# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b12139
_database_code_depnum_ccdc_archive 'CCDC 1434234'
_audit_update_record             
;
2016-02-19 deposited with the CCDC.
2016-04-01 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C95 H123 Ge2 O2'
_chemical_formula_weight         1442.11
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.871(7)
_cell_length_b                   16.645(10)
_cell_length_c                   23.354(13)
_cell_angle_alpha                71.593(14)
_cell_angle_beta                 87.449(7)
_cell_angle_gamma                67.404(8)
_cell_volume                     4366(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150
_cell_measurement_reflns_used    9904
_cell_measurement_theta_min      2.65
_cell_measurement_theta_max      27.60
_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.097
_exptl_crystal_F_000             1546
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.328
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.042
_exptl_absorpt_coefficient_mu    0.733
_shelx_estimated_absorpt_T_min   0.795
_shelx_estimated_absorpt_T_max   0.970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6753
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            114140
_diffrn_reflns_av_unetI/netI     0.0738
_diffrn_reflns_av_R_equivalents  0.0951
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.401
_diffrn_reflns_theta_max         27.105
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             19249
_reflns_number_gt                12934
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    XS
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    XP
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0710P)²+3.5180P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19249
_refine_ls_number_parameters     893
_refine_ls_number_restraints     43
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0532
_refine_ls_wR_factor_ref         0.1487
_refine_ls_wR_factor_gt          0.1288
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
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 0.68531(3) 1.07500(2) 0.21733(2) 0.01971(9) Uani 1 1 d . . . . .
Ge2 Ge 0.74322(3) 0.94260(2) 0.34826(2) 0.01800(9) Uani 1 1 d . . . . .
O1 O 0.4060(2) 1.33715(15) 0.29467(10) 0.0292(5) Uani 1 1 d . . . . .
C1 C 0.5657(3) 1.1099(2) 0.27257(14) 0.0201(6) Uani 1 1 d . . . . .
C2 C 0.5971(3) 1.0453(2) 0.32730(14) 0.0209(6) Uani 1 1 d . . . . .
H2 H 0.5452 1.0500 0.3575 0.025 Uiso 1 1 calc R U . . .
C3 C 0.7564(3) 0.8785(2) 0.28922(13) 0.0205(6) Uani 1 1 d . . . . .
C4 C 0.7305(3) 0.9425(2) 0.23410(14) 0.0231(7) Uani 1 1 d . . . . .
H4 H 0.7344 0.9218 0.2002 0.028 Uiso 1 1 calc R U . . .
C5 C 0.4627(3) 1.1992(2) 0.25974(14) 0.0223(7) Uani 1 1 d . . . . .
C6 C 0.4299(3) 1.2634(2) 0.19500(14) 0.0279(7) Uani 1 1 d . . . . .
H6A H 0.3622 1.3179 0.1937 0.042 Uiso 1 1 calc R U . . .
H6B H 0.4920 1.2822 0.1798 0.042 Uiso 1 1 calc R U . . .
H6C H 0.4142 1.2316 0.1696 0.042 Uiso 1 1 calc R U . . .
C7 C 0.4434(3) 1.2415(2) 0.30995(14) 0.0238(7) Uani 1 1 d . . . . .
H7 H 0.4997 1.2055 0.3462 0.029 Uiso 1 1 calc R U . . .
C8 C 0.3654(3) 1.1978(2) 0.30140(14) 0.0245(7) Uani 1 1 d . . . . .
H8 H 0.3822 1.1362 0.3326 0.029 Uiso 1 1 calc R U . . .
C9 C 0.3515(3) 1.3677(3) 0.34298(17) 0.0388(9) Uani 1 1 d . . . . .
H9A H 0.3261 1.4347 0.3312 0.058 Uiso 1 1 calc R U . . .
H9B H 0.2862 1.3506 0.3516 0.058 Uiso 1 1 calc R U . . .
H9C H 0.4047 1.3388 0.3793 0.058 Uiso 1 1 calc R U . . .
C10 C 0.2425(3) 1.2484(2) 0.27956(14) 0.0263(7) Uani 1 1 d . . . . .
C11 C 0.1738(3) 1.1990(2) 0.29391(15) 0.0297(8) Uani 1 1 d . . . . .
H11 H 0.2071 1.1348 0.3150 0.036 Uiso 1 1 calc R U . . .
C12 C 0.0587(3) 1.2402(3) 0.27849(18) 0.0402(9) Uani 1 1 d . . . . .
H12 H 0.0141 1.2045 0.2887 0.048 Uiso 1 1 calc R U . . .
C13 C 0.0088(3) 1.3334(3) 0.24821(18) 0.0444(10) Uani 1 1 d . . . . .
H13 H -0.0706 1.3623 0.2381 0.053 Uiso 1 1 calc R U . . .
C14 C 0.0748(3) 1.3843(3) 0.23266(17) 0.0429(10) Uani 1 1 d . . . . .
H14 H 0.0408 1.4484 0.2113 0.051 Uiso 1 1 calc R U . . .
C15 C 0.1907(3) 1.3427(2) 0.24803(16) 0.0351(8) Uani 1 1 d . . . . .
H15 H 0.2352 1.3785 0.2370 0.042 Uiso 1 1 calc R U . . .
C16 C 0.7942(3) 0.7777(2) 0.29983(14) 0.0238(7) Uani 1 1 d . . . . .
C17 C 0.8165(5) 0.7480(3) 0.24463(18) 0.0562(13) Uani 1 1 d . . . . .
H17A H 0.8406 0.6811 0.2567 0.084 Uiso 1 1 calc R U . . .
H17B H 0.7473 0.7779 0.2172 0.084 Uiso 1 1 calc R U . . .
H17C H 0.8761 0.7658 0.2239 0.084 Uiso 1 1 calc R U . . .
C18 C 0.8561(4) 0.7109(2) 0.35921(17) 0.0399(10) Uani 1 1 d . . . . .
H18 H 0.8725 0.7387 0.3881 0.048 Uiso 1 1 calc R U . . .
C19 C 0.7387(4) 0.7270(2) 0.34930(18) 0.0409(9) Uani 1 1 d . . . . .
H19 H 0.6873 0.7666 0.3717 0.049 Uiso 1 1 calc R U . . .
O2 O 0.9410(3) 0.62563(18) 0.35948(13) 0.0499(7) Uani 1 1 d . . . . .
C20 C 1.0472(3) 0.6323(3) 0.3389(2) 0.0533(12) Uani 1 1 d . . . . .
H20A H 1.1020 0.5714 0.3402 0.080 Uiso 1 1 calc R U . . .
H20B H 1.0338 0.6747 0.2973 0.080 Uiso 1 1 calc R U . . .
H20C H 1.0769 0.6552 0.3655 0.080 Uiso 1 1 calc R U . . .
C21 C 0.6930(4) 0.6635(3) 0.33606(19) 0.0455(10) Uani 1 1 d . . . . .
C22 C 0.5915(4) 0.6986(3) 0.3015(2) 0.0649(15) Uani 1 1 d . . . . .
H22 H 0.5539 0.7632 0.2834 0.078 Uiso 1 1 calc R U . . .
C23 C 0.5441(5) 0.6420(3) 0.2930(3) 0.0732(17) Uani 1 1 d . . . . .
H23 H 0.4684 0.6683 0.2756 0.088 Uiso 1 1 calc R U . . .
C24 C 0.6015(5) 0.5494(3) 0.3086(3) 0.0683(15) Uani 1 1 d . . . . .
H24 H 0.5740 0.5120 0.2957 0.082 Uiso 1 1 calc R U . . .
C25 C 0.7009(5) 0.5134(3) 0.3439(3) 0.090(2) Uani 1 1 d . . . . .
H25 H 0.7398 0.4485 0.3595 0.108 Uiso 1 1 calc R U . . .
C26 C 0.7470(4) 0.5694(3) 0.3577(3) 0.0707(16) Uani 1 1 d . . . . .
H26 H 0.8164 0.5420 0.3822 0.085 Uiso 1 1 calc R U . . .
C27 C 0.7782(2) 0.91799(19) 0.43460(13) 0.0178(6) Uani 1 1 d . . . . .
C28 C 0.7668(3) 0.8571(2) 0.48959(13) 0.0191(6) Uani 1 1 d . . . . .
C29 C 0.7883(3) 0.8688(2) 0.54357(14) 0.0220(7) Uani 1 1 d . . . . .
H29 H 0.7751 0.8309 0.5807 0.026 Uiso 1 1 calc R U . . .
C30 C 0.8284(3) 0.9345(2) 0.54422(14) 0.0228(7) Uani 1 1 d . . . . .
H30 H 0.8456 0.9395 0.5818 0.027 Uiso 1 1 calc R U . . .
C31 C 0.8437(3) 0.9929(2) 0.49059(14) 0.0230(7) Uani 1 1 d . . . . .
H31 H 0.8744 1.0361 0.4915 0.028 Uiso 1 1 calc R U . . .
C32 C 0.8142(3) 0.9887(2) 0.43488(13) 0.0192(6) Uani 1 1 d . . . . .
C33 C 0.8204(3) 1.0537(2) 0.37532(14) 0.0207(6) Uani 1 1 d . . . . .
C34 C 0.8487(3) 1.0079(2) 0.32557(13) 0.0202(6) Uani 1 1 d . . . . .
C35 C 0.8217(3) 1.0755(2) 0.25877(14) 0.0225(7) Uani 1 1 d . . . . .
H35 H 0.8877 1.0488 0.2367 0.027 Uiso 1 1 calc R U . . .
C36 C 0.8181(3) 1.1670(2) 0.25473(15) 0.0266(7) Uani 1 1 d . . . . .
H36 H 0.8256 1.2057 0.2164 0.032 Uiso 1 1 calc R U . . .
C37 C 0.8052(3) 1.1985(2) 0.30128(15) 0.0268(7) Uani 1 1 d . . . . .
H37 H 0.8018 1.2589 0.2942 0.032 Uiso 1 1 calc R U . . .
C38 C 0.7958(3) 1.1448(2) 0.36315(14) 0.0229(7) Uani 1 1 d . . . . .
C39 C 0.9760(3) 0.9400(2) 0.33821(15) 0.0255(7) Uani 1 1 d . . . . .
H39 H 0.9868 0.9010 0.3817 0.031 Uiso 1 1 calc R U . . .
C40 C 1.0139(3) 0.8743(3) 0.30142(18) 0.0387(9) Uani 1 1 d . . . . .
H40A H 0.9634 0.8416 0.3059 0.058 Uiso 1 1 calc R U . . .
H40B H 1.0115 0.9093 0.2586 0.058 Uiso 1 1 calc R U . . .
H40C H 1.0913 0.8299 0.3161 0.058 Uiso 1 1 calc R U . . .
C41 C 1.0548(3) 0.9907(3) 0.33106(19) 0.0392(9) Uani 1 1 d . . . . .
H41A H 1.0306 1.0330 0.3547 0.059 Uiso 1 1 calc R U . . .
H41B H 1.1321 0.9461 0.3457 0.059 Uiso 1 1 calc R U . . .
H41C H 1.0523 1.0255 0.2882 0.059 Uiso 1 1 calc R U . . .
C42 C 0.7589(3) 1.1978(2) 0.40799(15) 0.0253(7) Uani 1 1 d . . . . .
H42 H 0.7355 1.1596 0.4444 0.030 Uiso 1 1 calc R U . . .
C43 C 0.8570(3) 1.2166(2) 0.42869(17) 0.0332(8) Uani 1 1 d . . . . .
H43A H 0.8313 1.2507 0.4575 0.050 Uiso 1 1 calc R U . . .
H43B H 0.9200 1.1580 0.4483 0.050 Uiso 1 1 calc R U . . .
H43C H 0.8822 1.2529 0.3934 0.050 Uiso 1 1 calc R U . . .
C44 C 0.6581(3) 1.2897(2) 0.38087(19) 0.0375(9) Uani 1 1 d . . . . .
H44A H 0.6367 1.3219 0.4109 0.056 Uiso 1 1 calc R U . . .
H44B H 0.6792 1.3279 0.3448 0.056 Uiso 1 1 calc R U . . .
H44C H 0.5940 1.2781 0.3696 0.056 Uiso 1 1 calc R U . . .
C45 C 0.7401(3) 0.7748(2) 0.49415(13) 0.0204(6) Uani 1 1 d . . . . .
C46 C 0.6298(3) 0.7846(2) 0.47979(14) 0.0227(7) Uani 1 1 d . . . . .
C47 C 0.6095(3) 0.7056(2) 0.48622(15) 0.0288(7) Uani 1 1 d . . . . .
H47 H 0.5357 0.7113 0.4763 0.035 Uiso 1 1 calc R U . . .
C48 C 0.6959(3) 0.6189(2) 0.50698(16) 0.0341(8) Uani 1 1 d . . . . .
H48 H 0.6813 0.5659 0.5101 0.041 Uiso 1 1 calc R U . . .
C49 C 0.8024(3) 0.6095(2) 0.52295(15) 0.0294(8) Uani 1 1 d . . . . .
H49 H 0.8601 0.5497 0.5384 0.035 Uiso 1 1 calc R U . . .
C50 C 0.8275(3) 0.6865(2) 0.51697(14) 0.0234(7) Uani 1 1 d . . . . .
C51 C 0.5322(3) 0.8782(2) 0.46220(15) 0.0264(7) Uani 1 1 d . . . . .
H51 H 0.5638 0.9258 0.4430 0.032 Uiso 1 1 calc R U . . .
C52 C 0.4404(3) 0.8899(3) 0.41718(17) 0.0416(10) Uani 1 1 d . . . . .
H52A H 0.3807 0.9516 0.4081 0.062 Uiso 1 1 calc R U . . .
H52B H 0.4734 0.8818 0.3797 0.062 Uiso 1 1 calc R U . . .
H52C H 0.4082 0.8438 0.4349 0.062 Uiso 1 1 calc R U . . .
C53 C 0.4801(3) 0.8959(2) 0.51983(16) 0.0308(8) Uani 1 1 d . . . . .
H53A H 0.4171 0.9562 0.5088 0.046 Uiso 1 1 calc R U . . .
H53B H 0.4523 0.8480 0.5409 0.046 Uiso 1 1 calc R U . . .
H53C H 0.5375 0.8948 0.5466 0.046 Uiso 1 1 calc R U . . .
C54 C 0.9460(3) 0.6712(2) 0.53755(15) 0.0259(7) Uani 1 1 d . . . . .
H54 H 0.9530 0.7321 0.5240 0.031 Uiso 1 1 calc R U . . .
C55 C 1.0374(3) 0.6066(3) 0.50990(18) 0.0425(10) Uani 1 1 d . . . . .
H55A H 1.1122 0.5987 0.5243 0.064 Uiso 1 1 calc R U . . .
H55B H 1.0314 0.5467 0.5221 0.064 Uiso 1 1 calc R U . . .
H55C H 1.0271 0.6332 0.4656 0.064 Uiso 1 1 calc R U . . .
C56 C 0.9661(3) 0.6328(2) 0.60631(16) 0.0336(8) Uani 1 1 d . . . . .
H56A H 1.0427 0.6234 0.6187 0.050 Uiso 1 1 calc R U . . .
H56B H 0.9111 0.6762 0.6239 0.050 Uiso 1 1 calc R U . . .
H56C H 0.9573 0.5739 0.6206 0.050 Uiso 1 1 calc R U . . .
C57 C 0.6353(3) 1.1381(2) 0.12885(14) 0.0236(7) Uani 1 1 d . . . . .
C58 C 0.5652(3) 1.1101(2) 0.10073(14) 0.0248(7) Uani 1 1 d . . . . .
C59 C 0.5024(3) 1.1690(2) 0.04541(15) 0.0324(8) Uani 1 1 d . . . . .
H59 H 0.4512 1.1522 0.0285 0.039 Uiso 1 1 calc R U . . .
C60 C 0.5131(3) 1.2509(3) 0.01492(15) 0.0357(9) Uani 1 1 d . . . . .
H60 H 0.4674 1.2915 -0.0215 0.043 Uiso 1 1 calc R U . . .
C61 C 0.5910(3) 1.2727(2) 0.03817(15) 0.0324(8) Uani 1 1 d . . . . .
H61 H 0.6030 1.3265 0.0157 0.039 Uiso 1 1 calc R U . . .
C62 C 0.6531(3) 1.2178(2) 0.09394(14) 0.0254(7) Uani 1 1 d . . . . .
C63 C 0.5619(3) 1.0150(2) 0.11885(14) 0.0259(7) Uani 1 1 d . . . . .
C64 C 0.4822(3) 0.9908(2) 0.15489(14) 0.0271(7) Uani 1 1 d . . . . .
C65 C 0.4748(3) 0.9068(2) 0.16133(16) 0.0339(8) Uani 1 1 d . . . . .
H65 H 0.4200 0.8905 0.1854 0.041 Uiso 1 1 calc R U . . .
C66 C 0.5459(3) 0.8471(3) 0.13337(17) 0.0379(9) Uani 1 1 d . . . . .
H66 H 0.5403 0.7901 0.1384 0.045 Uiso 1 1 calc R U . . .
C67 C 0.6241(3) 0.8708(3) 0.09851(16) 0.0367(9) Uani 1 1 d . . . . .
H67 H 0.6727 0.8294 0.0794 0.044 Uiso 1 1 calc R U . . .
C68 C 0.6350(3) 0.9544(2) 0.09001(15) 0.0300(8) Uani 1 1 d . . . . .
C69 C 0.4012(3) 1.0533(2) 0.18657(15) 0.0297(8) Uani 1 1 d . . . . .
H69 H 0.4338 1.0980 0.1888 0.036 Uiso 1 1 calc R U . . .
C70 C 0.3904(4) 1.0003(3) 0.25140(17) 0.0425(10) Uani 1 1 d . . . . .
H70A H 0.3376 1.0428 0.2703 0.064 Uiso 1 1 calc R U . . .
H70B H 0.3622 0.9535 0.2511 0.064 Uiso 1 1 calc R U . . .
H70C H 0.4646 0.9705 0.2745 0.064 Uiso 1 1 calc R U . . .
C71 C 0.2858(3) 1.1093(3) 0.15061(19) 0.0472(11) Uani 1 1 d . . . . .
H71A H 0.2359 1.1487 0.1724 0.071 Uiso 1 1 calc R U . . .
H71B H 0.2946 1.1476 0.1107 0.071 Uiso 1 1 calc R U . . .
H71C H 0.2527 1.0676 0.1456 0.071 Uiso 1 1 calc R U . . .
C72 C 0.7240(3) 0.9761(3) 0.04991(15) 0.0356(9) Uani 1 1 d . . . . .
H72 H 0.7225 1.0364 0.0502 0.043 Uiso 1 1 calc R U . . .
C73 C 0.8419(3) 0.9030(3) 0.0741(2) 0.0523(11) Uani 1 1 d . . . . .
H73A H 0.8578 0.8983 0.1159 0.078 Uiso 1 1 calc R U . . .
H73B H 0.8459 0.8436 0.0730 0.078 Uiso 1 1 calc R U . . .
H73C H 0.8979 0.9202 0.0489 0.078 Uiso 1 1 calc R U . . .
C74 C 0.6974(4) 0.9846(4) -0.01524(18) 0.0611(13) Uani 1 1 d . . . . .
H74A H 0.6214 1.0318 -0.0301 0.092 Uiso 1 1 calc R U . . .
H74B H 0.7527 1.0021 -0.0408 0.092 Uiso 1 1 calc R U . . .
H74C H 0.7008 0.9255 -0.0167 0.092 Uiso 1 1 calc R U . . .
C75 C 0.7442(3) 1.2464(2) 0.10864(14) 0.0288(8) Uani 1 1 d . . . . .
C76 C 0.7166(3) 1.3313(2) 0.11828(15) 0.0331(8) Uani 1 1 d . . . . .
C77 C 0.8039(3) 1.3592(3) 0.12474(17) 0.0399(9) Uani 1 1 d . . . . .
H77 H 0.7862 1.4160 0.1317 0.048 Uiso 1 1 calc R U . . .
C78 C 0.9146(4) 1.3060(3) 0.12118(18) 0.0453(10) Uani 1 1 d . . . . .
H78 H 0.9726 1.3263 0.1254 0.054 Uiso 1 1 calc R U . . .
C79 C 0.9408(3) 1.2235(3) 0.11152(17) 0.0427(10) Uani 1 1 d . . . . .
H79 H 1.0177 1.1871 0.1094 0.051 Uiso 1 1 calc R U . . .
C80 C 0.8584(3) 1.1916(3) 0.10469(15) 0.0339(8) Uani 1 1 d . . . . .
C81 C 0.5970(3) 1.3951(2) 0.12314(17) 0.0359(9) Uani 1 1 d . . . . .
H81 H 0.5444 1.3683 0.1144 0.043 Uiso 1 1 calc R U . . .
C82 C 0.5815(4) 1.4004(3) 0.18752(18) 0.0474(10) Uani 1 1 d . . . . .
H82A H 0.5040 1.4418 0.1894 0.071 Uiso 1 1 calc R U . . .
H82B H 0.5962 1.3389 0.2161 0.071 Uiso 1 1 calc R U . . .
H82C H 0.6346 1.4238 0.1982 0.071 Uiso 1 1 calc R U . . .
C83 C 0.5636(4) 1.4912(3) 0.0771(2) 0.0572(13) Uani 1 1 d . . . . .
H83A H 0.4862 1.5297 0.0819 0.086 Uiso 1 1 calc R U . . .
H83B H 0.6153 1.5185 0.0837 0.086 Uiso 1 1 calc R U . . .
H83C H 0.5678 1.4871 0.0360 0.086 Uiso 1 1 calc R U . . .
C84 C 0.8915(3) 1.1050(3) 0.08766(17) 0.0393(9) Uani 1 1 d . . . . .
H84 H 0.8370 1.0758 0.1046 0.047 Uiso 1 1 calc R U . . .
C85 C 1.0111(3) 1.0330(3) 0.1127(2) 0.0526(11) Uani 1 1 d . . . . .
H85A H 1.0258 0.9794 0.0997 0.079 Uiso 1 1 calc R U . . .
H85B H 1.0666 1.0598 0.0973 0.079 Uiso 1 1 calc R U . . .
H85C H 1.0170 1.0140 0.1570 0.079 Uiso 1 1 calc R U . . .
C86 C 0.8784(4) 1.1304(3) 0.01854(18) 0.0560(12) Uani 1 1 d . . . . .
H86A H 0.8999 1.0743 0.0076 0.084 Uiso 1 1 calc R U . . .
H86B H 0.7996 1.1704 0.0035 0.084 Uiso 1 1 calc R U . . .
H86C H 0.9274 1.1627 0.0004 0.084 Uiso 1 1 calc R U . . .
C1S C 0.6939(7) 0.3164(6) 0.5853(4) 0.131(3) Uani 1 1 d D U . . .
H1S1 H 0.7631 0.2709 0.5772 0.197 Uiso 1 1 calc R U . . .
H1S2 H 0.7131 0.3448 0.6119 0.197 Uiso 1 1 calc R U . . .
H1S3 H 0.6438 0.2861 0.6050 0.197 Uiso 1 1 calc R U . . .
C2S C 0.6357(6) 0.3886(5) 0.5271(3) 0.109(2) Uani 1 1 d D U . . .
H2S1 H 0.6893 0.4162 0.5074 0.131 Uiso 1 1 calc R U . . .
H2S2 H 0.6203 0.3577 0.5005 0.131 Uiso 1 1 calc R U . . .
C3S C 0.5302(5) 0.4635(5) 0.5290(3) 0.094(2) Uani 1 1 d D U . . .
H3S1 H 0.5460 0.4943 0.5555 0.112 Uiso 1 1 calc R U . . .
H3S2 H 0.4771 0.4356 0.5491 0.112 Uiso 1 1 calc R U . . .
C4S C 0.2194(13) 1.4678(9) 0.0669(5) 0.235(7) Uani 1 1 d D U . . .
H4S1 H 0.2350 1.4508 0.1107 0.353 Uiso 1 1 calc R U . . .
H4S2 H 0.2860 1.4729 0.0466 0.353 Uiso 1 1 calc R U . . .
H4S3 H 0.1550 1.5270 0.0523 0.353 Uiso 1 1 calc R U . . .
C5S C 0.1913(9) 1.3926(8) 0.0526(5) 0.173(4) Uani 1 1 d D U . . .
H5S1 H 0.2561 1.3328 0.0684 0.207 Uiso 1 1 calc R U . . .
H5S2 H 0.1252 1.3869 0.0741 0.207 Uiso 1 1 calc R U . . .
C6S C 0.1664(11) 1.4123(8) -0.0131(5) 0.214(6) Uani 1 1 d D U . . .
H6S1 H 0.0914 1.4637 -0.0252 0.256 Uiso 1 1 calc R U . . .
H6S2 H 0.2219 1.4363 -0.0345 0.256 Uiso 1 1 calc R U . . .
C7S C 0.1649(11) 1.3451(8) -0.0375(6) 0.229(6) Uani 1 1 d D U . . .
H7S1 H 0.1092 1.3199 -0.0179 0.275 Uiso 1 1 calc R U . . .
H7S2 H 0.2403 1.2940 -0.0288 0.275 Uiso 1 1 calc R U . . .
C8S C 0.1354(14) 1.3843(11) -0.1034(6) 0.264(8) Uani 1 1 d D U . . .
H8S1 H 0.0989 1.3471 -0.1133 0.317 Uiso 1 1 calc R U . . .
H8S2 H 0.0753 1.4463 -0.1104 0.317 Uiso 1 1 calc R U . . .
C9S C 0.2131(12) 1.3958(8) -0.1504(7) 0.249(7) Uani 1 1 d D U . . .
H9S1 H 0.1712 1.4236 -0.1904 0.374 Uiso 1 1 calc R U . . .
H9S2 H 0.2481 1.4359 -0.1445 0.374 Uiso 1 1 calc R U . . .
H9S3 H 0.2720 1.3356 -0.1475 0.374 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C4 1.960(3) . ?
Ge1 C1 1.995(3) . ?
Ge1 C57 2.004(3) . ?
Ge1 C35 2.045(3) . ?
Ge2 C2 1.945(3) . ?
Ge2 C3 1.959(3) . ?
Ge2 C27 1.963(3) . ?
Ge2 C34 2.003(3) . ?
O1 C7 1.400(4) . ?
O1 C9 1.429(4) . ?
C1 C2 1.340(4) . ?
C1 C5 1.516(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.343(4) . ?
C3 C16 1.495(4) . ?
C4 H4 0.9500 . ?
C5 C7 1.515(4) . ?
C5 C6 1.516(4) . ?
C5 C8 1.553(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.500(5) . ?
C7 H7 1.0000 . ?
C8 C10 1.500(4) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.389(5) . ?
C10 C15 1.400(5) . ?
C11 C12 1.380(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.378(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.381(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.389(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C18 1.496(5) . ?
C16 C17 1.499(5) . ?
C16 C19 1.527(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 O2 1.418(4) . ?
C18 C19 1.445(6) . ?
C18 H18 1.0000 . ?
C19 C21 1.502(6) . ?
C19 H19 1.0000 . ?
O2 C20 1.461(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.375(6) . ?
C21 C22 1.382(6) . ?
C22 C23 1.367(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.359(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.368(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.398(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.405(4) . ?
C27 C32 1.423(4) . ?
C28 C29 1.389(4) . ?
C28 C45 1.506(4) . ?
C29 C30 1.382(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.382(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.402(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.489(4) . ?
C33 C38 1.360(4) . ?
C33 C34 1.539(4) . ?
C34 C39 1.568(4) . ?
C34 C35 1.568(4) . ?
C35 C36 1.480(4) . ?
C35 H35 1.0000 . ?
C36 C37 1.327(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.467(5) . ?
C37 H37 0.9500 . ?
C38 C42 1.522(4) . ?
C39 C40 1.522(5) . ?
C39 C41 1.524(5) . ?
C39 H39 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C44 1.537(5) . ?
C42 C43 1.543(5) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.409(4) . ?
C45 C50 1.414(4) . ?
C46 C47 1.398(4) . ?
C46 C51 1.520(4) . ?
C47 C48 1.388(5) . ?
C47 H47 0.9500 . ?
C48 C49 1.374(5) . ?
C48 H48 0.9500 . ?
C49 C50 1.402(5) . ?
C49 H49 0.9500 . ?
C50 C54 1.521(5) . ?
C51 C52 1.531(5) . ?
C51 C53 1.539(5) . ?
C51 H51 1.0000 . ?
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 C56 1.522(5) . ?
C54 C55 1.535(5) . ?
C54 H54 1.0000 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C62 1.419(5) . ?
C57 C58 1.425(5) . ?
C58 C59 1.403(4) . ?
C58 C63 1.522(5) . ?
C59 C60 1.381(5) . ?
C59 H59 0.9500 . ?
C60 C61 1.372(5) . ?
C60 H60 0.9500 . ?
C61 C62 1.397(4) . ?
C61 H61 0.9500 . ?
C62 C75 1.512(5) . ?
C63 C64 1.395(5) . ?
C63 C68 1.414(5) . ?
C64 C65 1.399(5) . ?
C64 C69 1.517(5) . ?
C65 C66 1.381(5) . ?
C65 H65 0.9500 . ?
C66 C67 1.364(6) . ?
C66 H66 0.9500 . ?
C67 C68 1.404(5) . ?
C67 H67 0.9500 . ?
C68 C72 1.526(5) . ?
C69 C70 1.524(5) . ?
C69 C71 1.528(5) . ?
C69 H69 1.0000 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 C74 1.525(5) . ?
C72 C73 1.525(5) . ?
C72 H72 1.0000 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.407(5) . ?
C75 C80 1.418(5) . ?
C76 C77 1.401(5) . ?
C76 C81 1.521(5) . ?
C77 C78 1.373(6) . ?
C77 H77 0.9500 . ?
C78 C79 1.373(6) . ?
C78 H78 0.9500 . ?
C79 C80 1.392(5) . ?
C79 H79 0.9500 . ?
C80 C84 1.514(5) . ?
C81 C83 1.526(5) . ?
C81 C82 1.533(5) . ?
C81 H81 1.0000 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C86 1.533(5) . ?
C84 C85 1.539(5) . ?
C84 H84 1.0000 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C1S C2S 1.489(8) . ?
C1S H1S1 0.9800 . ?
C1S H1S2 0.9800 . ?
C1S H1S3 0.9800 . ?
C2S C3S 1.459(7) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
C3S C3S 1.497(13) 2_666 ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
C4S C5S 1.559(9) . ?
C4S H4S1 0.9800 . ?
C4S H4S2 0.9800 . ?
C4S H4S3 0.9800 . ?
C5S C6S 1.487(9) . ?
C5S H5S1 0.9900 . ?
C5S H5S2 0.9900 . ?
C6S C7S 1.412(9) . ?
C6S H6S1 0.9900 . ?
C6S H6S2 0.9900 . ?
C7S C8S 1.472(10) . ?
C7S H7S1 0.9900 . ?
C7S H7S2 0.9900 . ?
C8S C9S 1.469(10) . ?
C8S H8S1 0.9900 . ?
C8S H8S2 0.9900 . ?
C9S H9S1 0.9800 . ?
C9S H9S2 0.9800 . ?
C9S H9S3 0.9800 . ?

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
C4 Ge1 C1 105.66(13) . . ?
C4 Ge1 C57 108.00(13) . . ?
C1 Ge1 C57 114.80(13) . . ?
C4 Ge1 C35 100.35(13) . . ?
C1 Ge1 C35 101.99(13) . . ?
C57 Ge1 C35 123.94(13) . . ?
C2 Ge2 C3 106.05(13) . . ?
C2 Ge2 C27 104.70(12) . . ?
C3 Ge2 C27 141.06(12) . . ?
C2 Ge2 C34 101.36(13) . . ?
C3 Ge2 C34 105.79(13) . . ?
C27 Ge2 C34 90.83(12) . . ?
C7 O1 C9 111.1(3) . . ?
C2 C1 C5 123.4(3) . . ?
C2 C1 Ge1 108.8(2) . . ?
C5 C1 Ge1 127.4(2) . . ?
C1 C2 Ge2 123.6(2) . . ?
C1 C2 H2 118.2 . . ?
Ge2 C2 H2 118.2 . . ?
C4 C3 C16 124.0(3) . . ?
C4 C3 Ge2 107.0(2) . . ?
C16 C3 Ge2 129.0(2) . . ?
C3 C4 Ge1 125.8(2) . . ?
C3 C4 H4 117.1 . . ?
Ge1 C4 H4 117.1 . . ?
C1 C5 C7 114.2(3) . . ?
C1 C5 C6 118.6(3) . . ?
C7 C5 C6 118.0(3) . . ?
C1 C5 C8 116.5(3) . . ?
C7 C5 C8 58.5(2) . . ?
C6 C5 C8 117.1(3) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O1 C7 C8 121.0(3) . . ?
O1 C7 C5 119.0(3) . . ?
C8 C7 C5 62.0(2) . . ?
O1 C7 H7 114.9 . . ?
C8 C7 H7 114.9 . . ?
C5 C7 H7 114.9 . . ?
C10 C8 C7 125.2(3) . . ?
C10 C8 C5 123.8(3) . . ?
C7 C8 C5 59.5(2) . . ?
C10 C8 H8 112.8 . . ?
C7 C8 H8 112.8 . . ?
C5 C8 H8 112.8 . . ?
O1 C9 H9A 109.5 . . ?
O1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 117.4(3) . . ?
C11 C10 C8 117.7(3) . . ?
C15 C10 C8 124.9(3) . . ?
C12 C11 C10 122.1(4) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C13 C12 C11 119.8(4) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 119.6(4) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C15 120.5(4) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C10 120.6(4) . . ?
C14 C15 H15 119.7 . . ?
C10 C15 H15 119.7 . . ?
C3 C16 C18 119.2(3) . . ?
C3 C16 C17 116.2(3) . . ?
C18 C16 C17 118.7(3) . . ?
C3 C16 C19 115.9(3) . . ?
C18 C16 C19 57.1(3) . . ?
C17 C16 C19 116.4(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O2 C18 C19 119.3(3) . . ?
O2 C18 C16 118.1(3) . . ?
C19 C18 C16 62.5(2) . . ?
O2 C18 H18 115.5 . . ?
C19 C18 H18 115.5 . . ?
C16 C18 H18 115.5 . . ?
C18 C19 C21 127.1(3) . . ?
C18 C19 C16 60.4(2) . . ?
C21 C19 C16 119.0(3) . . ?
C18 C19 H19 113.3 . . ?
C21 C19 H19 113.3 . . ?
C16 C19 H19 113.3 . . ?
C18 O2 C20 113.5(3) . . ?
O2 C20 H20A 109.5 . . ?
O2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 116.5(4) . . ?
C26 C21 C19 123.0(4) . . ?
C22 C21 C19 120.4(4) . . ?
C23 C22 C21 121.3(4) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C24 C23 C22 122.4(5) . . ?
C24 C23 H23 118.8 . . ?
C22 C23 H23 118.8 . . ?
C23 C24 C25 116.2(4) . . ?
C23 C24 H24 121.9 . . ?
C25 C24 H24 121.9 . . ?
C24 C25 C26 121.8(5) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C21 C26 C25 120.8(5) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C32 119.9(3) . . ?
C28 C27 Ge2 136.1(2) . . ?
C32 C27 Ge2 103.7(2) . . ?
C29 C28 C27 119.0(3) . . ?
C29 C28 C45 117.1(3) . . ?
C27 C28 C45 123.8(3) . . ?
C30 C29 C28 121.2(3) . . ?
C30 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?
C29 C30 C31 120.4(3) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C30 C31 C32 120.3(3) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C27 118.8(3) . . ?
C31 C32 C33 123.4(3) . . ?
C27 C32 C33 117.7(3) . . ?
C38 C33 C32 125.7(3) . . ?
C38 C33 C34 122.1(3) . . ?
C32 C33 C34 112.0(2) . . ?
C33 C34 C39 107.9(2) . . ?
C33 C34 C35 115.6(2) . . ?
C39 C34 C35 111.4(3) . . ?
C33 C34 Ge2 95.8(2) . . ?
C39 C34 Ge2 112.5(2) . . ?
C35 C34 Ge2 112.6(2) . . ?
C36 C35 C34 112.1(3) . . ?
C36 C35 Ge1 115.9(2) . . ?
C34 C35 Ge1 111.0(2) . . ?
C36 C35 H35 105.6 . . ?
C34 C35 H35 105.6 . . ?
Ge1 C35 H35 105.6 . . ?
C37 C36 C35 124.2(3) . . ?
C37 C36 H36 117.9 . . ?
C35 C36 H36 117.9 . . ?
C36 C37 C38 123.4(3) . . ?
C36 C37 H37 118.3 . . ?
C38 C37 H37 118.3 . . ?
C33 C38 C37 118.0(3) . . ?
C33 C38 C42 126.1(3) . . ?
C37 C38 C42 115.9(3) . . ?
C40 C39 C41 109.2(3) . . ?
C40 C39 C34 115.6(3) . . ?
C41 C39 C34 111.8(3) . . ?
C40 C39 H39 106.5 . . ?
C41 C39 H39 106.5 . . ?
C34 C39 H39 106.5 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C42 C44 111.7(3) . . ?
C38 C42 C43 110.9(3) . . ?
C44 C42 C43 109.0(3) . . ?
C38 C42 H42 108.3 . . ?
C44 C42 H42 108.3 . . ?
C43 C42 H42 108.3 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C50 120.4(3) . . ?
C46 C45 C28 121.4(3) . . ?
C50 C45 C28 118.1(3) . . ?
C47 C46 C45 118.8(3) . . ?
C47 C46 C51 120.0(3) . . ?
C45 C46 C51 121.0(3) . . ?
C48 C47 C46 120.8(3) . . ?
C48 C47 H47 119.6 . . ?
C46 C47 H47 119.6 . . ?
C49 C48 C47 120.1(3) . . ?
C49 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C48 C49 C50 121.4(3) . . ?
C48 C49 H49 119.3 . . ?
C50 C49 H49 119.3 . . ?
C49 C50 C45 118.4(3) . . ?
C49 C50 C54 118.7(3) . . ?
C45 C50 C54 122.9(3) . . ?
C46 C51 C52 114.2(3) . . ?
C46 C51 C53 109.1(3) . . ?
C52 C51 C53 109.9(3) . . ?
C46 C51 H51 107.8 . . ?
C52 C51 H51 107.8 . . ?
C53 C51 H51 107.8 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C50 C54 C56 110.7(3) . . ?
C50 C54 C55 112.2(3) . . ?
C56 C54 C55 109.5(3) . . ?
C50 C54 H54 108.1 . . ?
C56 C54 H54 108.1 . . ?
C55 C54 H54 108.1 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C62 C57 C58 117.1(3) . . ?
C62 C57 Ge1 123.3(2) . . ?
C58 C57 Ge1 119.1(2) . . ?
C59 C58 C57 119.6(3) . . ?
C59 C58 C63 112.7(3) . . ?
C57 C58 C63 127.0(3) . . ?
C60 C59 C58 121.6(3) . . ?
C60 C59 H59 119.2 . . ?
C58 C59 H59 119.2 . . ?
C61 C60 C59 118.8(3) . . ?
C61 C60 H60 120.6 . . ?
C59 C60 H60 120.6 . . ?
C60 C61 C62 121.7(3) . . ?
C60 C61 H61 119.1 . . ?
C62 C61 H61 119.1 . . ?
C61 C62 C57 120.3(3) . . ?
C61 C62 C75 114.0(3) . . ?
C57 C62 C75 125.4(3) . . ?
C64 C63 C68 120.2(3) . . ?
C64 C63 C58 123.5(3) . . ?
C68 C63 C58 115.8(3) . . ?
C63 C64 C65 119.1(3) . . ?
C63 C64 C69 122.4(3) . . ?
C65 C64 C69 118.4(3) . . ?
C66 C65 C64 121.2(4) . . ?
C66 C65 H65 119.4 . . ?
C64 C65 H65 119.4 . . ?
C67 C66 C65 119.5(4) . . ?
C67 C66 H66 120.3 . . ?
C65 C66 H66 120.3 . . ?
C66 C67 C68 122.0(3) . . ?
C66 C67 H67 119.0 . . ?
C68 C67 H67 119.0 . . ?
C67 C68 C63 118.0(3) . . ?
C67 C68 C72 118.8(3) . . ?
C63 C68 C72 123.2(3) . . ?
C64 C69 C70 111.9(3) . . ?
C64 C69 C71 111.8(3) . . ?
C70 C69 C71 111.4(3) . . ?
C64 C69 H69 107.1 . . ?
C70 C69 H69 107.1 . . ?
C71 C69 H69 107.1 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C74 C72 C73 110.4(3) . . ?
C74 C72 C68 110.6(3) . . ?
C73 C72 C68 111.0(3) . . ?
C74 C72 H72 108.2 . . ?
C73 C72 H72 108.2 . . ?
C68 C72 H72 108.2 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C76 C75 C80 120.1(3) . . ?
C76 C75 C62 121.1(3) . . ?
C80 C75 C62 118.3(3) . . ?
C77 C76 C75 118.7(3) . . ?
C77 C76 C81 117.2(3) . . ?
C75 C76 C81 124.1(3) . . ?
C78 C77 C76 121.4(4) . . ?
C78 C77 H77 119.3 . . ?
C76 C77 H77 119.3 . . ?
C77 C78 C79 119.6(4) . . ?
C77 C78 H78 120.2 . . ?
C79 C78 H78 120.2 . . ?
C78 C79 C80 122.0(4) . . ?
C78 C79 H79 119.0 . . ?
C80 C79 H79 119.0 . . ?
C79 C80 C75 118.2(4) . . ?
C79 C80 C84 119.4(3) . . ?
C75 C80 C84 122.2(3) . . ?
C76 C81 C83 112.4(3) . . ?
C76 C81 C82 111.1(3) . . ?
C83 C81 C82 110.5(3) . . ?
C76 C81 H81 107.5 . . ?
C83 C81 H81 107.5 . . ?
C82 C81 H81 107.5 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C81 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C81 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C80 C84 C86 109.6(3) . . ?
C80 C84 C85 114.6(3) . . ?
C86 C84 C85 110.0(3) . . ?
C80 C84 H84 107.5 . . ?
C86 C84 H84 107.5 . . ?
C85 C84 H84 107.5 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 C86 H86A 109.5 . . ?
C84 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C84 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
C3S C2S C1S 118.4(7) . . ?
C3S C2S H2S1 107.7 . . ?
C1S C2S H2S1 107.7 . . ?
C3S C2S H2S2 107.7 . . ?
C1S C2S H2S2 107.7 . . ?
H2S1 C2S H2S2 107.1 . . ?
C2S C3S C3S 119.4(8) . 2_666 ?
C2S C3S H3S1 107.5 . . ?
C3S C3S H3S1 107.5 2_666 . ?
C2S C3S H3S2 107.5 . . ?
C3S C3S H3S2 107.5 2_666 . ?
H3S1 C3S H3S2 107.0 . . ?
C5S C4S H4S1 109.5 . . ?
C5S C4S H4S2 109.5 . . ?
H4S1 C4S H4S2 109.5 . . ?
C5S C4S H4S3 109.5 . . ?
H4S1 C4S H4S3 109.5 . . ?
H4S2 C4S H4S3 109.5 . . ?
C6S C5S C4S 113.5(11) . . ?
C6S C5S H5S1 108.9 . . ?
C4S C5S H5S1 108.9 . . ?
C6S C5S H5S2 108.9 . . ?
C4S C5S H5S2 108.9 . . ?
H5S1 C5S H5S2 107.7 . . ?
C7S C6S C5S 122.9(12) . . ?
C7S C6S H6S1 106.6 . . ?
C5S C6S H6S1 106.6 . . ?
C7S C6S H6S2 106.6 . . ?
C5S C6S H6S2 106.6 . . ?
H6S1 C6S H6S2 106.6 . . ?
C6S C7S C8S 111.2(12) . . ?
C6S C7S H7S1 109.4 . . ?
C8S C7S H7S1 109.4 . . ?
C6S C7S H7S2 109.4 . . ?
C8S C7S H7S2 109.4 . . ?
H7S1 C7S H7S2 108.0 . . ?
C9S C8S C7S 126.5(15) . . ?
C9S C8S H8S1 105.7 . . ?
C7S C8S H8S1 105.7 . . ?
C9S C8S H8S2 105.7 . . ?
C7S C8S H8S2 105.7 . . ?
H8S1 C8S H8S2 106.1 . . ?
C8S C9S H9S1 109.5 . . ?
C8S C9S H9S2 109.5 . . ?
H9S1 C9S H9S2 109.5 . . ?
C8S C9S H9S3 109.5 . . ?
H9S1 C9S H9S3 109.5 . . ?
H9S2 C9S H9S3 109.5 . . ?

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
C5 C1 C2 Ge2 -167.5(2) . . . . ?
Ge1 C1 C2 Ge2 5.4(3) . . . . ?
C16 C3 C4 Ge1 -177.9(2) . . . . ?
Ge2 C3 C4 Ge1 -1.1(3) . . . . ?
C2 C1 C5 C7 38.8(4) . . . . ?
Ge1 C1 C5 C7 -132.7(3) . . . . ?
C2 C1 C5 C6 -174.9(3) . . . . ?
Ge1 C1 C5 C6 13.5(4) . . . . ?
C2 C1 C5 C8 -26.6(4) . . . . ?
Ge1 C1 C5 C8 161.9(2) . . . . ?
C9 O1 C7 C8 84.3(4) . . . . ?
C9 O1 C7 C5 157.3(3) . . . . ?
C1 C5 C7 O1 140.8(3) . . . . ?
C6 C5 C7 O1 -5.6(4) . . . . ?
C8 C5 C7 O1 -111.9(3) . . . . ?
C1 C5 C7 C8 -107.3(3) . . . . ?
C6 C5 C7 C8 106.2(3) . . . . ?
O1 C7 C8 C10 -3.2(5) . . . . ?
C5 C7 C8 C10 -112.0(3) . . . . ?
O1 C7 C8 C5 108.8(3) . . . . ?
C1 C5 C8 C10 -142.4(3) . . . . ?
C7 C5 C8 C10 114.2(4) . . . . ?
C6 C5 C8 C10 6.5(4) . . . . ?
C1 C5 C8 C7 103.4(3) . . . . ?
C6 C5 C8 C7 -107.7(3) . . . . ?
C7 C8 C10 C11 -157.6(3) . . . . ?
C5 C8 C10 C11 128.4(3) . . . . ?
C7 C8 C10 C15 19.4(5) . . . . ?
C5 C8 C10 C15 -54.6(5) . . . . ?
C15 C10 C11 C12 -0.5(5) . . . . ?
C8 C10 C11 C12 176.8(3) . . . . ?
C10 C11 C12 C13 -0.4(5) . . . . ?
C11 C12 C13 C14 1.1(6) . . . . ?
C12 C13 C14 C15 -0.9(6) . . . . ?
C13 C14 C15 C10 0.0(6) . . . . ?
C11 C10 C15 C14 0.7(5) . . . . ?
C8 C10 C15 C14 -176.3(3) . . . . ?
C4 C3 C16 C18 160.1(3) . . . . ?
Ge2 C3 C16 C18 -15.9(5) . . . . ?
C4 C3 C16 C17 7.4(5) . . . . ?
Ge2 C3 C16 C17 -168.7(3) . . . . ?
C4 C3 C16 C19 -134.8(3) . . . . ?
Ge2 C3 C16 C19 49.2(4) . . . . ?
C3 C16 C18 O2 -146.1(3) . . . . ?
C17 C16 C18 O2 5.9(5) . . . . ?
C19 C16 C18 O2 110.3(4) . . . . ?
C3 C16 C18 C19 103.5(3) . . . . ?
C17 C16 C18 C19 -104.4(4) . . . . ?
O2 C18 C19 C21 -2.9(6) . . . . ?
C16 C18 C19 C21 105.6(4) . . . . ?
O2 C18 C19 C16 -108.5(4) . . . . ?
C3 C16 C19 C18 -109.4(3) . . . . ?
C17 C16 C19 C18 108.5(4) . . . . ?
C3 C16 C19 C21 132.1(3) . . . . ?
C18 C16 C19 C21 -118.5(4) . . . . ?
C17 C16 C19 C21 -10.0(5) . . . . ?
C19 C18 O2 C20 150.2(4) . . . . ?
C16 C18 O2 C20 77.7(4) . . . . ?
C18 C19 C21 C26 30.9(7) . . . . ?
C16 C19 C21 C26 104.0(5) . . . . ?
C18 C19 C21 C22 -150.1(5) . . . . ?
C16 C19 C21 C22 -77.0(6) . . . . ?
C26 C21 C22 C23 4.3(9) . . . . ?
C19 C21 C22 C23 -174.7(5) . . . . ?
C21 C22 C23 C24 -11.6(10) . . . . ?
C22 C23 C24 C25 12.3(10) . . . . ?
C23 C24 C25 C26 -6.7(11) . . . . ?
C22 C21 C26 C25 1.1(9) . . . . ?
C19 C21 C26 C25 -179.9(6) . . . . ?
C24 C25 C26 C21 0.2(11) . . . . ?
C32 C27 C28 C29 1.8(4) . . . . ?
Ge2 C27 C28 C29 -171.3(2) . . . . ?
C32 C27 C28 C45 -173.9(3) . . . . ?
Ge2 C27 C28 C45 13.0(5) . . . . ?
C27 C28 C29 C30 -4.9(5) . . . . ?
C45 C28 C29 C30 171.1(3) . . . . ?
C28 C29 C30 C31 2.7(5) . . . . ?
C29 C30 C31 C32 2.7(5) . . . . ?
C30 C31 C32 C27 -5.7(4) . . . . ?
C30 C31 C32 C33 175.4(3) . . . . ?
C28 C27 C32 C31 3.4(4) . . . . ?
Ge2 C27 C32 C31 178.5(2) . . . . ?
C28 C27 C32 C33 -177.6(3) . . . . ?
Ge2 C27 C32 C33 -2.5(3) . . . . ?
C31 C32 C33 C38 -36.7(5) . . . . ?
C27 C32 C33 C38 144.3(3) . . . . ?
C31 C32 C33 C34 148.2(3) . . . . ?
C27 C32 C33 C34 -30.7(4) . . . . ?
C38 C33 C34 C39 112.6(3) . . . . ?
C32 C33 C34 C39 -72.2(3) . . . . ?
C38 C33 C34 C35 -12.9(4) . . . . ?
C32 C33 C34 C35 162.3(3) . . . . ?
C38 C33 C34 Ge2 -131.5(3) . . . . ?
C32 C33 C34 Ge2 43.7(3) . . . . ?
C33 C34 C35 C36 23.3(4) . . . . ?
C39 C34 C35 C36 -100.4(3) . . . . ?
Ge2 C34 C35 C36 132.1(2) . . . . ?
C33 C34 C35 Ge1 -108.1(3) . . . . ?
C39 C34 C35 Ge1 128.2(2) . . . . ?
Ge2 C34 C35 Ge1 0.7(3) . . . . ?
C34 C35 C36 C37 -18.9(5) . . . . ?
Ge1 C35 C36 C37 110.0(3) . . . . ?
C35 C36 C37 C38 1.7(5) . . . . ?
C32 C33 C38 C37 -179.1(3) . . . . ?
C34 C33 C38 C37 -4.6(5) . . . . ?
C32 C33 C38 C42 0.9(5) . . . . ?
C34 C33 C38 C42 175.5(3) . . . . ?
C36 C37 C38 C33 11.4(5) . . . . ?
C36 C37 C38 C42 -168.6(3) . . . . ?
C33 C34 C39 C40 168.4(3) . . . . ?
C35 C34 C39 C40 -63.7(4) . . . . ?
Ge2 C34 C39 C40 63.9(3) . . . . ?
C33 C34 C39 C41 -65.8(3) . . . . ?
C35 C34 C39 C41 62.2(3) . . . . ?
Ge2 C34 C39 C41 -170.2(2) . . . . ?
C33 C38 C42 C44 -134.5(3) . . . . ?
C37 C38 C42 C44 45.6(4) . . . . ?
C33 C38 C42 C43 103.6(4) . . . . ?
C37 C38 C42 C43 -76.3(4) . . . . ?
C29 C28 C45 C46 107.5(3) . . . . ?
C27 C28 C45 C46 -76.7(4) . . . . ?
C29 C28 C45 C50 -68.6(4) . . . . ?
C27 C28 C45 C50 107.1(3) . . . . ?
C50 C45 C46 C47 -2.5(4) . . . . ?
C28 C45 C46 C47 -178.5(3) . . . . ?
C50 C45 C46 C51 172.9(3) . . . . ?
C28 C45 C46 C51 -3.2(4) . . . . ?
C45 C46 C47 C48 0.7(5) . . . . ?
C51 C46 C47 C48 -174.7(3) . . . . ?
C46 C47 C48 C49 1.6(5) . . . . ?
C47 C48 C49 C50 -2.1(5) . . . . ?
C48 C49 C50 C45 0.3(5) . . . . ?
C48 C49 C50 C54 177.9(3) . . . . ?
C46 C45 C50 C49 2.1(4) . . . . ?
C28 C45 C50 C49 178.2(3) . . . . ?
C46 C45 C50 C54 -175.5(3) . . . . ?
C28 C45 C50 C54 0.7(4) . . . . ?
C47 C46 C51 C52 -36.3(4) . . . . ?
C45 C46 C51 C52 148.4(3) . . . . ?
C47 C46 C51 C53 87.1(4) . . . . ?
C45 C46 C51 C53 -88.2(4) . . . . ?
C49 C50 C54 C56 -70.8(4) . . . . ?
C45 C50 C54 C56 106.7(3) . . . . ?
C49 C50 C54 C55 51.8(4) . . . . ?
C45 C50 C54 C55 -130.7(3) . . . . ?
C62 C57 C58 C59 -10.8(5) . . . . ?
Ge1 C57 C58 C59 160.9(3) . . . . ?
C62 C57 C58 C63 159.3(3) . . . . ?
Ge1 C57 C58 C63 -29.0(4) . . . . ?
C57 C58 C59 C60 5.0(5) . . . . ?
C63 C58 C59 C60 -166.4(3) . . . . ?
C58 C59 C60 C61 3.0(6) . . . . ?
C59 C60 C61 C62 -5.0(6) . . . . ?
C60 C61 C62 C57 -1.2(5) . . . . ?
C60 C61 C62 C75 173.2(3) . . . . ?
C58 C57 C62 C61 9.0(5) . . . . ?
Ge1 C57 C62 C61 -162.4(3) . . . . ?
C58 C57 C62 C75 -164.7(3) . . . . ?
Ge1 C57 C62 C75 23.9(5) . . . . ?
C59 C58 C63 C64 -91.7(4) . . . . ?
C57 C58 C63 C64 97.7(4) . . . . ?
C59 C58 C63 C68 79.7(4) . . . . ?
C57 C58 C63 C68 -90.9(4) . . . . ?
C68 C63 C64 C65 -0.9(5) . . . . ?
C58 C63 C64 C65 170.1(3) . . . . ?
C68 C63 C64 C69 -179.6(3) . . . . ?
C58 C63 C64 C69 -8.6(5) . . . . ?
C63 C64 C65 C66 0.9(5) . . . . ?
C69 C64 C65 C66 179.7(3) . . . . ?
C64 C65 C66 C67 -0.5(5) . . . . ?
C65 C66 C67 C68 0.0(5) . . . . ?
C66 C67 C68 C63 0.0(5) . . . . ?
C66 C67 C68 C72 -179.5(3) . . . . ?
C64 C63 C68 C67 0.5(5) . . . . ?
C58 C63 C68 C67 -171.2(3) . . . . ?
C64 C63 C68 C72 179.9(3) . . . . ?
C58 C63 C68 C72 8.2(5) . . . . ?
C63 C64 C69 C70 -136.8(3) . . . . ?
C65 C64 C69 C70 44.4(4) . . . . ?
C63 C64 C69 C71 97.4(4) . . . . ?
C65 C64 C69 C71 -81.4(4) . . . . ?
C67 C68 C72 C74 63.9(4) . . . . ?
C63 C68 C72 C74 -115.5(4) . . . . ?
C67 C68 C72 C73 -59.0(4) . . . . ?
C63 C68 C72 C73 121.5(4) . . . . ?
C61 C62 C75 C76 65.7(4) . . . . ?
C57 C62 C75 C76 -120.2(4) . . . . ?
C61 C62 C75 C80 -106.1(4) . . . . ?
C57 C62 C75 C80 68.0(4) . . . . ?
C80 C75 C76 C77 -1.0(5) . . . . ?
C62 C75 C76 C77 -172.7(3) . . . . ?
C80 C75 C76 C81 180.0(3) . . . . ?
C62 C75 C76 C81 8.3(5) . . . . ?
C75 C76 C77 C78 0.7(5) . . . . ?
C81 C76 C77 C78 179.9(3) . . . . ?
C76 C77 C78 C79 -0.5(6) . . . . ?
C77 C78 C79 C80 0.5(6) . . . . ?
C78 C79 C80 C75 -0.7(6) . . . . ?
C78 C79 C80 C84 173.7(4) . . . . ?
C76 C75 C80 C79 1.0(5) . . . . ?
C62 C75 C80 C79 172.9(3) . . . . ?
C76 C75 C80 C84 -173.2(3) . . . . ?
C62 C75 C80 C84 -1.3(5) . . . . ?
C77 C76 C81 C83 57.5(4) . . . . ?
C75 C76 C81 C83 -123.5(4) . . . . ?
C77 C76 C81 C82 -66.9(4) . . . . ?
C75 C76 C81 C82 112.2(4) . . . . ?
C79 C80 C84 C86 -91.6(4) . . . . ?
C75 C80 C84 C86 82.5(4) . . . . ?
C79 C80 C84 C85 32.6(5) . . . . ?
C75 C80 C84 C85 -153.3(4) . . . . ?
C1S C2S C3S C3S -179.6(7) . . . 2_666 ?
C4S C5S C6S C7S 164.8(13) . . . . ?
C5S C6S C7S C8S 178.7(12) . . . . ?
C6S C7S C8S C9S 84(2) . . . . ?

_refine_diff_density_max         1.696
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.079


_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'
