) 0.0262(6) Uani 1 1 d . . . . .
H42 H 0.119294 0.487704 -0.297548 0.031 Uiso 1 1 calc R U . . .
C43 C 0.0929(3) 0.43019(13) -0.4167(3) 0.0281(6) Uani 1 1 d . . . . .
H43 H -0.005248 0.434264 -0.473058 0.034 Uiso 1 1 calc R U . . .
C44 C 0.1575(3) 0.39288(12) -0.4408(3) 0.0258(6) Uani 1 1 d . . . . .
H44 H 0.105213 0.371006 -0.511218 0.031 Uiso 1 1 calc R U . . .
C45 C 0.3027(3) 0.38818(10) -0.3583(3) 0.0205(5) Uani 1 1 d . . . . .
C46 C 0.8047(3) 0.37133(9) 0.1226(2) 0.0163(4) Uani 1 1 d . . . . .
C47 C 0.8136(3) 0.40919(9) 0.2065(3) 0.0185(5) Uani 1 1 d . . . . .
C48 C 0.7542(3) 0.40515(10) 0.2920(3) 0.0219(5) Uani 1 1 d . . . . .
H48 H 0.758225 0.431114 0.346686 0.026 Uiso 1 1 calc R U . . .
C49 C 0.6892(3) 0.36442(10) 0.2998(3) 0.0237(5) Uani 1 1 d . . . . .
C50 C 0.6852(3) 0.32700(10) 0.2195(3) 0.0252(6) Uani 1 1 d . . . . .
H50 H 0.643809 0.298546 0.225619 0.030 Uiso 1 1 calc R U . . .
C51 C 0.7399(3) 0.32982(9) 0.1301(3) 0.0198(5) Uani 1 1 d . . . . .
C52 C 0.8846(3) 0.45473(10) 0.2095(3) 0.0259(6) Uani 1 1 d . . . . .
H52A H 0.970985 0.448427 0.205535 0.039 Uiso 1 1 calc R U . . .
H52B H 0.907431 0.471516 0.294069 0.039 Uiso 1 1 calc R U . . .
H52C H 0.821614 0.473810 0.130725 0.039 Uiso 1 1 calc R U . . .
C53 C 0.6258(4) 0.36129(13) 0.3934(4) 0.0367(8) Uani 1 1 d . . . . .
H53A H 0.531920 0.347550 0.343741 0.055 Uiso 1 1 calc R U . . .
H53B H 0.619159 0.392633 0.424991 0.055 Uiso 1 1 calc R U . . .
H53C H 0.685168 0.341661 0.472324 0.055 Uiso 1 1 calc R U . . .
C54 C 0.7264(3) 0.28746(10) 0.0440(3) 0.0261(6) Uani 1 1 d . . . . .
H54A H 0.637385 0.288943 -0.041674 0.039 Uiso 1 1 calc R U . . .
H54B H 0.728579 0.259116 0.094065 0.039 Uiso 1 1 calc R U . . .
H54C H 0.804303 0.286859 0.023679 0.039 Uiso 1 1 calc R U . . .
C55 C 0.8921(3) 0.44091(9) -0.0589(3) 0.0198(5) Uani 1 1 d . . . . .
C56 C 1.0304(3) 0.46145(9) -0.0169(3) 0.0191(5) Uani 1 1 d . . . . .
C57 C 1.1606(3) 0.44177(10) 0.0531(3) 0.0198(5) Uani 1 1 d . . . . .
H57 H 1.176793 0.410726 0.087224 0.024 Uiso 1 1 calc R U . . .
C59 C 1.2156(3) 0.51691(10) 0.0089(3) 0.0204(5) Uani 1 1 d . . . . .
C60 C 1.3043(3) 0.55279(11) 0.0119(3) 0.0273(6) Uani 1 1 d . . . . .
H60 H 1.267608 0.582134 -0.029608 0.033 Uiso 1 1 calc R U . . .
C61 C 1.4463(4) 0.54421(12) 0.0771(3) 0.0311(7) Uani 1 1 d . . . . .
H61 H 1.508388 0.568289 0.081723 0.037 Uiso 1 1 calc R U . . .
C62 C 1.5015(3) 0.50080(12) 0.1368(3) 0.0280(6) Uani 1 1 d . . . . .
H62 H 1.599927 0.495835 0.180293 0.034 Uiso 1 1 calc R U . . .
C63 C 1.4147(3) 0.46535(11) 0.1330(3) 0.0241(6) Uani 1 1 d . . . . .
H63 H 1.452627 0.435943 0.173227 0.029 Uiso 1 1 calc R U . . .
C64 C 1.2695(3) 0.47309(10) 0.0692(3) 0.0197(5) Uani 1 1 d . . . . .
C65 C 1.0246(3) 0.33624(9) 0.0068(3) 0.0171(5) Uani 1 1 d . . . . .
C66 C 1.0554(3) 0.33589(9) -0.1021(3) 0.0198(5) Uani 1 1 d . . . . .
C67 C 1.1688(3) 0.30992(10) -0.0901(3) 0.0225(5) Uani 1 1 d . . . . .
H67 H 1.190560 0.310400 -0.162773 0.027 Uiso 1 1 calc R U . . .
C68 C 1.2509(3) 0.28329(10) 0.0254(3) 0.0230(5) Uani 1 1 d . . . . .
C69 C 1.2231(3) 0.28529(10) 0.1334(3) 0.0227(5) Uani 1 1 d . . . . .
H69 H 1.281125 0.268199 0.214237 0.027 Uiso 1 1 calc R U . . .
C70 C 1.1130(3) 0.31147(9) 0.1279(3) 0.0180(5) Uani 1 1 d . . . . .
C71 C 1.0960(3) 0.31243(11) 0.2539(3) 0.0249(6) Uani 1 1 d . . . . .
H71A H 1.077652 0.344507 0.271429 0.037 Uiso 1 1 calc R U . . .
H71B H 1.181987 0.300997 0.332392 0.037 Uiso 1 1 calc R U . . .
H71C H 1.017125 0.292416 0.239710 0.037 Uiso 1 1 calc R U . . .
C72 C 0.9743(3) 0.36309(11) -0.2326(3) 0.0280(6) Uani 1 1 d . . . . .
H72A H 0.922236 0.341429 -0.308454 0.042 Uiso 1 1 calc R U . . .
H72B H 1.039501 0.381374 -0.250848 0.042 Uiso 1 1 calc R U . . .
H72C H 0.908548 0.384161 -0.223454 0.042 Uiso 1 1 calc R U . . .
C73 C 1.3647(3) 0.25243(13) 0.0289(4) 0.0353(7) Uani 1 1 d . . . . .
H73A H 1.322162 0.225568 -0.031549 0.053 Uiso 1 1 calc R U . . .
H73B H 1.425006 0.241452 0.122492 0.053 Uiso 1 1 calc R U . . .
H73C H 1.420979 0.270219 -0.002059 0.053 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'
S S 0.1246 0.1234 '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
C3 Ge1 C4 120.60(11) . . ?
C3 Ge1 C1 107.49(11) . . ?
C4 Ge1 C1 101.67(11) . . ?
C3 Ge1 C2 104.81(11) . . ?
C4 Ge1 C2 114.43(11) . . ?
C1 Ge1 C2 106.96(11) . . ?
C65 Ge2 C46 119.05(11) . . ?
C65 Ge2 C55 109.52(11) . . ?
C46 Ge2 C55 111.22(11) . . ?
C65 Ge2 C37 106.33(11) . . ?
C46 Ge2 C37 104.32(11) . . ?
C55 Ge2 C37 105.26(11) . . ?
C12 S1 C5 90.86(13) . . ?
C20 S2 C13 90.99(13) . . ?
C59 S3 C56 90.58(13) . . ?
C45 S4 C38 90.46(13) . . ?
O1 C1 C5 119.9(2) . . ?
O1 C1 Ge1 119.2(2) . . ?
C5 C1 Ge1 120.90(19) . . ?
O2 C2 C13 119.0(3) . . ?
O2 C2 Ge1 119.4(2) . . ?
C13 C2 Ge1 121.55(19) . . ?
C21 C3 C25 119.2(2) . . ?
C21 C3 Ge1 124.3(2) . . ?
C25 C3 Ge1 115.89(19) . . ?
C33 C4 C29 119.2(3) . . ?
C33 C4 Ge1 123.3(2) . . ?
C29 C4 Ge1 117.2(2) . . ?
C6 C5 C1 129.3(2) . . ?
C6 C5 S1 112.60(19) . . ?
C1 C5 S1 118.1(2) . . ?
C5 C6 C7 112.9(2) . . ?
C5 C6 H6 123.5 . . ?
C7 C6 H6 123.5 . . ?
C8 C7 C12 119.6(2) . . ?
C8 C7 C6 128.5(3) . . ?
C12 C7 C6 111.9(2) . . ?
C9 C8 C7 119.3(3) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C10 120.5(3) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 121.6(3) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C10 C11 C12 118.2(3) . . ?
C10 C11 H11 120.9 . . ?
C12 C11 H11 120.9 . . ?
C11 C12 C7 120.9(3) . . ?
C11 C12 S1 127.3(2) . . ?
C7 C12 S1 111.76(19) . . ?
C14 C13 C2 131.0(3) . . ?
C14 C13 S2 112.2(2) . . ?
C2 C13 S2 116.8(2) . . ?
C13 C14 C15 113.1(2) . . ?
C13 C14 H14 123.5 . . ?
C15 C14 H14 123.5 . . ?
C16 C15 C20 119.8(3) . . ?
C16 C15 C14 128.4(3) . . ?
C20 C15 C14 111.8(2) . . ?
C17 C16 C15 118.6(3) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C16 C17 C18 121.1(3) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C19 C18 C17 121.3(3) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C20 118.0(3) . . ?
C18 C19 H19 121.0 . . ?
C20 C19 H19 121.0 . . ?
C19 C20 C15 121.2(3) . . ?
C19 C20 S2 127.0(2) . . ?
C15 C20 S2 111.8(2) . . ?
C22 C21 C3 119.5(3) . . ?
C22 C21 C26 117.2(2) . . ?
C3 C21 C26 123.2(2) . . ?
C23 C22 C21 121.7(3) . . ?
C23 C22 H22 119.1 . . ?
C21 C22 H22 119.1 . . ?
C24 C23 C22 118.1(3) . . ?
C24 C23 C27 120.6(3) . . ?
C22 C23 C27 121.3(3) . . ?
C23 C24 C25 122.2(3) . . ?
C23 C24 H24 118.9 . . ?
C25 C24 H24 118.9 . . ?
C24 C25 C3 119.2(2) . . ?
C24 C25 C28 116.8(3) . . ?
C3 C25 C28 123.9(2) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C4 119.4(3) . . ?
C30 C29 C34 117.3(3) . . ?
C4 C29 C34 123.2(3) . . ?
C31 C30 C29 122.0(3) . . ?
C31 C30 H30 119.0 . . ?
C29 C30 H30 119.0 . . ?
C32 C31 C30 118.2(3) . . ?
C32 C31 C35 122.0(3) . . ?
C30 C31 C35 119.8(3) . . ?
C31 C32 C33 122.1(3) . . ?
C31 C32 H32 119.0 . . ?
C33 C32 H32 119.0 . . ?
C32 C33 C4 119.2(3) . . ?
C32 C33 C36 117.9(3) . . ?
C4 C33 C36 123.0(3) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O4 C37 C38 120.8(3) . . ?
O4 C37 Ge2 119.9(2) . . ?
C38 C37 Ge2 119.22(19) . . ?
C39 C38 C37 128.6(2) . . ?
C39 C38 S4 112.7(2) . . ?
C37 C38 S4 118.7(2) . . ?
C38 C39 C40 113.3(2) . . ?
C38 C39 H39 123.4 . . ?
C40 C39 H39 123.4 . . ?
C41 C40 C45 119.9(3) . . ?
C41 C40 C39 128.6(3) . . ?
C45 C40 C39 111.5(2) . . ?
C42 C41 C40 119.2(3) . . ?
C42 C41 H41 120.4 . . ?
C40 C41 H41 120.4 . . ?
C41 C42 C43 120.0(3) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C44 C43 C42 122.1(3) . . ?
C44 C43 H43 118.9 . . ?
C42 C43 H43 118.9 . . ?
C43 C44 C45 117.9(3) . . ?
C43 C44 H44 121.1 . . ?
C45 C44 H44 121.1 . . ?
C44 C45 C40 120.8(3) . . ?
C44 C45 S4 127.2(2) . . ?
C40 C45 S4 112.0(2) . . ?
C47 C46 C51 119.2(2) . . ?
C47 C46 Ge2 123.9(2) . . ?
C51 C46 Ge2 116.77(19) . . ?
C48 C47 C46 119.2(2) . . ?
C48 C47 C52 117.4(2) . . ?
C46 C47 C52 123.4(2) . . ?
C49 C48 C47 122.2(3) . . ?
C49 C48 H48 118.9 . . ?
C47 C48 H48 118.9 . . ?
C50 C49 C48 117.8(3) . . ?
C50 C49 C53 121.4(3) . . ?
C48 C49 C53 120.8(3) . . ?
C49 C50 C51 122.0(3) . . ?
C49 C50 H50 119.0 . . ?
C51 C50 H50 119.0 . . ?
C50 C51 C46 119.6(3) . . ?
C50 C51 C54 117.9(2) . . ?
C46 C51 C54 122.6(2) . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O3 C55 C56 119.1(2) . . ?
O3 C55 Ge2 117.6(2) . . ?
C56 C55 Ge2 123.25(19) . . ?
C57 C56 C55 129.7(3) . . ?
C57 C56 S3 113.1(2) . . ?
C55 C56 S3 117.2(2) . . ?
C56 C57 C64 112.5(2) . . ?
C56 C57 H57 123.8 . . ?
C64 C57 H57 123.8 . . ?
C60 C59 C64 121.2(3) . . ?
C60 C59 S3 126.7(2) . . ?
C64 C59 S3 112.1(2) . . ?
C61 C60 C59 117.9(3) . . ?
C61 C60 H60 121.0 . . ?
C59 C60 H60 121.0 . . ?
C60 C61 C62 121.6(3) . . ?
C60 C61 H61 119.2 . . ?
C62 C61 H61 119.2 . . ?
C63 C62 C61 120.7(3) . . ?
C63 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C62 C63 C64 119.3(3) . . ?
C62 C63 H63 120.4 . . ?
C64 C63 H63 120.4 . . ?
C63 C64 C59 119.3(3) . . ?
C63 C64 C57 129.0(3) . . ?
C59 C64 C57 111.7(2) . . ?
C66 C65 C70 119.0(2) . . ?
C66 C65 Ge2 116.94(19) . . ?
C70 C65 Ge2 123.9(2) . . ?
C67 C66 C65 119.4(2) . . ?
C67 C66 C72 116.5(2) . . ?
C65 C66 C72 124.0(2) . . ?
C68 C67 C66 121.7(3) . . ?
C68 C67 H67 119.2 . . ?
C66 C67 H67 119.2 . . ?
C69 C68 C67 118.3(3) . . ?
C69 C68 C73 121.8(3) . . ?
C67 C68 C73 119.8(3) . . ?
C68 C69 C70 122.2(3) . . ?
C68 C69 H69 118.9 . . ?
C70 C69 H69 118.9 . . ?
C69 C70 C65 119.1(2) . . ?
C69 C70 C71 117.5(2) . . ?
C65 C70 C71 123.3(2) . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C66 C72 H72A 109.5 . . ?
C66 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C66 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C68 C73 H73A 109.5 . . ?
C68 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C68 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
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 C3 1.956(3) . ?
Ge1 C4 1.967(3) . ?
Ge1 C1 2.031(3) . ?
Ge1 C2 2.035(3) . ?
Ge2 C65 1.956(3) . ?
Ge2 C46 1.968(2) . ?
Ge2 C55 2.027(3) . ?
Ge2 C37 2.036(3) . ?
S1 C12 1.737(3) . ?
S1 C5 1.754(3) . ?
S2 C20 1.736(3) . ?
S2 C13 1.759(3) . ?
S3 C59 1.734(3) . ?
S3 C56 1.747(3) . ?
S4 C45 1.739(3) . ?
S4 C38 1.755(3) . ?
O1 C1 1.224(3) . ?
O2 C2 1.220(3) . ?
O3 C55 1.223(3) . ?
O4 C37 1.223(3) . ?
C1 C5 1.462(4) . ?
C2 C13 1.475(4) . ?
C3 C21 1.406(4) . ?
C3 C25 1.411(4) . ?
C4 C33 1.409(4) . ?
C4 C29 1.414(4) . ?
C5 C6 1.365(4) . ?
C6 C7 1.429(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.400(4) . ?
C7 C12 1.412(4) . ?
C8 C9 1.373(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.404(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.374(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.398(4) . ?
C11 H11 0.9500 . ?
C13 C14 1.368(4) . ?
C14 C15 1.430(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.399(4) . ?
C15 C20 1.410(4) . ?
C16 C17 1.383(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.397(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.379(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.397(4) . ?
C19 H19 0.9500 . ?
C21 C22 1.395(4) . ?
C21 C26 1.506(4) . ?
C22 C23 1.389(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(4) . ?
C23 C27 1.503(4) . ?
C24 C25 1.393(4) . ?
C24 H24 0.9500 . ?
C25 C28 1.509(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.389(4) . ?
C29 C34 1.509(4) . ?
C30 C31 1.389(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.384(4) . ?
C31 C35 1.512(4) . ?
C32 C33 1.398(4) . ?
C32 H32 0.9500 . ?
C33 C36 1.507(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.469(4) . ?
C38 C39 1.357(4) . ?
C39 C40 1.427(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.402(4) . ?
C40 C45 1.410(4) . ?
C41 C42 1.381(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.402(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.377(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.401(4) . ?
C44 H44 0.9500 . ?
C46 C47 1.406(4) . ?
C46 C51 1.406(4) . ?
C47 C48 1.396(4) . ?
C47 C52 1.509(4) . ?
C48 C49 1.389(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.385(4) . ?
C49 C53 1.511(4) . ?
C50 C51 1.392(4) . ?
C50 H50 0.9500 . ?
C51 C54 1.511(4) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.467(4) . ?
C56 C57 1.367(4) . ?
C57 C64 1.428(4) . ?
C57 H57 0.9500 . ?
C59 C60 1.400(4) . ?
C59 C64 1.411(4) . ?
C60 C61 1.377(5) . ?
C60 H60 0.9500 . ?
C61 C62 1.402(5) . ?
C61 H61 0.9500 . ?
C62 C63 1.374(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.404(4) . ?
C63 H63 0.9500 . ?
C65 C66 1.412(4) . ?
C65 C70 1.415(4) . ?
C66 C67 1.392(4) . ?
C66 C72 1.506(4) . ?
C67 C68 1.390(4) . ?
C67 H67 0.9500 . ?
C68 C69 1.382(4) . ?
C68 C73 1.508(4) . ?
C69 C70 1.391(4) . ?
C69 H69 0.9500 . ?
C70 C71 1.508(4) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C6 H6 O2 0.95 2.52 3.054(3) 115.8 . yes
C39 H39 O3 0.95 2.50 3.064(4) 118.4 . yes
C60 H60 S1 0.95 3.02 3.800(3) 140.5 1_554 yes
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
O1 C1 C5 C6 -179.5(3) . . . . ?
Ge1 C1 C5 C6 -1.4(4) . . . . ?
O1 C1 C5 S1 1.4(4) . . . . ?
Ge1 C1 C5 S1 179.49(14) . . . . ?
C12 S1 C5 C6 -0.7(2) . . . . ?
C12 S1 C5 C1 178.6(2) . . . . ?
C1 C5 C6 C7 -178.0(3) . . . . ?
S1 C5 C6 C7 1.1(3) . . . . ?
C5 C6 C7 C8 177.1(3) . . . . ?
C5 C6 C7 C12 -1.1(3) . . . . ?
C12 C7 C8 C9 0.2(4) . . . . ?
C6 C7 C8 C9 -177.9(3) . . . . ?
C7 C8 C9 C10 -0.4(4) . . . . ?
C8 C9 C10 C11 0.2(5) . . . . ?
C9 C10 C11 C12 0.1(4) . . . . ?
C10 C11 C12 C7 -0.2(4) . . . . ?
C10 C11 C12 S1 177.3(2) . . . . ?
C8 C7 C12 C11 0.0(4) . . . . ?
C6 C7 C12 C11 178.4(2) . . . . ?
C8 C7 C12 S1 -177.8(2) . . . . ?
C6 C7 C12 S1 0.6(3) . . . . ?
C5 S1 C12 C11 -177.7(3) . . . . ?
C5 S1 C12 C7 0.0(2) . . . . ?
O2 C2 C13 C14 -176.8(3) . . . . ?
Ge1 C2 C13 C14 7.0(4) . . . . ?
O2 C2 C13 S2 6.2(4) . . . . ?
Ge1 C2 C13 S2 -169.93(14) . . . . ?
C20 S2 C13 C14 -0.3(2) . . . . ?
C20 S2 C13 C2 177.2(2) . . . . ?
C2 C13 C14 C15 -177.1(3) . . . . ?
S2 C13 C14 C15 0.0(3) . . . . ?
C13 C14 C15 C16 179.8(3) . . . . ?
C13 C14 C15 C20 0.4(4) . . . . ?
C20 C15 C16 C17 0.6(4) . . . . ?
C14 C15 C16 C17 -178.9(3) . . . . ?
C15 C16 C17 C18 0.4(5) . . . . ?
C16 C17 C18 C19 -0.5(5) . . . . ?
C17 C18 C19 C20 -0.5(4) . . . . ?
C18 C19 C20 C15 1.5(4) . . . . ?
C18 C19 C20 S2 179.8(2) . . . . ?
C16 C15 C20 C19 -1.6(4) . . . . ?
C14 C15 C20 C19 177.9(3) . . . . ?
C16 C15 C20 S2 179.9(2) . . . . ?
C14 C15 C20 S2 -0.6(3) . . . . ?
C13 S2 C20 C19 -177.9(3) . . . . ?
C13 S2 C20 C15 0.5(2) . . . . ?
C25 C3 C21 C22 1.7(4) . . . . ?
Ge1 C3 C21 C22 171.8(2) . . . . ?
C25 C3 C21 C26 -176.5(3) . . . . ?
Ge1 C3 C21 C26 -6.4(4) . . . . ?
C3 C21 C22 C23 -2.3(4) . . . . ?
C26 C21 C22 C23 176.0(3) . . . . ?
C21 C22 C23 C24 1.2(4) . . . . ?
C21 C22 C23 C27 -177.3(3) . . . . ?
C22 C23 C24 C25 0.6(4) . . . . ?
C27 C23 C24 C25 179.0(3) . . . . ?
C23 C24 C25 C3 -1.1(4) . . . . ?
C23 C24 C25 C28 -178.5(3) . . . . ?
C21 C3 C25 C24 -0.1(4) . . . . ?
Ge1 C3 C25 C24 -170.9(2) . . . . ?
C21 C3 C25 C28 177.1(3) . . . . ?
Ge1 C3 C25 C28 6.2(4) . . . . ?
C33 C4 C29 C30 -0.3(4) . . . . ?
Ge1 C4 C29 C30 172.9(2) . . . . ?
C33 C4 C29 C34 -179.3(3) . . . . ?
Ge1 C4 C29 C34 -6.1(4) . . . . ?
C4 C29 C30 C31 -1.7(4) . . . . ?
C34 C29 C30 C31 177.3(3) . . . . ?
C29 C30 C31 C32 2.5(4) . . . . ?
C29 C30 C31 C35 -177.7(3) . . . . ?
C30 C31 C32 C33 -1.3(4) . . . . ?
C35 C31 C32 C33 178.9(3) . . . . ?
C31 C32 C33 C4 -0.6(4) . . . . ?
C31 C32 C33 C36 -179.9(3) . . . . ?
C29 C4 C33 C32 1.4(4) . . . . ?
Ge1 C4 C33 C32 -171.4(2) . . . . ?
C29 C4 C33 C36 -179.3(3) . . . . ?
Ge1 C4 C33 C36 8.0(4) . . . . ?
O4 C37 C38 C39 -176.3(3) . . . . ?
Ge2 C37 C38 C39 7.8(4) . . . . ?
O4 C37 C38 S4 2.9(4) . . . . ?
Ge2 C37 C38 S4 -173.05(14) . . . . ?
C45 S4 C38 C39 0.5(2) . . . . ?
C45 S4 C38 C37 -178.7(2) . . . . ?
C37 C38 C39 C40 178.2(3) . . . . ?
S4 C38 C39 C40 -1.0(3) . . . . ?
C38 C39 C40 C41 -177.4(3) . . . . ?
C38 C39 C40 C45 1.1(3) . . . . ?
C45 C40 C41 C42 -0.1(4) . . . . ?
C39 C40 C41 C42 178.3(3) . . . . ?
C40 C41 C42 C43 0.6(4) . . . . ?
C41 C42 C43 C44 0.1(5) . . . . ?
C42 C43 C44 C45 -1.4(4) . . . . ?
C43 C44 C45 C40 1.9(4) . . . . ?
C43 C44 C45 S4 -177.1(2) . . . . ?
C41 C40 C45 C44 -1.2(4) . . . . ?
C39 C40 C45 C44 -179.9(3) . . . . ?
C41 C40 C45 S4 178.0(2) . . . . ?
C39 C40 C45 S4 -0.7(3) . . . . ?
C38 S4 C45 C44 179.2(3) . . . . ?
C38 S4 C45 C40 0.1(2) . . . . ?
C51 C46 C47 C48 -2.0(4) . . . . ?
Ge2 C46 C47 C48 173.05(19) . . . . ?
C51 C46 C47 C52 178.1(3) . . . . ?
Ge2 C46 C47 C52 -6.9(4) . . . . ?
C46 C47 C48 C49 1.7(4) . . . . ?
C52 C47 C48 C49 -178.4(3) . . . . ?
C47 C48 C49 C50 0.3(4) . . . . ?
C47 C48 C49 C53 -179.9(3) . . . . ?
C48 C49 C50 C51 -1.9(4) . . . . ?
C53 C49 C50 C51 178.3(3) . . . . ?
C49 C50 C51 C46 1.6(4) . . . . ?
C49 C50 C51 C54 -178.2(3) . . . . ?
C47 C46 C51 C50 0.4(4) . . . . ?
Ge2 C46 C51 C50 -175.0(2) . . . . ?
C47 C46 C51 C54 -179.8(3) . . . . ?
Ge2 C46 C51 C54 4.8(3) . . . . ?
O3 C55 C56 C57 -178.3(3) . . . . ?
Ge2 C55 C56 C57 0.3(4) . . . . ?
O3 C55 C56 S3 -0.5(4) . . . . ?
Ge2 C55 C56 S3 178.09(15) . . . . ?
C59 S3 C56 C57 0.2(2) . . . . ?
C59 S3 C56 C55 -178.0(2) . . . . ?
C55 C56 C57 C64 177.6(3) . . . . ?
S3 C56 C57 C64 -0.3(3) . . . . ?
C56 S3 C59 C60 179.4(3) . . . . ?
C56 S3 C59 C64 -0.1(2) . . . . ?
C64 C59 C60 C61 -0.7(5) . . . . ?
S3 C59 C60 C61 179.8(3) . . . . ?
C59 C60 C61 C62 1.1(5) . . . . ?
C60 C61 C62 C63 -0.6(5) . . . . ?
C61 C62 C63 C64 -0.3(5) . . . . ?
C62 C63 C64 C59 0.7(4) . . . . ?
C62 C63 C64 C57 180.0(3) . . . . ?
C60 C59 C64 C63 -0.2(4) . . . . ?
S3 C59 C64 C63 179.3(2) . . . . ?
C60 C59 C64 C57 -179.6(3) . . . . ?
S3 C59 C64 C57 0.0(3) . . . . ?
C56 C57 C64 C63 -179.1(3) . . . . ?
C56 C57 C64 C59 0.2(4) . . . . ?
C70 C65 C66 C67 2.3(4) . . . . ?
Ge2 C65 C66 C67 179.5(2) . . . . ?
C70 C65 C66 C72 -176.4(3) . . . . ?
Ge2 C65 C66 C72 0.8(4) . . . . ?
C65 C66 C67 C68 1.6(4) . . . . ?
C72 C66 C67 C68 -179.7(3) . . . . ?
C66 C67 C68 C69 -3.9(4) . . . . ?
C66 C67 C68 C73 174.7(3) . . . . ?
C67 C68 C69 C70 2.5(4) . . . . ?
C73 C68 C69 C70 -176.1(3) . . . . ?
C68 C69 C70 C65 1.2(4) . . . . ?
C68 C69 C70 C71 -177.8(3) . . . . ?
C66 C65 C70 C69 -3.6(4) . . . . ?
Ge2 C65 C70 C69 179.4(2) . . . . ?
C66 C65 C70 C71 175.4(3) . . . . ?
Ge2 C65 C70 C71 -1.6(4) . . . . ?
