# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_10a
_audit_block_doi                 10.5517/ccdc.csd.cc1q4jx9
_database_code_depnum_ccdc_archive 'CCDC 1583291'
_audit_update_record             
;
2017-11-01 deposited with the CCDC.
2017-12-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C68 H136 Ge2 Si14, C6 H6'
_chemical_formula_sum            'C74 H142 Ge2 Si14'
_chemical_formula_weight         1570.31

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'
Si Si 0.0817 0.0704 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.4049(2)
_cell_length_b                   33.9920(9)
_cell_length_c                   20.3454(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.9033(6)
_cell_angle_gamma                90
_cell_volume                     9265.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    14207
_cell_measurement_theta_min      1.16
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_F_000             3384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.865
_shelx_estimated_absorpt_T_min   0.918
_shelx_estimated_absorpt_T_max   0.966
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.949
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_process_details   
;
 MULABS - Empirical Correction for Absorption Anisotropy.
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;


_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku VariMax Mo'
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.5719
_diffrn_reflns_number            93887
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_av_R_equivalents  0.1034
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.167
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             17250
_reflns_number_gt                13192
_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.
 
 _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       CrystalClear
_computing_cell_refinement       HKL2000
_computing_data_reduction        HKL2000
_computing_structure_solution    SIR2004
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    
;
Yadokari-XG 2011 (Wakita Nemoto et al., 2011)
;
_computing_publication_material  
;
Yadokari-XG 2011 (Wakita,Nemoto et al., 2011)
;

_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)+(0.0539P)²+50.2335P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17250
_refine_ls_number_parameters     900
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0809
_refine_ls_wR_factor_ref         0.2073
_refine_ls_wR_factor_gt          0.1926
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_restrained_S_all      1.156
_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 0.09923(12) 0.13111(4) 0.63936(6) 0.0256(5) Uani 0.866(14) 1 d . . P A 1
Ge2 Ge 0.20455(14) 0.07902(7) 0.68283(10) 0.0248(5) Uani 0.866(14) 1 d . . P A
1
Ge3 Ge 0.145(4) 0.1347(3) 0.6242(14) 0.087(10) Uani 0.134(14) 1 d . . P A 2
Ge4 Ge 0.188(2) 0.0829(6) 0.7009(18) 0.068(6) Uani 0.134(14) 1 d . . P A 2
C1 C 0.1929(5) 0.15966(18) 0.7045(3) 0.0344(14) Uani 1 1 d . . . . .
H138 H 0.2468 0.1737 0.6811 0.041 Uiso 0.866(14) 1 calc R U P A 1
H139 H 0.2528 0.1750 0.6915 0.041 Uiso 0.134(14) 1 calc R U P A 2
C2 C 0.2354(5) 0.12431(19) 0.7435(3) 0.0366(14) Uani 1 1 d . . . . .
H140 H 0.2020 0.1212 0.7859 0.044 Uiso 0.866(14) 1 calc R U P A 1
H141 H 0.3082 0.1271 0.7521 0.044 Uiso 0.866(14) 1 calc R U P A 1
H142 H 0.2128 0.1247 0.7893 0.044 Uiso 0.134(14) 1 calc R U P A 2
H143 H 0.3093 0.1245 0.7442 0.044 Uiso 0.134(14) 1 calc R U P A 2
C3 C 0.1328(5) 0.1881(2) 0.7447(3) 0.0395(15) Uani 1 1 d . . . . .
C4 C 0.1355(5) 0.2280(2) 0.7335(4) 0.0514(19) Uani 1 1 d . . . . .
H3 H 0.1765 0.2373 0.6996 0.062 Uiso 1 1 calc R U . . .
C5 C 0.0824(7) 0.2553(3) 0.7684(5) 0.074(3) Uani 1 1 d . . . . .
H4 H 0.0878 0.2826 0.7596 0.088 Uiso 1 1 calc R U . . .
C6 C 0.0209(7) 0.2415(3) 0.8169(5) 0.078(3) Uani 1 1 d . . . . .
H5 H -0.0164 0.2596 0.8416 0.094 Uiso 1 1 calc R U . . .
C7 C 0.0133(8) 0.2019(4) 0.8295(5) 0.091(3) Uani 1 1 d . . . . .
H6 H -0.0293 0.1930 0.8628 0.110 Uiso 1 1 calc R U . . .
C8 C 0.0686(6) 0.1742(3) 0.7933(4) 0.066(2) Uani 1 1 d . . . . .
H7 H 0.0626 0.1469 0.8016 0.080 Uiso 1 1 calc R U . . .
C9 C 0.0829(4) 0.16080(18) 0.5546(3) 0.0320(13) Uani 1 1 d . . . . .
C10 C 0.1657(4) 0.17127(17) 0.5175(3) 0.0317(13) Uani 1 1 d . . . . .
C11 C 0.1514(5) 0.19694(17) 0.4644(3) 0.0329(14) Uani 1 1 d . . . . .
H8 H 0.2076 0.2042 0.4400 0.039 Uiso 1 1 calc R U . . .
C12 C 0.0567(4) 0.21264(17) 0.4454(3) 0.0322(13) Uani 1 1 d . . . . .
C13 C -0.0217(4) 0.19968(18) 0.4811(3) 0.0334(14) Uani 1 1 d . . . . .
H9 H -0.0867 0.2084 0.4679 0.040 Uiso 1 1 calc R U . . .
C14 C -0.0131(4) 0.17451(18) 0.5357(3) 0.0321(13) Uani 1 1 d . . . . .
C15 C 0.2041(4) 0.02900(17) 0.7324(3) 0.0297(13) Uani 1 1 d . . . . .
C16 C 0.1174(4) 0.01260(17) 0.7585(3) 0.0305(13) Uani 1 1 d . . . . .
C17 C 0.1266(4) -0.01889(18) 0.8019(3) 0.0313(13) Uani 1 1 d . . . . .
H10 H 0.0675 -0.0294 0.8195 0.038 Uiso 1 1 calc R U . . .
C18 C 0.2176(4) -0.03589(17) 0.8210(3) 0.0286(13) Uani 1 1 d . . . . .
C19 C 0.3016(4) -0.02028(17) 0.7907(3) 0.0311(13) Uani 1 1 d . . . . .
H11 H 0.3648 -0.0319 0.8006 0.037 Uiso 1 1 calc R U . . .
C20 C 0.2970(4) 0.01138(17) 0.7467(3) 0.0266(12) Uani 1 1 d . . . . .
C21 C -0.1033(4) 0.16292(18) 0.5727(3) 0.0353(14) Uani 1 1 d . . . . .
H12 H -0.0747 0.1482 0.6115 0.042 Uiso 1 1 calc R U . . .
C22 C 0.2691(4) 0.15500(18) 0.5325(3) 0.0326(13) Uani 1 1 d . . . . .
H13 H 0.2614 0.1420 0.5762 0.039 Uiso 1 1 calc R U . . .
C23 C 0.0478(5) 0.24155(18) 0.3857(3) 0.0367(15) Uani 1 1 d . . . . .
Si1 Si -0.17498(15) 0.20505(6) 0.61152(11) 0.0497(5) Uani 1 1 d . . . . .
C24 C -0.0876(6) 0.2476(2) 0.6266(4) 0.061(2) Uani 1 1 d . . . . .
C25 C -0.2863(6) 0.2214(3) 0.5607(6) 0.079(3) Uani 1 1 d . . . . .
H18 H -0.3341 0.1997 0.5563 0.119 Uiso 1 1 calc R U . . .
H19 H -0.2652 0.2294 0.5171 0.119 Uiso 1 1 calc R U . . .
H20 H -0.3180 0.2438 0.5822 0.119 Uiso 1 1 calc R U . . .
C26 C -0.2191(8) 0.1871(3) 0.6913(5) 0.078(3) Uani 1 1 d . . . . .
H21 H -0.1624 0.1849 0.7227 0.117 Uiso 1 1 calc R U . . .
H22 H -0.2502 0.1612 0.6852 0.117 Uiso 1 1 calc R U . . .
H23 H -0.2682 0.2055 0.7082 0.117 Uiso 1 1 calc R U . . .
Si2 Si -0.18360(15) 0.12490(6) 0.52810(10) 0.0459(5) Uani 1 1 d . . . . .
C27 C -0.1008(7) 0.0825(3) 0.5114(5) 0.076(3) Uani 1 1 d . . . . .
H24 H -0.1411 0.0603 0.4947 0.114 Uiso 1 1 calc R U . . .
H25 H -0.0650 0.0747 0.5521 0.114 Uiso 1 1 calc R U . . .
H26 H -0.0526 0.0900 0.4785 0.114 Uiso 1 1 calc R U . . .
C28 C -0.2445(8) 0.1403(3) 0.4494(5) 0.099(4) Uani 1 1 d . . . . .
H27 H -0.1965 0.1384 0.4142 0.148 Uiso 1 1 calc R U . . .
H28 H -0.2675 0.1676 0.4530 0.148 Uiso 1 1 calc R U . . .
H29 H -0.3016 0.1232 0.4392 0.148 Uiso 1 1 calc R U . . .
C29 C -0.2857(6) 0.1086(2) 0.5827(4) 0.060(2) Uani 1 1 d . . . . .
H30 H -0.3373 0.1290 0.5837 0.090 Uiso 1 1 calc R U . . .
H31 H -0.2581 0.1043 0.6274 0.090 Uiso 1 1 calc R U . . .
H32 H -0.3150 0.0841 0.5657 0.090 Uiso 1 1 calc R U . . .
Si3 Si 0.37321(13) 0.19110(6) 0.54960(10) 0.0396(4) Uani 1 1 d . . . . .
C30 C 0.3244(5) 0.2385(2) 0.5808(4) 0.0492(18) Uani 1 1 d . . . . .
H33 H 0.3765 0.2586 0.5790 0.074 Uiso 1 1 calc R U . . .
H34 H 0.3045 0.2352 0.6264 0.074 Uiso 1 1 calc R U . . .
H35 H 0.2665 0.2467 0.5535 0.074 Uiso 1 1 calc R U . . .
C31 C 0.4573(5) 0.1698(2) 0.6152(3) 0.0453(17) Uani 1 1 d . . . . .
H36 H 0.4807 0.1439 0.6012 0.068 Uiso 1 1 calc R U . . .
H37 H 0.4207 0.1671 0.6558 0.068 Uiso 1 1 calc R U . . .
H38 H 0.5146 0.1873 0.6229 0.068 Uiso 1 1 calc R U . . .
C32 C 0.4497(5) 0.2006(3) 0.4762(4) 0.056(2) Uani 1 1 d . . . . .
H39 H 0.4055 0.2074 0.4385 0.084 Uiso 1 1 calc R U . . .
H40 H 0.4880 0.1770 0.4659 0.084 Uiso 1 1 calc R U . . .
H41 H 0.4956 0.2225 0.4855 0.084 Uiso 1 1 calc R U . . .
Si4 Si 0.29490(14) 0.11189(6) 0.47645(9) 0.0391(4) Uani 1 1 d . . . . .
C33 C 0.4124(5) 0.0876(2) 0.5089(4) 0.0503(18) Uani 1 1 d . . . . .
H42 H 0.4076 0.0831 0.5563 0.075 Uiso 1 1 calc R U . . .
H43 H 0.4696 0.1047 0.5010 0.075 Uiso 1 1 calc R U . . .
H44 H 0.4213 0.0624 0.4865 0.075 Uiso 1 1 calc R U . . .
C34 C 0.3127(6) 0.1250(2) 0.3883(4) 0.056(2) Uani 1 1 d . . . . .
H45 H 0.3264 0.1011 0.3633 0.083 Uiso 1 1 calc R U . . .
H46 H 0.3690 0.1432 0.3853 0.083 Uiso 1 1 calc R U . . .
H47 H 0.2519 0.1375 0.3702 0.083 Uiso 1 1 calc R U . . .
C35 C 0.1907(6) 0.0762(2) 0.4778(4) 0.0496(18) Uani 1 1 d . . . . .
H48 H 0.1309 0.0880 0.4570 0.074 Uiso 1 1 calc R U . . .
H49 H 0.1772 0.0694 0.5235 0.074 Uiso 1 1 calc R U . . .
H50 H 0.2088 0.0524 0.4538 0.074 Uiso 1 1 calc R U . . .
Si5 Si 0.12443(16) 0.28664(6) 0.41161(11) 0.0483(5) Uani 1 1 d . . . . .
C36 C 0.2643(6) 0.2831(3) 0.4120(6) 0.083(3) Uani 1 1 d . . . . .
H51 H 0.2935 0.3061 0.4342 0.124 Uiso 1 1 calc R U . . .
H52 H 0.2866 0.2821 0.3666 0.124 Uiso 1 1 calc R U . . .
H53 H 0.2859 0.2591 0.4352 0.124 Uiso 1 1 calc R U . . .
C37 C 0.1037(7) 0.3309(2) 0.3589(5) 0.072(3) Uani 1 1 d . . . . .
H54 H 0.0333 0.3385 0.3593 0.108 Uiso 1 1 calc R U . . .
H55 H 0.1218 0.3248 0.3137 0.108 Uiso 1 1 calc R U . . .
H56 H 0.1452 0.3526 0.3759 0.108 Uiso 1 1 calc R U . . .
C38 C 0.0935(7) 0.2988(3) 0.4981(4) 0.071(3) Uani 1 1 d . . . . .
H57 H 0.1449 0.3162 0.5172 0.107 Uiso 1 1 calc R U . . .
H58 H 0.0908 0.2746 0.5240 0.107 Uiso 1 1 calc R U . . .
H59 H 0.0286 0.3121 0.4984 0.107 Uiso 1 1 calc R U . . .
Si6 Si 0.09611(16) 0.21215(6) 0.31108(10) 0.0470(5) Uani 1 1 d . . . . .
C39 C 0.0545(6) 0.1597(2) 0.3190(4) 0.055(2) Uani 1 1 d . . . . .
C40 C 0.2366(6) 0.2135(3) 0.3009(4) 0.065(2) Uani 1 1 d . . . . .
H60 H 0.2706 0.2053 0.3421 0.098 Uiso 1 1 calc R U . . .
H61 H 0.2571 0.2403 0.2899 0.098 Uiso 1 1 calc R U . . .
H62 H 0.2546 0.1955 0.2656 0.098 Uiso 1 1 calc R U . . .
C41 C 0.0470(6) 0.2292(3) 0.2279(4) 0.061(2) Uani 1 1 d . . . . .
H63 H 0.0778 0.2136 0.1934 0.092 Uiso 1 1 calc R U . . .
H64 H 0.0631 0.2570 0.2220 0.092 Uiso 1 1 calc R U . . .
H65 H -0.0256 0.2257 0.2250 0.092 Uiso 1 1 calc R U . . .
Si7 Si -0.08437(15) 0.25788(7) 0.36298(11) 0.0506(5) Uani 1 1 d . . . . .
C42 C -0.1656(6) 0.2156(2) 0.3366(4) 0.060(2) Uani 1 1 d . . . . .
H66 H -0.2355 0.2241 0.3346 0.090 Uiso 1 1 calc R U . . .
H67 H -0.1574 0.1941 0.3683 0.090 Uiso 1 1 calc R U . . .
H68 H -0.1465 0.2066 0.2931 0.090 Uiso 1 1 calc R U . . .
C43 C -0.0932(7) 0.2930(3) 0.2921(5) 0.074(3) Uani 1 1 d . . . . .
H69 H -0.1092 0.3194 0.3082 0.111 Uiso 1 1 calc R U . . .
H70 H -0.1458 0.2843 0.2608 0.111 Uiso 1 1 calc R U . . .
H71 H -0.0292 0.2938 0.2701 0.111 Uiso 1 1 calc R U . . .
C44 C -0.1475(7) 0.2846(3) 0.4318(5) 0.071(3) Uani 1 1 d . . . . .
H72 H -0.1172 0.3107 0.4378 0.107 Uiso 1 1 calc R U . . .
H73 H -0.1391 0.2695 0.4726 0.107 Uiso 1 1 calc R U . . .
H74 H -0.2187 0.2876 0.4206 0.107 Uiso 1 1 calc R U . . .
C45 C 0.0147(4) 0.02932(18) 0.7410(3) 0.0322(13) Uani 1 1 d . . . . .
H14 H 0.0306 0.0543 0.7174 0.039 Uiso 1 1 calc R U . . .
C46 C 0.3904(4) 0.02651(18) 0.7153(3) 0.0321(13) Uani 1 1 d . . . . .
H15 H 0.3667 0.0504 0.6907 0.038 Uiso 1 1 calc R U . . .
C47 C 0.2288(4) -0.07042(18) 0.8707(3) 0.0325(13) Uani 1 1 d . . . . .
Si8 Si -0.05686(13) 0.04712(6) 0.81286(9) 0.0391(4) Uani 1 1 d . . . . .
C48 C 0.0358(5) 0.0667(2) 0.8751(3) 0.0451(17) Uani 1 1 d . . . . .
H75 H 0.0698 0.0448 0.8976 0.068 Uiso 1 1 calc R U . . .
H76 H 0.0012 0.0827 0.9074 0.068 Uiso 1 1 calc R U . . .
H77 H 0.0849 0.0830 0.8531 0.068 Uiso 1 1 calc R U . . .
C49 C -0.1365(5) 0.0082(2) 0.8490(4) 0.0498(18) Uani 1 1 d . . . . .
H78 H -0.1861 -0.0008 0.8158 0.075 Uiso 1 1 calc R U . . .
H79 H -0.1706 0.0190 0.8869 0.075 Uiso 1 1 calc R U . . .
H80 H -0.0946 -0.0140 0.8633 0.075 Uiso 1 1 calc R U . . .
C50 C -0.1393(6) 0.0889(2) 0.7856(4) 0.056(2) Uani 1 1 d . . . . .
H81 H -0.0984 0.1101 0.7683 0.084 Uiso 1 1 calc R U . . .
H82 H -0.1762 0.0986 0.8231 0.084 Uiso 1 1 calc R U . . .
H83 H -0.1866 0.0797 0.7511 0.084 Uiso 1 1 calc R U . . .
Si9 Si -0.04930(13) -0.00128(6) 0.67452(9) 0.0394(4) Uani 1 1 d . . . . .
C51 C -0.0714(7) -0.0531(2) 0.6996(4) 0.070(3) Uani 1 1 d . . . . .
H84 H -0.1112 -0.0665 0.6652 0.105 Uiso 1 1 calc R U . . .
H85 H -0.1073 -0.0534 0.7408 0.105 Uiso 1 1 calc R U . . .
H86 H -0.0072 -0.0665 0.7062 0.105 Uiso 1 1 calc R U . . .
C52 C 0.0306(5) -0.0020(3) 0.6024(4) 0.056(2) Uani 1 1 d . . . . .
H87 H -0.0031 -0.0165 0.5665 0.084 Uiso 1 1 calc R U . . .
H88 H 0.0941 -0.0149 0.6142 0.084 Uiso 1 1 calc R U . . .
H89 H 0.0433 0.0250 0.5882 0.084 Uiso 1 1 calc R U . . .
C53 C -0.1718(5) 0.0212(3) 0.6520(4) 0.055(2) Uani 1 1 d . . . . .
H90 H -0.1637 0.0497 0.6468 0.083 Uiso 1 1 calc R U . . .
H91 H -0.2189 0.0160 0.6867 0.083 Uiso 1 1 calc R U . . .
H92 H -0.1974 0.0098 0.6105 0.083 Uiso 1 1 calc R U . . .
Si10 Si 0.49073(12) 0.04658(6) 0.77464(9) 0.0361(4) Uani 1 1 d . . . . .
C54 C 0.5890(5) 0.0093(2) 0.7963(4) 0.0482(18) Uani 1 1 d . . . . .
H93 H 0.6309 0.0051 0.7584 0.072 Uiso 1 1 calc R U . . .
H94 H 0.5572 -0.0155 0.8083 0.072 Uiso 1 1 calc R U . . .
H95 H 0.6303 0.0189 0.8336 0.072 Uiso 1 1 calc R U . . .
C55 C 0.5519(5) 0.0891(2) 0.7348(4) 0.0476(17) Uani 1 1 d . . . . .
H96 H 0.5025 0.1099 0.7264 0.071 Uiso 1 1 calc R U . . .
H97 H 0.5797 0.0807 0.6932 0.071 Uiso 1 1 calc R U . . .
H98 H 0.6056 0.0992 0.7640 0.071 Uiso 1 1 calc R U . . .
C56 C 0.4327(5) 0.0645(2) 0.8513(3) 0.0399(15) Uani 1 1 d . . . . .
H99 H 0.4822 0.0792 0.8778 0.060 Uiso 1 1 calc R U . . .
H100 H 0.4094 0.0419 0.8766 0.060 Uiso 1 1 calc R U . . .
H101 H 0.3761 0.0816 0.8397 0.060 Uiso 1 1 calc R U . . .
Si11 Si 0.43300(13) -0.00765(5) 0.64795(9) 0.0352(4) Uani 1 1 d . . . . .
C57 C 0.4709(6) -0.0577(2) 0.6772(4) 0.0504(18) Uani 1 1 d . . . . .
H102 H 0.4167 -0.0693 0.7018 0.076 Uiso 1 1 calc R U . . .
H103 H 0.5309 -0.0556 0.7058 0.076 Uiso 1 1 calc R U . . .
H104 H 0.4849 -0.0743 0.6393 0.076 Uiso 1 1 calc R U . . .
C58 C 0.5431(5) 0.0142(2) 0.6070(3) 0.0407(15) Uani 1 1 d . . . . .
H105 H 0.5565 -0.0007 0.5669 0.061 Uiso 1 1 calc R U . . .
H106 H 0.6017 0.0130 0.6370 0.061 Uiso 1 1 calc R U . . .
H107 H 0.5289 0.0417 0.5955 0.061 Uiso 1 1 calc R U . . .
C59 C 0.3262(5) -0.0135(2) 0.5873(3) 0.0433(16) Uani 1 1 d . . . . .
H108 H 0.3484 -0.0282 0.5490 0.065 Uiso 1 1 calc R U . . .
H109 H 0.3022 0.0125 0.5733 0.065 Uiso 1 1 calc R U . . .
H110 H 0.2721 -0.0279 0.6078 0.065 Uiso 1 1 calc R U . . .
Si12 Si 0.30992(14) -0.04973(6) 0.94259(9) 0.0376(4) Uani 1 1 d . . . . .
C60 C 0.4476(5) -0.0451(2) 0.9306(4) 0.0507(18) Uani 1 1 d . . . . .
H111 H 0.4590 -0.0301 0.8905 0.076 Uiso 1 1 calc R U . . .
H112 H 0.4769 -0.0714 0.9268 0.076 Uiso 1 1 calc R U . . .
H113 H 0.4788 -0.0315 0.9684 0.076 Uiso 1 1 calc R U . . .
C61 C 0.2664(5) 0.0011(2) 0.9619(3) 0.0462(17) Uani 1 1 d . . . . .
H114 H 0.2019 -0.0003 0.9831 0.069 Uiso 1 1 calc R U . . .
H115 H 0.2592 0.0164 0.9212 0.069 Uiso 1 1 calc R U . . .
H116 H 0.3154 0.0139 0.9917 0.069 Uiso 1 1 calc R U . . .
C62 C 0.3056(6) -0.0785(2) 1.0205(4) 0.055(2) Uani 1 1 d . . . . .
H117 H 0.3485 -0.0660 1.0543 0.082 Uiso 1 1 calc R U . . .
H118 H 0.3292 -0.1054 1.0128 0.082 Uiso 1 1 calc R U . . .
H119 H 0.2368 -0.0794 1.0354 0.082 Uiso 1 1 calc R U . . .
Si13 Si 0.28053(14) -0.11364(5) 0.82071(9) 0.0376(4) Uani 1 1 d . . . . .
C63 C 0.2437(6) -0.1642(2) 0.8474(4) 0.054(2) Uani 1 1 d . . . . .
H120 H 0.1709 -0.1655 0.8503 0.081 Uiso 1 1 calc R U . . .
H121 H 0.2749 -0.1699 0.8906 0.081 Uiso 1 1 calc R U . . .
H122 H 0.2659 -0.1835 0.8153 0.081 Uiso 1 1 calc R U . . .
C64 C 0.4208(5) -0.1171(2) 0.8207(4) 0.0531(19) Uani 1 1 d . . . . .
H123 H 0.4453 -0.1296 0.8616 0.080 Uiso 1 1 calc R U . . .
H124 H 0.4493 -0.0906 0.8176 0.080 Uiso 1 1 calc R U . . .
H125 H 0.4409 -0.1329 0.7831 0.080 Uiso 1 1 calc R U . . .
C65 C 0.2299(5) -0.1099(2) 0.7343(3) 0.0435(16) Uani 1 1 d . . . . .
H126 H 0.2610 -0.1300 0.7072 0.065 Uiso 1 1 calc R U . . .
H127 H 0.2447 -0.0837 0.7167 0.065 Uiso 1 1 calc R U . . .
H128 H 0.1575 -0.1139 0.7335 0.065 Uiso 1 1 calc R U . . .
Si14 Si 0.10613(13) -0.08758(6) 0.90737(9) 0.0373(4) Uani 1 1 d . . . . .
C66 C 0.1210(6) -0.1300(2) 0.9667(4) 0.0491(18) Uani 1 1 d . . . . .
H129 H 0.0814 -0.1524 0.9504 0.074 Uiso 1 1 calc R U . . .
H130 H 0.0980 -0.1221 1.0099 0.074 Uiso 1 1 calc R U . . .
H131 H 0.1915 -0.1376 0.9705 0.074 Uiso 1 1 calc R U . . .
C67 C 0.0132(5) -0.1058(2) 0.8443(4) 0.0500(19) Uani 1 1 d . . . . .
H132 H -0.0435 -0.1176 0.8663 0.075 Uiso 1 1 calc R U . . .
H133 H 0.0445 -0.1256 0.8167 0.075 Uiso 1 1 calc R U . . .
H134 H -0.0103 -0.0837 0.8169 0.075 Uiso 1 1 calc R U . . .
C68 C 0.0454(5) -0.0475(2) 0.9555(3) 0.0472(17) Uani 1 1 d . . . . .
H135 H 0.0486 -0.0227 0.9310 0.071 Uiso 1 1 calc R U . . .
H136 H 0.0805 -0.0445 0.9982 0.071 Uiso 1 1 calc R U . . .
H137 H -0.0245 -0.0543 0.9622 0.071 Uiso 1 1 calc R U . . .
C69 C 0.2840(14) 0.1004(5) 0.0563(11) 0.129(11) Uani 0.5 1 d G U P B 1
H144 H 0.3238 0.0773 0.0607 0.154 Uiso 0.5 1 calc R U P B 1
C70 C 0.2239(14) 0.1061(4) 0.0002(9) 0.135(11) Uani 0.5 1 d G U P B 1
H145 H 0.2226 0.0870 -0.0339 0.162 Uiso 0.5 1 calc R U P B 1
C71 C 0.1658(11) 0.1398(4) -0.0062(7) 0.085(6) Uani 0.5 1 d G U P B 1
H146 H 0.1247 0.1437 -0.0446 0.103 Uiso 0.5 1 calc R U P B 1
C72 C 0.1677(11) 0.1678(3) 0.0436(8) 0.074(5) Uani 0.5 1 d G U P B 1
H147 H 0.1279 0.1908 0.0393 0.089 Uiso 0.5 1 calc R U P B 1
C73 C 0.2278(12) 0.1621(4) 0.0998(7) 0.089(8) Uani 0.5 1 d G U P B 1
H148 H 0.2291 0.1812 0.1339 0.107 Uiso 0.5 1 calc R U P B 1
C74 C 0.2859(13) 0.1283(6) 0.1062(9) 0.134(10) Uani 0.5 1 d G U P B 1
H149 H 0.3270 0.1244 0.1446 0.161 Uiso 0.5 1 calc R U P B 1
C75 C 0.2694(12) 0.0799(4) 0.0967(10) 0.079(6) Uani 0.5 1 d G U P C 2
H150 H 0.2767 0.0523 0.0906 0.095 Uiso 0.5 1 calc R U P C 2
C76 C 0.2897(13) 0.0965(6) 0.1581(9) 0.112(8) Uani 0.5 1 d G U P C 2
H151 H 0.3110 0.0803 0.1940 0.134 Uiso 0.5 1 calc R U P C 2
C79 C 0.2791(18) 0.1368(7) 0.1670(12) 0.189(16) Uani 0.5 1 d G U P C 2
H152 H 0.2930 0.1482 0.2089 0.227 Uiso 0.5 1 calc R U P C 2
C80 C 0.248(2) 0.1605(4) 0.1144(16) 0.22(3) Uani 0.5 1 d G U P C 2
H153 H 0.2407 0.1880 0.1205 0.268 Uiso 0.5 1 calc R U P C 2
C78 C 0.2277(18) 0.1438(6) 0.0530(12) 0.163(14) Uani 0.5 1 d G U P C 2
H154 H 0.2065 0.1600 0.0172 0.196 Uiso 0.5 1 calc R U P C 2
C77 C 0.2383(14) 0.1035(7) 0.0442(8) 0.109(9) Uani 0.5 1 d G U P C 2
H155 H 0.2244 0.0921 0.0022 0.131 Uiso 0.5 1 calc R U P C 2


_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 C9 2.003(6) . ?
Ge1 C1 2.040(6) . ?
Ge1 Ge2 2.414(3) . ?
Ge2 C15 1.977(6) . ?
Ge2 C2 2.008(7) . ?
Ge3 C9 1.842(12) . ?
Ge3 C1 1.934(13) . ?
Ge3 Ge4 2.41(3) . ?
Ge4 C2 1.76(2) . ?
Ge4 C15 1.95(2) . ?
C1 C3 1.517(8) . ?
C1 C2 1.540(9) . ?
C1 H138 1.0000 . ?
C1 H139 1.0000 . ?
C2 H140 0.9900 . ?
C2 H141 0.9900 . ?
C2 H142 0.9900 . ?
C2 H143 0.9900 . ?
C3 C4 1.374(10) . ?
C3 C8 1.413(11) . ?
C4 C5 1.381(11) . ?
C4 H3 0.9500 . ?
C5 C6 1.387(14) . ?
C5 H4 0.9500 . ?
C6 C7 1.373(15) . ?
C6 H5 0.9500 . ?
C7 C8 1.419(12) . ?
C7 H6 0.9500 . ?
C8 H7 0.9500 . ?
C9 C10 1.408(9) . ?
C9 C14 1.411(8) . ?
C10 C11 1.396(8) . ?
C10 C22 1.514(8) . ?
C11 C12 1.419(8) . ?
C11 H8 0.9500 . ?
C12 C13 1.369(9) . ?
C12 C23 1.564(8) . ?
C13 C14 1.404(8) . ?
C13 H9 0.9500 . ?
C14 C21 1.497(9) . ?
C15 C20 1.404(8) . ?
C15 C16 1.408(8) . ?
C16 C17 1.390(8) . ?
C16 C45 1.522(8) . ?
C17 C18 1.393(8) . ?
C17 H10 0.9500 . ?
C18 C19 1.406(8) . ?
C18 C47 1.553(8) . ?
C19 C20 1.399(8) . ?
C19 H11 0.9500 . ?
C20 C46 1.514(8) . ?
C21 Si2 1.894(6) . ?
C21 Si1 1.910(7) . ?
C21 H12 1.0000 . ?
C22 Si3 1.882(6) . ?
C22 Si4 1.896(6) . ?
C22 H13 1.0000 . ?
C23 Si7 1.899(6) . ?
C23 Si5 1.909(6) . ?
C23 Si6 1.947(7) . ?
Si1 C26 1.849(9) . ?
Si1 C25 1.872(9) . ?
Si1 C24 1.880(8) . ?
C25 H18 0.9800 . ?
C25 H19 0.9800 . ?
C25 H20 0.9800 . ?
C26 H21 0.9800 . ?
C26 H22 0.9800 . ?
C26 H23 0.9800 . ?
Si2 C28 1.849(9) . ?
Si2 C27 1.859(9) . ?
Si2 C29 1.875(8) . ?
C27 H24 0.9800 . ?
C27 H25 0.9800 . ?
C27 H26 0.9800 . ?
C28 H27 0.9800 . ?
C28 H28 0.9800 . ?
C28 H29 0.9800 . ?
C29 H30 0.9800 . ?
C29 H31 0.9800 . ?
C29 H32 0.9800 . ?
Si3 C30 1.859(7) . ?
Si3 C31 1.863(7) . ?
Si3 C32 1.868(8) . ?
C30 H33 0.9800 . ?
C30 H34 0.9800 . ?
C30 H35 0.9800 . ?
C31 H36 0.9800 . ?
C31 H37 0.9800 . ?
C31 H38 0.9800 . ?
C32 H39 0.9800 . ?
C32 H40 0.9800 . ?
C32 H41 0.9800 . ?
Si4 C35 1.850(8) . ?
Si4 C34 1.870(8) . ?
Si4 C33 1.879(7) . ?
C33 H42 0.9800 . ?
C33 H43 0.9800 . ?
C33 H44 0.9800 . ?
C34 H45 0.9800 . ?
C34 H46 0.9800 . ?
C34 H47 0.9800 . ?
C35 H48 0.9800 . ?
C35 H49 0.9800 . ?
C35 H50 0.9800 . ?
Si5 C37 1.863(8) . ?
Si5 C38 1.868(9) . ?
Si5 C36 1.879(9) . ?
C36 H51 0.9800 . ?
C36 H52 0.9800 . ?
C36 H53 0.9800 . ?
C37 H54 0.9800 . ?
C37 H55 0.9800 . ?
C37 H56 0.9800 . ?
C38 H57 0.9800 . ?
C38 H58 0.9800 . ?
C38 H59 0.9800 . ?
Si6 C39 1.875(8) . ?
Si6 C41 1.887(7) . ?
Si6 C40 1.902(8) . ?
C40 H60 0.9800 . ?
C40 H61 0.9800 . ?
C40 H62 0.9800 . ?
C41 H63 0.9800 . ?
C41 H64 0.9800 . ?
C41 H65 0.9800 . ?
Si7 C42 1.870(8) . ?
Si7 C43 1.874(8) . ?
Si7 C44 1.893(9) . ?
C42 H66 0.9800 . ?
C42 H67 0.9800 . ?
C42 H68 0.9800 . ?
C43 H69 0.9800 . ?
C43 H70 0.9800 . ?
C43 H71 0.9800 . ?
C44 H72 0.9800 . ?
C44 H73 0.9800 . ?
C44 H74 0.9800 . ?
C45 Si8 1.875(6) . ?
C45 Si9 1.889(6) . ?
C45 H14 1.0000 . ?
C46 Si11 1.899(6) . ?
C46 Si10 1.903(6) . ?
C46 H15 1.0000 . ?
C47 Si14 1.919(6) . ?
C47 Si12 1.927(6) . ?
C47 Si13 1.928(6) . ?
Si8 C49 1.866(7) . ?
Si8 C48 1.867(7) . ?
Si8 C50 1.872(7) . ?
C48 H75 0.9800 . ?
C48 H76 0.9800 . ?
C48 H77 0.9800 . ?
C49 H78 0.9800 . ?
C49 H79 0.9800 . ?
C49 H80 0.9800 . ?
C50 H81 0.9800 . ?
C50 H82 0.9800 . ?
C50 H83 0.9800 . ?
Si9 C52 1.846(8) . ?
Si9 C53 1.855(7) . ?
Si9 C51 1.859(8) . ?
C51 H84 0.9800 . ?
C51 H85 0.9800 . ?
C51 H86 0.9800 . ?
C52 H87 0.9800 . ?
C52 H88 0.9800 . ?
C52 H89 0.9800 . ?
C53 H90 0.9800 . ?
C53 H91 0.9800 . ?
C53 H92 0.9800 . ?
Si10 C55 1.861(7) . ?
Si10 C56 1.867(7) . ?
Si10 C54 1.869(7) . ?
C54 H93 0.9800 . ?
C54 H94 0.9800 . ?
C54 H95 0.9800 . ?
C55 H96 0.9800 . ?
C55 H97 0.9800 . ?
C55 H98 0.9800 . ?
C56 H99 0.9800 . ?
C56 H100 0.9800 . ?
C56 H101 0.9800 . ?
Si11 C57 1.866(7) . ?
Si11 C59 1.869(7) . ?
Si11 C58 1.873(7) . ?
C57 H102 0.9800 . ?
C57 H103 0.9800 . ?
C57 H104 0.9800 . ?
C58 H105 0.9800 . ?
C58 H106 0.9800 . ?
C58 H107 0.9800 . ?
C59 H108 0.9800 . ?
C59 H109 0.9800 . ?
C59 H110 0.9800 . ?
Si12 C62 1.866(7) . ?
Si12 C61 1.871(7) . ?
Si12 C60 1.876(7) . ?
C60 H111 0.9800 . ?
C60 H112 0.9800 . ?
C60 H113 0.9800 . ?
C61 H114 0.9800 . ?
C61 H115 0.9800 . ?
C61 H116 0.9800 . ?
C62 H117 0.9800 . ?
C62 H118 0.9800 . ?
C62 H119 0.9800 . ?
Si13 C65 1.868(7) . ?
Si13 C63 1.873(7) . ?
Si13 C64 1.885(7) . ?
C63 H120 0.9800 . ?
C63 H121 0.9800 . ?
C63 H122 0.9800 . ?
C64 H123 0.9800 . ?
C64 H124 0.9800 . ?
C64 H125 0.9800 . ?
C65 H126 0.9800 . ?
C65 H127 0.9800 . ?
C65 H128 0.9800 . ?
Si14 C67 1.864(7) . ?
Si14 C68 1.880(7) . ?
Si14 C66 1.887(7) . ?
C66 H129 0.9800 . ?
C66 H130 0.9800 . ?
C66 H131 0.9800 . ?
C67 H132 0.9800 . ?
C67 H133 0.9800 . ?
C67 H134 0.9800 . ?
C68 H135 0.9800 . ?
C68 H136 0.9800 . ?
C68 H137 0.9800 . ?
C69 C70 1.3900 . ?
C69 C74 1.3900 . ?
C69 H144 0.9500 . ?
C70 C71 1.3900 . ?
C70 H145 0.9500 . ?
C71 C72 1.3900 . ?
C71 H146 0.9500 . ?
C72 C73 1.3900 . ?
C72 H147 0.9500 . ?
C73 C74 1.3900 . ?
C73 H148 0.9500 . ?
C74 H149 0.9500 . ?
C75 C76 1.3900 . ?
C75 C77 1.3900 . ?
C75 H150 0.9500 . ?
C76 C79 1.3900 . ?
C76 H151 0.9500 . ?
C79 C80 1.3900 . ?
C79 H152 0.9500 . ?
C80 C78 1.3900 . ?
C80 H153 0.9500 . ?
C78 C77 1.3900 . ?
C78 H154 0.9500 . ?
C77 H155 0.9500 . ?

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
C9 Ge1 C1 111.5(3) . . ?
C9 Ge1 Ge2 136.9(2) . . ?
C1 Ge1 Ge2 76.78(18) . . ?
C15 Ge2 C2 110.5(3) . . ?
C15 Ge2 Ge1 143.7(2) . . ?
C2 Ge2 Ge1 76.65(19) . . ?
C9 Ge3 C1 124.5(6) . . ?
C9 Ge3 Ge4 160.3(15) . . ?
C1 Ge3 Ge4 72.9(9) . . ?
C2 Ge4 C15 123.7(14) . . ?
C2 Ge4 Ge3 79.1(9) . . ?
C15 Ge4 Ge3 157.0(14) . . ?
C3 C1 C2 114.4(5) . . ?
C3 C1 Ge3 124.5(14) . . ?
C2 C1 Ge3 101.6(5) . . ?
C3 C1 Ge1 109.1(4) . . ?
C2 C1 Ge1 100.0(4) . . ?
C3 C1 H138 110.9 . . ?
C2 C1 H138 110.9 . . ?
Ge1 C1 H138 110.9 . . ?
C3 C1 H139 104.8 . . ?
C2 C1 H139 104.8 . . ?
Ge3 C1 H139 104.8 . . ?
C1 C2 Ge4 104.4(8) . . ?
C1 C2 Ge2 102.5(4) . . ?
C1 C2 H140 111.3 . . ?
Ge2 C2 H140 111.3 . . ?
C1 C2 H141 111.3 . . ?
Ge2 C2 H141 111.3 . . ?
H140 C2 H141 109.2 . . ?
C1 C2 H142 110.9 . . ?
Ge4 C2 H142 110.9 . . ?
C1 C2 H143 110.9 . . ?
Ge4 C2 H143 110.9 . . ?
H142 C2 H143 108.9 . . ?
C4 C3 C8 117.8(7) . . ?
C4 C3 C1 121.4(7) . . ?
C8 C3 C1 120.7(7) . . ?
C3 C4 C5 124.1(8) . . ?
C3 C4 H3 118.0 . . ?
C5 C4 H3 118.0 . . ?
C4 C5 C6 117.8(9) . . ?
C4 C5 H4 121.1 . . ?
C6 C5 H4 121.1 . . ?
C7 C6 C5 120.9(9) . . ?
C7 C6 H5 119.5 . . ?
C5 C6 H5 119.5 . . ?
C6 C7 C8 120.6(10) . . ?
C6 C7 H6 119.7 . . ?
C8 C7 H6 119.7 . . ?
C3 C8 C7 118.8(9) . . ?
C3 C8 H7 120.6 . . ?
C7 C8 H7 120.6 . . ?
C10 C9 C14 119.9(6) . . ?
C10 C9 Ge3 101.1(19) . . ?
C14 C9 Ge3 138.6(19) . . ?
C10 C9 Ge1 121.6(4) . . ?
C14 C9 Ge1 118.3(5) . . ?
C11 C10 C9 118.9(5) . . ?
C11 C10 C22 119.0(6) . . ?
C9 C10 C22 122.1(5) . . ?
C10 C11 C12 123.0(6) . . ?
C10 C11 H8 118.5 . . ?
C12 C11 H8 118.5 . . ?
C13 C12 C11 115.5(6) . . ?
C13 C12 C23 125.0(5) . . ?
C11 C12 C23 119.5(5) . . ?
C12 C13 C14 124.8(6) . . ?
C12 C13 H9 117.6 . . ?
C14 C13 H9 117.6 . . ?
C13 C14 C9 117.8(6) . . ?
C13 C14 C21 120.8(5) . . ?
C9 C14 C21 121.4(5) . . ?
C20 C15 C16 119.4(5) . . ?
C20 C15 Ge4 123.9(9) . . ?
C16 C15 Ge4 114.3(11) . . ?
C20 C15 Ge2 117.1(4) . . ?
C16 C15 Ge2 123.3(4) . . ?
C17 C16 C15 119.2(5) . . ?
C17 C16 C45 119.7(5) . . ?
C15 C16 C45 121.1(5) . . ?
C16 C17 C18 123.7(6) . . ?
C16 C17 H10 118.2 . . ?
C18 C17 H10 118.2 . . ?
C17 C18 C19 115.3(5) . . ?
C17 C18 C47 124.1(5) . . ?
C19 C18 C47 120.6(5) . . ?
C20 C19 C18 123.5(5) . . ?
C20 C19 H11 118.2 . . ?
C18 C19 H11 118.2 . . ?
C19 C20 C15 118.7(5) . . ?
C19 C20 C46 120.8(5) . . ?
C15 C20 C46 120.5(5) . . ?
C14 C21 Si2 113.2(4) . . ?
C14 C21 Si1 115.9(4) . . ?
Si2 C21 Si1 115.1(3) . . ?
C14 C21 H12 103.5 . . ?
Si2 C21 H12 103.5 . . ?
Si1 C21 H12 103.5 . . ?
C10 C22 Si3 117.9(4) . . ?
C10 C22 Si4 110.2(4) . . ?
Si3 C22 Si4 117.7(3) . . ?
C10 C22 H13 102.7 . . ?
Si3 C22 H13 102.7 . . ?
Si4 C22 H13 102.7 . . ?
C12 C23 Si7 114.8(4) . . ?
C12 C23 Si5 105.3(4) . . ?
Si7 C23 Si5 108.8(3) . . ?
C12 C23 Si6 105.3(4) . . ?
Si7 C23 Si6 106.9(3) . . ?
Si5 C23 Si6 115.9(3) . . ?
C26 Si1 C25 108.1(5) . . ?
C26 Si1 C24 109.1(5) . . ?
C25 Si1 C24 110.0(4) . . ?
C26 Si1 C21 107.2(4) . . ?
C25 Si1 C21 113.4(4) . . ?
C24 Si1 C21 109.0(3) . . ?
Si1 C25 H18 109.5 . . ?
Si1 C25 H19 109.5 . . ?
H18 C25 H19 109.5 . . ?
Si1 C25 H20 109.5 . . ?
H18 C25 H20 109.5 . . ?
H19 C25 H20 109.5 . . ?
Si1 C26 H21 109.5 . . ?
Si1 C26 H22 109.5 . . ?
H21 C26 H22 109.5 . . ?
Si1 C26 H23 109.5 . . ?
H21 C26 H23 109.5 . . ?
H22 C26 H23 109.5 . . ?
C28 Si2 C27 108.1(6) . . ?
C28 Si2 C29 106.7(4) . . ?
C27 Si2 C29 109.4(4) . . ?
C28 Si2 C21 116.7(4) . . ?
C27 Si2 C21 106.5(4) . . ?
C29 Si2 C21 109.4(4) . . ?
Si2 C27 H24 109.5 . . ?
Si2 C27 H25 109.5 . . ?
H24 C27 H25 109.5 . . ?
Si2 C27 H26 109.5 . . ?
H24 C27 H26 109.5 . . ?
H25 C27 H26 109.5 . . ?
Si2 C28 H27 109.5 . . ?
Si2 C28 H28 109.5 . . ?
H27 C28 H28 109.5 . . ?
Si2 C28 H29 109.5 . . ?
H27 C28 H29 109.5 . . ?
H28 C28 H29 109.5 . . ?
Si2 C29 H30 109.5 . . ?
Si2 C29 H31 109.5 . . ?
H30 C29 H31 109.5 . . ?
Si2 C29 H32 109.5 . . ?
H30 C29 H32 109.5 . . ?
H31 C29 H32 109.5 . . ?
C30 Si3 C31 107.6(3) . . ?
C30 Si3 C32 109.4(4) . . ?
C31 Si3 C32 107.8(3) . . ?
C30 Si3 C22 111.1(3) . . ?
C31 Si3 C22 107.9(3) . . ?
C32 Si3 C22 112.9(3) . . ?
Si3 C30 H33 109.5 . . ?
Si3 C30 H34 109.5 . . ?
H33 C30 H34 109.5 . . ?
Si3 C30 H35 109.5 . . ?
H33 C30 H35 109.5 . . ?
H34 C30 H35 109.5 . . ?
Si3 C31 H36 109.5 . . ?
Si3 C31 H37 109.5 . . ?
H36 C31 H37 109.5 . . ?
Si3 C31 H38 109.5 . . ?
H36 C31 H38 109.5 . . ?
H37 C31 H38 109.5 . . ?
Si3 C32 H39 109.5 . . ?
Si3 C32 H40 109.5 . . ?
H39 C32 H40 109.5 . . ?
Si3 C32 H41 109.5 . . ?
H39 C32 H41 109.5 . . ?
H40 C32 H41 109.5 . . ?
C35 Si4 C34 106.9(4) . . ?
C35 Si4 C33 109.4(4) . . ?
C34 Si4 C33 108.0(3) . . ?
C35 Si4 C22 110.1(3) . . ?
C34 Si4 C22 115.1(3) . . ?
C33 Si4 C22 107.2(3) . . ?
Si4 C33 H42 109.5 . . ?
Si4 C33 H43 109.5 . . ?
H42 C33 H43 109.5 . . ?
Si4 C33 H44 109.5 . . ?
H42 C33 H44 109.5 . . ?
H43 C33 H44 109.5 . . ?
Si4 C34 H45 109.5 . . ?
Si4 C34 H46 109.5 . . ?
H45 C34 H46 109.5 . . ?
Si4 C34 H47 109.5 . . ?
H45 C34 H47 109.5 . . ?
H46 C34 H47 109.5 . . ?
Si4 C35 H48 109.5 . . ?
Si4 C35 H49 109.5 . . ?
H48 C35 H49 109.5 . . ?
Si4 C35 H50 109.5 . . ?
H48 C35 H50 109.5 . . ?
H49 C35 H50 109.5 . . ?
C37 Si5 C38 109.3(5) . . ?
C37 Si5 C36 100.6(4) . . ?
C38 Si5 C36 105.3(5) . . ?
C37 Si5 C23 114.9(3) . . ?
C38 Si5 C23 107.7(4) . . ?
C36 Si5 C23 118.5(4) . . ?
Si5 C36 H51 109.5 . . ?
Si5 C36 H52 109.5 . . ?
H51 C36 H52 109.5 . . ?
Si5 C36 H53 109.5 . . ?
H51 C36 H53 109.5 . . ?
H52 C36 H53 109.5 . . ?
Si5 C37 H54 109.5 . . ?
Si5 C37 H55 109.5 . . ?
H54 C37 H55 109.5 . . ?
Si5 C37 H56 109.5 . . ?
H54 C37 H56 109.5 . . ?
H55 C37 H56 109.5 . . ?
Si5 C38 H57 109.5 . . ?
Si5 C38 H58 109.5 . . ?
H57 C38 H58 109.5 . . ?
Si5 C38 H59 109.5 . . ?
H57 C38 H59 109.5 . . ?
H58 C38 H59 109.5 . . ?
C39 Si6 C41 105.8(4) . . ?
C39 Si6 C40 109.3(4) . . ?
C41 Si6 C40 102.3(4) . . ?
C39 Si6 C23 108.2(3) . . ?
C41 Si6 C23 115.3(3) . . ?
C40 Si6 C23 115.4(4) . . ?
Si6 C40 H60 109.5 . . ?
Si6 C40 H61 109.5 . . ?
H60 C40 H61 109.5 . . ?
Si6 C40 H62 109.5 . . ?
H60 C40 H62 109.5 . . ?
H61 C40 H62 109.5 . . ?
Si6 C41 H63 109.5 . . ?
Si6 C41 H64 109.5 . . ?
H63 C41 H64 109.5 . . ?
Si6 C41 H65 109.5 . . ?
H63 C41 H65 109.5 . . ?
H64 C41 H65 109.5 . . ?
C42 Si7 C43 104.3(4) . . ?
C42 Si7 C44 108.1(4) . . ?
C43 Si7 C44 104.2(4) . . ?
C42 Si7 C23 112.0(3) . . ?
C43 Si7 C23 114.1(4) . . ?
C44 Si7 C23 113.3(4) . . ?
Si7 C42 H66 109.5 . . ?
Si7 C42 H67 109.5 . . ?
H66 C42 H67 109.5 . . ?
Si7 C42 H68 109.5 . . ?
H66 C42 H68 109.5 . . ?
H67 C42 H68 109.5 . . ?
Si7 C43 H69 109.5 . . ?
Si7 C43 H70 109.5 . . ?
H69 C43 H70 109.5 . . ?
Si7 C43 H71 109.5 . . ?
H69 C43 H71 109.5 . . ?
H70 C43 H71 109.5 . . ?
Si7 C44 H72 109.5 . . ?
Si7 C44 H73 109.5 . . ?
H72 C44 H73 109.5 . . ?
Si7 C44 H74 109.5 . . ?
H72 C44 H74 109.5 . . ?
H73 C44 H74 109.5 . . ?
C16 C45 Si8 114.9(4) . . ?
C16 C45 Si9 110.3(4) . . ?
Si8 C45 Si9 120.3(3) . . ?
C16 C45 H14 102.9 . . ?
Si8 C45 H14 102.9 . . ?
Si9 C45 H14 102.9 . . ?
C20 C46 Si11 111.7(4) . . ?
C20 C46 Si10 115.5(4) . . ?
Si11 C46 Si10 117.0(3) . . ?
C20 C46 H15 103.5 . . ?
Si11 C46 H15 103.5 . . ?
Si10 C46 H15 103.5 . . ?
C18 C47 Si14 114.6(4) . . ?
C18 C47 Si12 105.0(4) . . ?
Si14 C47 Si12 106.5(3) . . ?
C18 C47 Si13 105.2(4) . . ?
Si14 C47 Si13 107.5(3) . . ?
Si12 C47 Si13 118.3(3) . . ?
C49 Si8 C48 111.2(3) . . ?
C49 Si8 C50 108.3(4) . . ?
C48 Si8 C50 107.6(4) . . ?
C49 Si8 C45 113.1(3) . . ?
C48 Si8 C45 107.4(3) . . ?
C50 Si8 C45 109.0(3) . . ?
Si8 C48 H75 109.5 . . ?
Si8 C48 H76 109.5 . . ?
H75 C48 H76 109.5 . . ?
Si8 C48 H77 109.5 . . ?
H75 C48 H77 109.5 . . ?
H76 C48 H77 109.5 . . ?
Si8 C49 H78 109.5 . . ?
Si8 C49 H79 109.5 . . ?
H78 C49 H79 109.5 . . ?
Si8 C49 H80 109.5 . . ?
H78 C49 H80 109.5 . . ?
H79 C49 H80 109.5 . . ?
Si8 C50 H81 109.5 . . ?
Si8 C50 H82 109.5 . . ?
H81 C50 H82 109.5 . . ?
Si8 C50 H83 109.5 . . ?
H81 C50 H83 109.5 . . ?
H82 C50 H83 109.5 . . ?
C52 Si9 C53 109.9(4) . . ?
C52 Si9 C51 108.0(4) . . ?
C53 Si9 C51 108.1(4) . . ?
C52 Si9 C45 108.3(3) . . ?
C53 Si9 C45 109.1(3) . . ?
C51 Si9 C45 113.4(3) . . ?
Si9 C51 H84 109.5 . . ?
Si9 C51 H85 109.5 . . ?
H84 C51 H85 109.5 . . ?
Si9 C51 H86 109.5 . . ?
H84 C51 H86 109.5 . . ?
H85 C51 H86 109.5 . . ?
Si9 C52 H87 109.5 . . ?
Si9 C52 H88 109.5 . . ?
H87 C52 H88 109.5 . . ?
Si9 C52 H89 109.5 . . ?
H87 C52 H89 109.5 . . ?
H88 C52 H89 109.5 . . ?
Si9 C53 H90 109.5 . . ?
Si9 C53 H91 109.5 . . ?
H90 C53 H91 109.5 . . ?
Si9 C53 H92 109.5 . . ?
H90 C53 H92 109.5 . . ?
H91 C53 H92 109.5 . . ?
C55 Si10 C56 108.2(3) . . ?
C55 Si10 C54 108.2(3) . . ?
C56 Si10 C54 109.5(3) . . ?
C55 Si10 C46 108.4(3) . . ?
C56 Si10 C46 109.9(3) . . ?
C54 Si10 C46 112.6(3) . . ?
Si10 C54 H93 109.5 . . ?
Si10 C54 H94 109.5 . . ?
H93 C54 H94 109.5 . . ?
Si10 C54 H95 109.5 . . ?
H93 C54 H95 109.5 . . ?
H94 C54 H95 109.5 . . ?
Si10 C55 H96 109.5 . . ?
Si10 C55 H97 109.5 . . ?
H96 C55 H97 109.5 . . ?
Si10 C55 H98 109.5 . . ?
H96 C55 H98 109.5 . . ?
H97 C55 H98 109.5 . . ?
Si10 C56 H99 109.5 . . ?
Si10 C56 H100 109.5 . . ?
H99 C56 H100 109.5 . . ?
Si10 C56 H101 109.5 . . ?
H99 C56 H101 109.5 . . ?
H100 C56 H101 109.5 . . ?
C57 Si11 C59 108.0(3) . . ?
C57 Si11 C58 107.0(3) . . ?
C59 Si11 C58 110.2(3) . . ?
C57 Si11 C46 114.3(3) . . ?
C59 Si11 C46 107.4(3) . . ?
C58 Si11 C46 109.8(3) . . ?
Si11 C57 H102 109.5 . . ?
Si11 C57 H103 109.5 . . ?
H102 C57 H103 109.5 . . ?
Si11 C57 H104 109.5 . . ?
H102 C57 H104 109.5 . . ?
H103 C57 H104 109.5 . . ?
Si11 C58 H105 109.5 . . ?
Si11 C58 H106 109.5 . . ?
H105 C58 H106 109.5 . . ?
Si11 C58 H107 109.5 . . ?
H105 C58 H107 109.5 . . ?
H106 C58 H107 109.5 . . ?
Si11 C59 H108 109.5 . . ?
Si11 C59 H109 109.5 . . ?
H108 C59 H109 109.5 . . ?
Si11 C59 H110 109.5 . . ?
H108 C59 H110 109.5 . . ?
H109 C59 H110 109.5 . . ?
C62 Si12 C61 106.7(4) . . ?
C62 Si12 C60 102.3(3) . . ?
C61 Si12 C60 105.4(3) . . ?
C62 Si12 C47 114.9(3) . . ?
C61 Si12 C47 109.0(3) . . ?
C60 Si12 C47 117.7(3) . . ?
Si12 C60 H111 109.5 . . ?
Si12 C60 H112 109.5 . . ?
H111 C60 H112 109.5 . . ?
Si12 C60 H113 109.5 . . ?
H111 C60 H113 109.5 . . ?
H112 C60 H113 109.5 . . ?
Si12 C61 H114 109.5 . . ?
Si12 C61 H115 109.5 . . ?
H114 C61 H115 109.5 . . ?
Si12 C61 H116 109.5 . . ?
H114 C61 H116 109.5 . . ?
H115 C61 H116 109.5 . . ?
Si12 C62 H117 109.5 . . ?
Si12 C62 H118 109.5 . . ?
H117 C62 H118 109.5 . . ?
Si12 C62 H119 109.5 . . ?
H117 C62 H119 109.5 . . ?
H118 C62 H119 109.5 . . ?
C65 Si13 C63 104.2(3) . . ?
C65 Si13 C64 109.6(3) . . ?
C63 Si13 C64 102.4(4) . . ?
C65 Si13 C47 108.5(3) . . ?
C63 Si13 C47 116.3(3) . . ?
C64 Si13 C47 115.1(3) . . ?
Si13 C63 H120 109.5 . . ?
Si13 C63 H121 109.5 . . ?
H120 C63 H121 109.5 . . ?
Si13 C63 H122 109.5 . . ?
H120 C63 H122 109.5 . . ?
H121 C63 H122 109.5 . . ?
Si13 C64 H123 109.5 . . ?
Si13 C64 H124 109.5 . . ?
H123 C64 H124 109.5 . . ?
Si13 C64 H125 109.5 . . ?
H123 C64 H125 109.5 . . ?
H124 C64 H125 109.5 . . ?
Si13 C65 H126 109.5 . . ?
Si13 C65 H127 109.5 . . ?
H126 C65 H127 109.5 . . ?
Si13 C65 H128 109.5 . . ?
H126 C65 H128 109.5 . . ?
H127 C65 H128 109.5 . . ?
C67 Si14 C68 107.9(4) . . ?
C67 Si14 C66 103.9(3) . . ?
C68 Si14 C66 105.1(3) . . ?
C67 Si14 C47 113.3(3) . . ?
C68 Si14 C47 111.9(3) . . ?
C66 Si14 C47 114.0(3) . . ?
Si14 C66 H129 109.5 . . ?
Si14 C66 H130 109.5 . . ?
H129 C66 H130 109.5 . . ?
Si14 C66 H131 109.5 . . ?
H129 C66 H131 109.5 . . ?
H130 C66 H131 109.5 . . ?
Si14 C67 H132 109.5 . . ?
Si14 C67 H133 109.5 . . ?
H132 C67 H133 109.5 . . ?
Si14 C67 H134 109.5 . . ?
H132 C67 H134 109.5 . . ?
H133 C67 H134 109.5 . . ?
Si14 C68 H135 109.5 . . ?
Si14 C68 H136 109.5 . . ?
H135 C68 H136 109.5 . . ?
Si14 C68 H137 109.5 . . ?
H135 C68 H137 109.5 . . ?
H136 C68 H137 109.5 . . ?
C70 C69 C74 120.0 . . ?
C70 C69 H144 120.0 . . ?
C74 C69 H144 120.0 . . ?
C69 C70 C71 120.0 . . ?
C69 C70 H145 120.0 . . ?
C71 C70 H145 120.0 . . ?
C72 C71 C70 120.0 . . ?
C72 C71 H146 120.0 . . ?
C70 C71 H146 120.0 . . ?
C71 C72 C73 120.0 . . ?
C71 C72 H147 120.0 . . ?
C73 C72 H147 120.0 . . ?
C72 C73 C74 120.0 . . ?
C72 C73 H148 120.0 . . ?
C74 C73 H148 120.0 . . ?
C73 C74 C69 120.0 . . ?
C73 C74 H149 120.0 . . ?
C69 C74 H149 120.0 . . ?
C76 C75 C77 120.0 . . ?
C76 C75 H150 120.0 . . ?
C77 C75 H150 120.0 . . ?
C79 C76 C75 120.0 . . ?
C79 C76 H151 120.0 . . ?
C75 C76 H151 120.0 . . ?
C76 C79 C80 120.0 . . ?
C76 C79 H152 120.0 . . ?
C80 C79 H152 120.0 . . ?
C79 C80 C78 120.0 . . ?
C79 C80 H153 120.0 . . ?
C78 C80 H153 120.0 . . ?
C77 C78 C80 120.0 . . ?
C77 C78 H154 120.0 . . ?
C80 C78 H154 120.0 . . ?
C78 C77 C75 120.0 . . ?
C78 C77 H155 120.0 . . ?
C75 C77 H155 120.0 . . ?

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
C3 C1 C2 Ge4 123.2(14) . . . . ?
Ge3 C1 C2 Ge4 -14(3) . . . . ?
Ge1 C1 C2 Ge4 6.8(14) . . . . ?
C3 C1 C2 Ge2 135.1(5) . . . . ?
Ge3 C1 C2 Ge2 -1.7(19) . . . . ?
Ge1 C1 C2 Ge2 18.7(4) . . . . ?
C15 Ge4 C2 C1 -173.1(19) . . . . ?
Ge3 Ge4 C2 C1 11(2) . . . . ?
C15 Ge4 C2 Ge2 105(4) . . . . ?
Ge3 Ge4 C2 Ge2 -71(4) . . . . ?
C2 C1 C3 C4 143.9(7) . . . . ?
Ge3 C1 C3 C4 -90.5(16) . . . . ?
Ge1 C1 C3 C4 -105.1(7) . . . . ?
C2 C1 C3 C8 -38.8(9) . . . . ?
Ge3 C1 C3 C8 86.8(16) . . . . ?
Ge1 C1 C3 C8 72.2(8) . . . . ?
C8 C3 C4 C5 2.5(12) . . . . ?
C1 C3 C4 C5 179.9(7) . . . . ?
C3 C4 C5 C6 -1.4(13) . . . . ?
C4 C5 C6 C7 0.0(15) . . . . ?
C5 C6 C7 C8 0.2(17) . . . . ?
C4 C3 C8 C7 -2.2(12) . . . . ?
C1 C3 C8 C7 -179.6(8) . . . . ?
C6 C7 C8 C3 0.9(16) . . . . ?
C1 Ge3 C9 C10 89(3) . . . . ?
Ge4 Ge3 C9 C10 -122(11) . . . . ?
C1 Ge3 C9 C14 -83(4) . . . . ?
Ge4 Ge3 C9 C14 66(11) . . . . ?
C1 Ge3 C9 Ge1 -90(4) . . . . ?
Ge4 Ge3 C9 Ge1 59(10) . . . . ?
C14 C9 C10 C11 3.5(9) . . . . ?
Ge3 C9 C10 C11 -170.7(6) . . . . ?
Ge1 C9 C10 C11 -170.4(4) . . . . ?
C14 C9 C10 C22 -175.4(6) . . . . ?
Ge3 C9 C10 C22 10.4(8) . . . . ?
Ge1 C9 C10 C22 10.8(8) . . . . ?
C9 C10 C11 C12 -0.9(9) . . . . ?
C22 C10 C11 C12 177.9(6) . . . . ?
C10 C11 C12 C13 -2.6(9) . . . . ?
C10 C11 C12 C23 179.4(6) . . . . ?
C11 C12 C13 C14 3.8(9) . . . . ?
C23 C12 C13 C14 -178.3(6) . . . . ?
C12 C13 C14 C9 -1.4(10) . . . . ?
C12 C13 C14 C21 178.2(6) . . . . ?
C10 C9 C14 C13 -2.4(9) . . . . ?
Ge3 C9 C14 C13 169.0(7) . . . . ?
Ge1 C9 C14 C13 171.7(4) . . . . ?
C10 C9 C14 C21 178.0(6) . . . . ?
Ge3 C9 C14 C21 -10.6(11) . . . . ?
Ge1 C9 C14 C21 -8.0(8) . . . . ?
C20 C15 C16 C17 4.8(9) . . . . ?
Ge4 C15 C16 C17 -158.0(11) . . . . ?
Ge2 C15 C16 C17 -169.2(4) . . . . ?
C20 C15 C16 C45 -176.4(5) . . . . ?
Ge4 C15 C16 C45 20.8(12) . . . . ?
Ge2 C15 C16 C45 9.6(8) . . . . ?
C15 C16 C17 C18 -0.8(9) . . . . ?
C45 C16 C17 C18 -179.5(6) . . . . ?
C16 C17 C18 C19 -3.1(9) . . . . ?
C16 C17 C18 C47 178.5(6) . . . . ?
C17 C18 C19 C20 3.1(9) . . . . ?
C47 C18 C19 C20 -178.5(5) . . . . ?
C18 C19 C20 C15 0.8(9) . . . . ?
C18 C19 C20 C46 -179.4(5) . . . . ?
C16 C15 C20 C19 -4.8(8) . . . . ?
Ge4 C15 C20 C19 156.3(13) . . . . ?
Ge2 C15 C20 C19 169.6(4) . . . . ?
C16 C15 C20 C46 175.4(5) . . . . ?
Ge4 C15 C20 C46 -23.5(15) . . . . ?
Ge2 C15 C20 C46 -10.2(7) . . . . ?
C13 C14 C21 Si2 75.7(7) . . . . ?
C9 C14 C21 Si2 -104.7(6) . . . . ?
C13 C14 C21 Si1 -60.4(7) . . . . ?
C9 C14 C21 Si1 119.2(6) . . . . ?
C11 C10 C22 Si3 58.0(7) . . . . ?
C9 C10 C22 Si3 -123.2(6) . . . . ?
C11 C10 C22 Si4 -81.1(6) . . . . ?
C9 C10 C22 Si4 97.7(6) . . . . ?
C13 C12 C23 Si7 -1.2(8) . . . . ?
C11 C12 C23 Si7 176.7(5) . . . . ?
C13 C12 C23 Si5 118.4(6) . . . . ?
C11 C12 C23 Si5 -63.7(6) . . . . ?
C13 C12 C23 Si6 -118.5(6) . . . . ?
C11 C12 C23 Si6 59.3(6) . . . . ?
C14 C21 Si2 C28 -65.0(7) . . . . ?
Si1 C21 Si2 C28 71.4(6) . . . . ?
C14 C21 Si2 C27 55.7(6) . . . . ?
Si1 C21 Si2 C27 -167.9(4) . . . . ?
C14 C21 Si2 C29 173.8(5) . . . . ?
Si1 C21 Si2 C29 -49.8(5) . . . . ?
C10 C22 Si3 C30 25.1(6) . . . . ?
Si4 C22 Si3 C30 161.1(4) . . . . ?
C10 C22 Si3 C31 142.9(5) . . . . ?
Si4 C22 Si3 C31 -81.1(4) . . . . ?
C10 C22 Si3 C32 -98.2(5) . . . . ?
Si4 C22 Si3 C32 37.8(5) . . . . ?
C10 C22 Si4 C35 -50.3(5) . . . . ?
Si3 C22 Si4 C35 170.5(4) . . . . ?
C10 C22 Si4 C34 70.6(5) . . . . ?
Si3 C22 Si4 C34 -68.5(5) . . . . ?
C10 C22 Si4 C33 -169.2(5) . . . . ?
Si3 C22 Si4 C33 51.7(5) . . . . ?
C12 C23 Si7 C42 -62.5(6) . . . . ?
Si5 C23 Si7 C42 179.8(4) . . . . ?
Si6 C23 Si7 C42 54.0(4) . . . . ?
C12 C23 Si7 C43 179.2(5) . . . . ?
Si5 C23 Si7 C43 61.6(5) . . . . ?
Si6 C23 Si7 C43 -64.3(5) . . . . ?
C12 C23 Si7 C44 60.2(6) . . . . ?
Si5 C23 Si7 C44 -57.5(5) . . . . ?
Si6 C23 Si7 C44 176.6(4) . . . . ?
C17 C16 C45 Si8 57.9(7) . . . . ?
C15 C16 C45 Si8 -120.9(5) . . . . ?
C17 C16 C45 Si9 -82.0(6) . . . . ?
C15 C16 C45 Si9 99.3(6) . . . . ?
C19 C20 C46 Si11 75.0(6) . . . . ?
C15 C20 C46 Si11 -105.2(6) . . . . ?
C19 C20 C46 Si10 -61.9(7) . . . . ?
C15 C20 C46 Si10 117.9(5) . . . . ?
C17 C18 C47 Si14 -2.1(8) . . . . ?
C19 C18 C47 Si14 179.7(4) . . . . ?
C17 C18 C47 Si12 -118.6(5) . . . . ?
C19 C18 C47 Si12 63.1(6) . . . . ?
C17 C18 C47 Si13 115.8(6) . . . . ?
C19 C18 C47 Si13 -62.4(6) . . . . ?
C16 C45 Si8 C49 -90.2(5) . . . . ?
Si9 C45 Si8 C49 45.3(5) . . . . ?
C16 C45 Si8 C48 32.9(5) . . . . ?
Si9 C45 Si8 C48 168.4(4) . . . . ?
C16 C45 Si8 C50 149.2(5) . . . . ?
Si9 C45 Si8 C50 -75.2(5) . . . . ?
C16 C45 Si9 C52 -57.9(5) . . . . ?
Si8 C45 Si9 C52 164.8(4) . . . . ?
C16 C45 Si9 C53 -177.5(5) . . . . ?
Si8 C45 Si9 C53 45.1(5) . . . . ?
C16 C45 Si9 C51 61.9(6) . . . . ?
Si8 C45 Si9 C51 -75.4(5) . . . . ?
C20 C46 Si11 C57 -63.6(5) . . . . ?
Si10 C46 Si11 C57 72.7(4) . . . . ?
C20 C46 Si11 C59 56.2(5) . . . . ?
Si10 C46 Si11 C59 -167.6(3) . . . . ?
C20 C46 Si11 C58 176.1(4) . . . . ?
Si10 C46 Si11 C58 -47.7(4) . . . . ?
C74 C69 C70 C71 0.0 . . . . ?
C69 C70 C71 C72 0.0 . . . . ?
C70 C71 C72 C73 0.0 . . . . ?
C71 C72 C73 C74 0.0 . . . . ?
C72 C73 C74 C69 0.0 . . . . ?
C70 C69 C74 C73 0.0 . . . . ?
C77 C75 C76 C79 0.0 . . . . ?
C75 C76 C79 C80 0.0 . . . . ?
C76 C79 C80 C78 0.0 . . . . ?
C79 C80 C78 C77 0.0 . . . . ?
C80 C78 C77 C75 0.0 . . . . ?
C76 C75 C77 C78 0.0 . . . . ?

_refine_diff_density_max         1.894
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.099

_shelxl_version_number           2013-3


####################################################################### 
# 
# 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_10b
_audit_block_doi                 10.5517/ccdc.csd.cc1q4jzc
_database_code_depnum_ccdc_archive 'CCDC 1583293'
_audit_update_record             
;
2017-11-01 deposited with the CCDC.
2017-12-11 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         'C56 H106 Ge2 Si8'
_chemical_formula_sum            'C56 H106 Ge2 Si8'
_chemical_formula_weight         1149.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   12.8999(4)
_cell_length_b                   16.6430(5)
_cell_length_c                   17.7075(6)
_cell_angle_alpha                88.806(2)
_cell_angle_beta                 75.528(3)
_cell_angle_gamma                67.210(3)
_cell_volume                     3381.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    39371
_cell_measurement_theta_min      1.710
_cell_measurement_theta_max      27.498

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.129
_exptl_crystal_F_000             1236
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    1.062
_shelx_estimated_absorpt_T_min   0.920
_shelx_estimated_absorpt_T_max   0.929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.919
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_process_details   
;
 MULABS - Empirical Correction for Absorption Anisotropy.
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            39371
_diffrn_reflns_av_unetI/netI     0.0742
_diffrn_reflns_av_R_equivalents  0.0536
_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       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.710
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_point_group_measured_fraction_full 0.984
_reflns_number_total             14783
_reflns_number_gt                10714
_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.
 
 _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       CrystalClear
_computing_cell_refinement       HKL2000
_computing_data_reduction        HKL2000
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_publication_material  
;
Yadokari-XG 2011 (Wakita,Nemoto et al., 2011)
;
_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)+(0.0534P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14783
_refine_ls_number_parameters     625
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0490
_refine_ls_wR_factor_ref         0.1135
_refine_ls_wR_factor_gt          0.1018
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_restrained_S_all      1.098
_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 0.58839(3) 0.28918(2) 0.76946(2) 0.01302(9) Uani 1 1 d . . . . .
Ge2 Ge 0.58941(3) 0.42335(2) 0.80381(2) 0.01342(9) Uani 1 1 d . . . . .
C1 C 0.4928(3) 0.40007(19) 0.90174(18) 0.0155(7) Uani 1 1 d . . . . .
H1 H 0.5138 0.4138 0.9485 0.019 Uiso 1 1 calc R U . . .
H1A H 0.4086 0.4340 0.9076 0.019 Uiso 1 1 calc R U . . .
C2 C 0.5257(3) 0.30038(19) 0.88785(18) 0.0152(7) Uani 1 1 d . . . . .
H2 H 0.5892 0.2663 0.9128 0.018 Uiso 1 1 calc R U . . .
C3 C 0.4245(3) 0.2726(2) 0.91322(18) 0.0166(7) Uani 1 1 d . . . . .
C4 C 0.3254(3) 0.3112(2) 0.8868(2) 0.0215(7) Uani 1 1 d . . . . .
H4 H 0.3222 0.3545 0.8506 0.026 Uiso 1 1 calc R U . . .
C5 C 0.2306(3) 0.2882(2) 0.9121(2) 0.0284(9) Uani 1 1 d . . . . .
H5 H 0.1633 0.3159 0.8934 0.034 Uiso 1 1 calc R U . . .
C6 C 0.2335(3) 0.2255(3) 0.9641(2) 0.0351(10) Uani 1 1 d . . . . .
H6 H 0.1686 0.2098 0.9815 0.042 Uiso 1 1 calc R U . . .
C7 C 0.3320(4) 0.1854(2) 0.9908(2) 0.0360(10) Uani 1 1 d . . . . .
H7 H 0.3350 0.1416 1.0264 0.043 Uiso 1 1 calc R U . . .
C8 C 0.4270(3) 0.2091(2) 0.9655(2) 0.0251(8) Uani 1 1 d . . . . .
H8 H 0.4941 0.1814 0.9844 0.030 Uiso 1 1 calc R U . . .
C9 C 0.6837(2) 0.17204(19) 0.71498(18) 0.0133(6) Uani 1 1 d . . . . .
C10 C 0.7854(3) 0.11403(19) 0.73484(18) 0.0137(6) Uani 1 1 d . . . . .
C11 C 0.8435(3) 0.0305(2) 0.69611(19) 0.0170(7) Uani 1 1 d . . . . .
H11 H 0.9134 -0.0075 0.7078 0.020 Uiso 1 1 calc R U . . .
C12 C 0.8039(3) -0.0001(2) 0.64110(18) 0.0166(7) Uani 1 1 d . . . . .
C13 C 0.7034(3) 0.05713(19) 0.62337(18) 0.0151(7) Uani 1 1 d . . . . .
H13 H 0.6747 0.0377 0.5860 0.018 Uiso 1 1 calc R U . . .
C14 C 0.6426(2) 0.14294(19) 0.65895(17) 0.0133(6) Uani 1 1 d . . . . .
C15 C 0.8329(3) 0.1370(2) 0.79778(18) 0.0155(7) Uani 1 1 d . . . . .
H15 H 0.7743 0.1961 0.8219 0.019 Uiso 1 1 calc R U . . .
Si1 Si 0.83188(8) 0.06256(6) 0.87986(6) 0.0211(2) Uani 1 1 d . . . . .
C16 C 0.7999(3) 0.1255(2) 0.9751(2) 0.0291(8) Uani 1 1 d . . . . .
H16 H 0.7229 0.1735 0.9851 0.044 Uiso 1 1 calc R U . . .
H16A H 0.8592 0.1493 0.9726 0.044 Uiso 1 1 calc R U . . .
H16B H 0.8009 0.0865 1.0174 0.044 Uiso 1 1 calc R U . . .
C17 C 0.9735(3) -0.0330(2) 0.8688(2) 0.0350(9) Uani 1 1 d . . . . .
H17 H 1.0354 -0.0121 0.8669 0.053 Uiso 1 1 calc R U . . .
H17A H 0.9920 -0.0689 0.8203 0.053 Uiso 1 1 calc R U . . .
H17B H 0.9675 -0.0683 0.9135 0.053 Uiso 1 1 calc R U . . .
C18 C 0.7159(3) 0.0198(2) 0.8861(2) 0.0344(9) Uani 1 1 d . . . . .
H18 H 0.6974 -0.0011 0.9378 0.052 Uiso 1 1 calc R U . . .
H18A H 0.7438 -0.0285 0.8457 0.052 Uiso 1 1 calc R U . . .
H18B H 0.6459 0.0667 0.8780 0.052 Uiso 1 1 calc R U . . .
Si2 Si 0.97202(8) 0.15389(6) 0.75389(6) 0.0197(2) Uani 1 1 d . . . . .
C19 C 0.9392(3) 0.2434(2) 0.6875(2) 0.0295(9) Uani 1 1 d . . . . .
H19 H 0.8868 0.2988 0.7185 0.044 Uiso 1 1 calc R U . . .
H19A H 0.9018 0.2304 0.6503 0.044 Uiso 1 1 calc R U . . .
H19B H 1.0119 0.2482 0.6588 0.044 Uiso 1 1 calc R U . . .
C20 C 1.0218(3) 0.1852(2) 0.8355(2) 0.0313(9) Uani 1 1 d . . . . .
H20 H 1.0900 0.1990 0.8135 0.047 Uiso 1 1 calc R U . . .
H20A H 1.0426 0.1364 0.8684 0.047 Uiso 1 1 calc R U . . .
H20B H 0.9589 0.2366 0.8673 0.047 Uiso 1 1 calc R U . . .
C21 C 1.0927(3) 0.0556(2) 0.6939(2) 0.0280(8) Uani 1 1 d . . . . .
H21 H 1.0712 0.0436 0.6474 0.042 Uiso 1 1 calc R U . . .
H21A H 1.1060 0.0050 0.7252 0.042 Uiso 1 1 calc R U . . .
H21B H 1.1640 0.0667 0.6779 0.042 Uiso 1 1 calc R U . . .
C22 C 0.8697(3) -0.0954(2) 0.6043(2) 0.0201(7) Uani 1 1 d . . . . .
C23 C 0.8706(3) -0.1570(2) 0.6704(2) 0.0292(9) Uani 1 1 d . . . . .
H23 H 0.9078 -0.1440 0.7078 0.044 Uiso 1 1 calc R U . . .
H23A H 0.9143 -0.2178 0.6481 0.044 Uiso 1 1 calc R U . . .
H23B H 0.7904 -0.1485 0.6973 0.044 Uiso 1 1 calc R U . . .
C24 C 0.9959(3) -0.1112(2) 0.5616(2) 0.0361(10) Uani 1 1 d . . . . .
H24 H 1.0345 -0.0994 0.5986 0.054 Uiso 1 1 calc R U . . .
H24A H 0.9963 -0.0722 0.5194 0.054 Uiso 1 1 calc R U . . .
H24B H 1.0376 -0.1721 0.5394 0.054 Uiso 1 1 calc R U . . .
C25 C 0.8121(3) -0.1178(2) 0.5466(2) 0.0276(8) Uani 1 1 d . . . . .
H25 H 0.8558 -0.1791 0.5257 0.041 Uiso 1 1 calc R U . . .
H25A H 0.8120 -0.0800 0.5034 0.041 Uiso 1 1 calc R U . . .
H25B H 0.7317 -0.1088 0.5735 0.041 Uiso 1 1 calc R U . . .
C26 C 0.5340(3) 0.20046(19) 0.63494(18) 0.0141(6) Uani 1 1 d . . . . .
H26 H 0.5024 0.2558 0.6697 0.017 Uiso 1 1 calc R U . . .
Si3 Si 0.41455(7) 0.15690(6) 0.66218(5) 0.0170(2) Uani 1 1 d . . . . .
C27 C 0.4236(3) 0.1019(2) 0.7544(2) 0.0243(8) Uani 1 1 d . . . . .
H27 H 0.3591 0.0826 0.7709 0.036 Uiso 1 1 calc R U . . .
H27A H 0.4185 0.1430 0.7953 0.036 Uiso 1 1 calc R U . . .
H27B H 0.4979 0.0511 0.7454 0.036 Uiso 1 1 calc R U . . .
C28 C 0.4247(3) 0.0784(2) 0.5842(2) 0.0258(8) Uani 1 1 d . . . . .
H28 H 0.5010 0.0295 0.5730 0.039 Uiso 1 1 calc R U . . .
H28A H 0.4150 0.1083 0.5366 0.039 Uiso 1 1 calc R U . . .
H28B H 0.3632 0.0562 0.6021 0.039 Uiso 1 1 calc R U . . .
C29 C 0.2691(3) 0.2499(2) 0.6798(2) 0.0262(8) Uani 1 1 d . . . . .
H29 H 0.2080 0.2270 0.6885 0.039 Uiso 1 1 calc R U . . .
H29A H 0.2667 0.2842 0.6341 0.039 Uiso 1 1 calc R U . . .
H29B H 0.2564 0.2873 0.7261 0.039 Uiso 1 1 calc R U . . .
Si4 Si 0.57538(8) 0.23469(6) 0.53308(5) 0.0174(2) Uani 1 1 d . . . . .
C30 C 0.4409(3) 0.3057(2) 0.5039(2) 0.0271(8) Uani 1 1 d . . . . .
H30 H 0.3962 0.3568 0.5420 0.041 Uiso 1 1 calc R U . . .
H30A H 0.3931 0.2723 0.5026 0.041 Uiso 1 1 calc R U . . .
H30B H 0.4630 0.3250 0.4519 0.041 Uiso 1 1 calc R U . . .
C31 C 0.6685(3) 0.2963(2) 0.5364(2) 0.0241(8) Uani 1 1 d . . . . .
H31 H 0.6935 0.3141 0.4842 0.036 Uiso 1 1 calc R U . . .
H31A H 0.7371 0.2588 0.5534 0.036 Uiso 1 1 calc R U . . .
H31B H 0.6237 0.3484 0.5734 0.036 Uiso 1 1 calc R U . . .
C32 C 0.6633(3) 0.1405(2) 0.45709(19) 0.0256(8) Uani 1 1 d . . . . .
H32 H 0.6798 0.1627 0.4057 0.038 Uiso 1 1 calc R U . . .
H32A H 0.6194 0.1041 0.4561 0.038 Uiso 1 1 calc R U . . .
H32B H 0.7368 0.1055 0.4697 0.038 Uiso 1 1 calc R U . . .
C33 C 0.5456(3) 0.54567(19) 0.77700(18) 0.0148(7) Uani 1 1 d . . . . .
C34 C 0.6336(3) 0.57944(19) 0.75710(18) 0.0141(6) Uani 1 1 d . . . . .
C35 C 0.6009(3) 0.6691(2) 0.75399(18) 0.0163(7) Uani 1 1 d . . . . .
H35 H 0.6601 0.6914 0.7420 0.020 Uiso 1 1 calc R U . . .
C36 C 0.4848(3) 0.72801(19) 0.76773(18) 0.0154(7) Uani 1 1 d . . . . .
C37 C 0.4007(3) 0.6931(2) 0.78234(18) 0.0165(7) Uani 1 1 d . . . . .
H37 H 0.3215 0.7314 0.7888 0.020 Uiso 1 1 calc R U . . .
C38 C 0.4283(3) 0.60337(19) 0.78794(18) 0.0142(7) Uani 1 1 d . . . . .
C39 C 0.7631(3) 0.5227(2) 0.74101(18) 0.0151(7) Uani 1 1 d . . . . .
H39 H 0.7673 0.4618 0.7478 0.018 Uiso 1 1 calc R U . . .
Si5 Si 0.84167(8) 0.52007(6) 0.63474(5) 0.0182(2) Uani 1 1 d . . . . .
C40 C 0.7826(3) 0.4689(2) 0.5727(2) 0.0286(8) Uani 1 1 d . . . . .
H40 H 0.8217 0.4680 0.5175 0.043 Uiso 1 1 calc R U . . .
H40A H 0.6987 0.5030 0.5818 0.043 Uiso 1 1 calc R U . . .
H40B H 0.7964 0.4090 0.5864 0.043 Uiso 1 1 calc R U . . .
C41 C 0.9994(3) 0.4538(3) 0.6196(2) 0.0298(9) Uani 1 1 d . . . . .
H41 H 1.0113 0.3939 0.6324 0.045 Uiso 1 1 calc R U . . .
H41A H 1.0302 0.4794 0.6535 0.045 Uiso 1 1 calc R U . . .
H41B H 1.0403 0.4531 0.5648 0.045 Uiso 1 1 calc R U . . .
C42 C 0.8242(3) 0.6315(2) 0.6021(2) 0.0325(9) Uani 1 1 d . . . . .
H42 H 0.8422 0.6632 0.6395 0.049 Uiso 1 1 calc R U . . .
H42A H 0.7437 0.6638 0.5994 0.049 Uiso 1 1 calc R U . . .
H42B H 0.8775 0.6255 0.5502 0.049 Uiso 1 1 calc R U . . .
Si6 Si 0.82603(7) 0.54623(6) 0.81948(5) 0.01606(19) Uani 1 1 d . . . . .
C43 C 0.7097(3) 0.5799(2) 0.91309(19) 0.0286(8) Uani 1 1 d . . . . .
H43 H 0.6806 0.5336 0.9259 0.043 Uiso 1 1 calc R U . . .
H43A H 0.6456 0.6339 0.9077 0.043 Uiso 1 1 calc R U . . .
H43B H 0.7415 0.5901 0.9551 0.043 Uiso 1 1 calc R U . . .
C44 C 0.9470(3) 0.4429(2) 0.8316(2) 0.0246(8) Uani 1 1 d . . . . .
H44 H 0.9809 0.4542 0.8718 0.037 Uiso 1 1 calc R U . . .
H44A H 1.0071 0.4225 0.7818 0.037 Uiso 1 1 calc R U . . .
H44B H 0.9161 0.3981 0.8474 0.037 Uiso 1 1 calc R U . . .
C45 C 0.8817(3) 0.6354(2) 0.7983(2) 0.0259(8) Uani 1 1 d . . . . .
H45 H 0.8181 0.6895 0.7927 0.039 Uiso 1 1 calc R U . . .
H45A H 0.9443 0.6183 0.7496 0.039 Uiso 1 1 calc R U . . .
H45B H 0.9118 0.6447 0.8415 0.039 Uiso 1 1 calc R U . . .
C46 C 0.4563(3) 0.82646(19) 0.76791(19) 0.0181(7) Uani 1 1 d . . . . .
C47 C 0.4934(3) 0.8543(2) 0.8356(2) 0.0273(8) Uani 1 1 d . . . . .
H47 H 0.4725 0.9176 0.8378 0.041 Uiso 1 1 calc R U . . .
H47A H 0.5778 0.8238 0.8272 0.041 Uiso 1 1 calc R U . . .
H47B H 0.4534 0.8393 0.8851 0.041 Uiso 1 1 calc R U . . .
C48 C 0.5234(3) 0.8463(2) 0.6904(2) 0.0242(8) Uani 1 1 d . . . . .
H48 H 0.5019 0.8270 0.6469 0.036 Uiso 1 1 calc R U . . .
H48A H 0.6073 0.8153 0.6842 0.036 Uiso 1 1 calc R U . . .
H48B H 0.5038 0.9094 0.6906 0.036 Uiso 1 1 calc R U . . .
C49 C 0.3261(3) 0.8802(2) 0.7792(2) 0.0232(8) Uani 1 1 d . . . . .
H49 H 0.3003 0.8620 0.7374 0.035 Uiso 1 1 calc R U . . .
H49A H 0.3118 0.9424 0.7774 0.035 Uiso 1 1 calc R U . . .
H49B H 0.2826 0.8707 0.8301 0.035 Uiso 1 1 calc R U . . .
C50 C 0.3291(2) 0.57280(19) 0.80190(18) 0.0132(6) Uani 1 1 d . . . . .
H50 H 0.3662 0.5095 0.8104 0.016 Uiso 1 1 calc R U . . .
Si7 Si 0.28603(8) 0.57145(6) 0.70767(5) 0.0187(2) Uani 1 1 d . . . . .
C51 C 0.2249(3) 0.4861(3) 0.7098(2) 0.0334(9) Uani 1 1 d . . . . .
H51 H 0.2150 0.4768 0.6581 0.050 Uiso 1 1 calc R U . . .
H51A H 0.1492 0.5055 0.7487 0.050 Uiso 1 1 calc R U . . .
H51B H 0.2785 0.4312 0.7238 0.050 Uiso 1 1 calc R U . . .
C52 C 0.4208(3) 0.5362(2) 0.6249(2) 0.0264(8) Uani 1 1 d . . . . .
H52 H 0.4781 0.4807 0.6349 0.040 Uiso 1 1 calc R U . . .
H52A H 0.4534 0.5808 0.6202 0.040 Uiso 1 1 calc R U . . .
H52B H 0.4015 0.5284 0.5761 0.040 Uiso 1 1 calc R U . . .
C53 C 0.1795(3) 0.6788(2) 0.6890(2) 0.0352(9) Uani 1 1 d . . . . .
H53 H 0.2121 0.7232 0.6882 0.053 Uiso 1 1 calc R U . . .
H53A H 0.1068 0.6962 0.7306 0.053 Uiso 1 1 calc R U . . .
H53B H 0.1639 0.6733 0.6384 0.053 Uiso 1 1 calc R U . . .
Si8 Si 0.21408(7) 0.62286(6) 0.89791(5) 0.01663(19) Uani 1 1 d . . . . .
C54 C 0.2905(3) 0.6290(2) 0.9733(2) 0.0234(8) Uani 1 1 d . . . . .
H54 H 0.2331 0.6529 1.0238 0.035 Uiso 1 1 calc R U . . .
H54A H 0.3328 0.6669 0.9572 0.035 Uiso 1 1 calc R U . . .
H54B H 0.3456 0.5702 0.9785 0.035 Uiso 1 1 calc R U . . .
C55 C 0.1041(3) 0.7355(2) 0.8954(2) 0.0262(8) Uani 1 1 d . . . . .
H55 H 0.0590 0.7340 0.8587 0.039 Uiso 1 1 calc R U . . .
H55A H 0.1441 0.7748 0.8783 0.039 Uiso 1 1 calc R U . . .
H55B H 0.0514 0.7567 0.9478 0.039 Uiso 1 1 calc R U . . .
C56 C 0.1296(3) 0.5530(2) 0.9289(2) 0.0214(7) Uani 1 1 d . . . . .
H56 H 0.1823 0.4947 0.9374 0.032 Uiso 1 1 calc R U . . .
H56A H 0.0930 0.5480 0.8879 0.032 Uiso 1 1 calc R U . . .
H56B H 0.0692 0.5798 0.9776 0.032 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 C9 1.968(3) . ?
Ge1 C2 2.034(3) . ?
Ge1 Ge2 2.3323(4) . ?
Ge2 C33 1.973(3) . ?
Ge2 C1 1.994(3) . ?
C1 C2 1.553(4) . ?
C1 H1 0.9900 . ?
C1 H1A 0.9900 . ?
C2 C3 1.512(4) . ?
C2 H2 1.0000 . ?
C3 C4 1.384(4) . ?
C3 C8 1.387(4) . ?
C4 C5 1.388(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.372(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.383(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.397(5) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C14 1.407(4) . ?
C9 C10 1.418(4) . ?
C10 C11 1.394(4) . ?
C10 C15 1.518(4) . ?
C11 C12 1.392(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.386(4) . ?
C12 C22 1.544(4) . ?
C13 C14 1.405(4) . ?
C13 H13 0.9500 . ?
C14 C26 1.518(4) . ?
C15 Si1 1.891(3) . ?
C15 Si2 1.894(3) . ?
C15 H15 1.0000 . ?
Si1 C17 1.868(4) . ?
Si1 C18 1.869(4) . ?
Si1 C16 1.871(3) . ?
C16 H16 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C17 H17 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C18 H18 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
Si2 C19 1.862(4) . ?
Si2 C21 1.871(3) . ?
Si2 C20 1.879(4) . ?
C19 H19 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C20 H20 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C21 H21 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C22 C25 1.533(5) . ?
C22 C24 1.535(5) . ?
C22 C23 1.538(5) . ?
C23 H23 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C24 H24 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C25 H25 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C26 Si4 1.891(3) . ?
C26 Si3 1.900(3) . ?
C26 H26 1.0000 . ?
Si3 C27 1.862(3) . ?
Si3 C28 1.866(3) . ?
Si3 C29 1.869(3) . ?
C27 H27 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C28 H28 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C29 H29 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
Si4 C31 1.868(3) . ?
Si4 C32 1.871(3) . ?
Si4 C30 1.873(3) . ?
C30 H30 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C31 H31 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C32 H32 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C33 C38 1.408(4) . ?
C33 C34 1.420(4) . ?
C34 C35 1.388(4) . ?
C34 C39 1.522(4) . ?
C35 C36 1.397(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.387(4) . ?
C36 C46 1.534(4) . ?
C37 C38 1.403(4) . ?
C37 H37 0.9500 . ?
C38 C50 1.516(4) . ?
C39 Si6 1.891(3) . ?
C39 Si5 1.894(3) . ?
C39 H39 1.0000 . ?
Si5 C41 1.852(3) . ?
Si5 C40 1.862(3) . ?
Si5 C42 1.876(4) . ?
C40 H40 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C41 H41 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C42 H42 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
Si6 C43 1.860(3) . ?
Si6 C44 1.873(3) . ?
Si6 C45 1.877(3) . ?
C43 H43 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C44 H44 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C45 H45 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C46 C49 1.529(4) . ?
C46 C48 1.533(4) . ?
C46 C47 1.537(4) . ?
C47 H47 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C48 H48 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C49 H49 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C50 Si7 1.889(3) . ?
C50 Si8 1.905(3) . ?
C50 H50 1.0000 . ?
Si7 C52 1.867(3) . ?
Si7 C53 1.868(4) . ?
Si7 C51 1.869(4) . ?
C51 H51 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C52 H52 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C53 H53 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
Si8 C56 1.869(3) . ?
Si8 C55 1.870(3) . ?
Si8 C54 1.873(3) . ?
C54 H54 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C55 H55 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C56 H56 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 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
C9 Ge1 C2 118.84(12) . . ?
C9 Ge1 Ge2 144.94(9) . . ?
C2 Ge1 Ge2 78.24(8) . . ?
C33 Ge2 C1 117.64(12) . . ?
C33 Ge2 Ge1 143.26(9) . . ?
C1 Ge2 Ge1 77.40(9) . . ?
C2 C1 Ge2 101.68(19) . . ?
C2 C1 H1 111.4 . . ?
Ge2 C1 H1 111.4 . . ?
C2 C1 H1A 111.4 . . ?
Ge2 C1 H1A 111.4 . . ?
H1 C1 H1A 109.3 . . ?
C3 C2 C1 114.7(2) . . ?
C3 C2 Ge1 112.3(2) . . ?
C1 C2 Ge1 97.62(19) . . ?
C3 C2 H2 110.5 . . ?
C1 C2 H2 110.5 . . ?
Ge1 C2 H2 110.5 . . ?
C4 C3 C8 117.9(3) . . ?
C4 C3 C2 121.2(3) . . ?
C8 C3 C2 120.8(3) . . ?
C3 C4 C5 121.5(3) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 H4 119.3 . . ?
C6 C5 C4 120.3(3) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 119.4(3) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C6 C7 C8 120.2(4) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C3 C8 C7 120.8(3) . . ?
C3 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C14 C9 C10 119.4(3) . . ?
C14 C9 Ge1 117.8(2) . . ?
C10 C9 Ge1 122.6(2) . . ?
C11 C10 C9 118.5(3) . . ?
C11 C10 C15 117.9(3) . . ?
C9 C10 C15 123.6(3) . . ?
C12 C11 C10 123.1(3) . . ?
C12 C11 H11 118.4 . . ?
C10 C11 H11 118.4 . . ?
C13 C12 C11 117.5(3) . . ?
C13 C12 C22 122.7(3) . . ?
C11 C12 C22 119.8(3) . . ?
C12 C13 C14 122.0(3) . . ?
C12 C13 H13 119.0 . . ?
C14 C13 H13 119.0 . . ?
C13 C14 C9 119.4(3) . . ?
C13 C14 C26 117.8(3) . . ?
C9 C14 C26 122.8(3) . . ?
C10 C15 Si1 111.3(2) . . ?
C10 C15 Si2 111.5(2) . . ?
Si1 C15 Si2 117.97(16) . . ?
C10 C15 H15 104.9 . . ?
Si1 C15 H15 104.9 . . ?
Si2 C15 H15 104.9 . . ?
C17 Si1 C18 108.05(18) . . ?
C17 Si1 C16 107.03(17) . . ?
C18 Si1 C16 108.33(17) . . ?
C17 Si1 C15 113.63(16) . . ?
C18 Si1 C15 110.08(16) . . ?
C16 Si1 C15 109.55(15) . . ?
Si1 C16 H16 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
H16 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C17 H17 109.5 . . ?
Si1 C17 H17A 109.5 . . ?
H17 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
H17 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si1 C18 H18 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
H18 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
H18 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C19 Si2 C21 107.03(17) . . ?
C19 Si2 C20 110.36(17) . . ?
C21 Si2 C20 109.08(17) . . ?
C19 Si2 C15 107.93(15) . . ?
C21 Si2 C15 113.86(15) . . ?
C20 Si2 C15 108.56(15) . . ?
Si2 C19 H19 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
H19 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C20 H20 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
H20 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
H20 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si2 C21 H21 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
H21 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C25 C22 C24 108.9(3) . . ?
C25 C22 C23 108.2(3) . . ?
C24 C22 C23 108.8(3) . . ?
C25 C22 C12 112.5(3) . . ?
C24 C22 C12 109.9(3) . . ?
C23 C22 C12 108.5(3) . . ?
C22 C23 H23 109.5 . . ?
C22 C23 H23A 109.5 . . ?
H23 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C24 H24 109.5 . . ?
C22 C24 H24A 109.5 . . ?
H24 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C25 H25 109.5 . . ?
C22 C25 H25A 109.5 . . ?
H25 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C14 C26 Si4 110.1(2) . . ?
C14 C26 Si3 112.3(2) . . ?
Si4 C26 Si3 120.15(16) . . ?
C14 C26 H26 104.2 . . ?
Si4 C26 H26 104.2 . . ?
Si3 C26 H26 104.2 . . ?
C27 Si3 C28 109.38(16) . . ?
C27 Si3 C29 108.44(16) . . ?
C28 Si3 C29 107.80(16) . . ?
C27 Si3 C26 108.75(15) . . ?
C28 Si3 C26 112.87(15) . . ?
C29 Si3 C26 109.51(14) . . ?
Si3 C27 H27 109.5 . . ?
Si3 C27 H27A 109.5 . . ?
H27 C27 H27A 109.5 . . ?
Si3 C27 H27B 109.5 . . ?
H27 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si3 C28 H28 109.5 . . ?
Si3 C28 H28A 109.5 . . ?
H28 C28 H28A 109.5 . . ?
Si3 C28 H28B 109.5 . . ?
H28 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si3 C29 H29 109.5 . . ?
Si3 C29 H29A 109.5 . . ?
H29 C29 H29A 109.5 . . ?
Si3 C29 H29B 109.5 . . ?
H29 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C31 Si4 C32 106.96(16) . . ?
C31 Si4 C30 110.62(16) . . ?
C32 Si4 C30 108.84(16) . . ?
C31 Si4 C26 106.89(14) . . ?
C32 Si4 C26 113.64(15) . . ?
C30 Si4 C26 109.84(15) . . ?
Si4 C30 H30 109.5 . . ?
Si4 C30 H30A 109.5 . . ?
H30 C30 H30A 109.5 . . ?
Si4 C30 H30B 109.5 . . ?
H30 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si4 C31 H31 109.5 . . ?
Si4 C31 H31A 109.5 . . ?
H31 C31 H31A 109.5 . . ?
Si4 C31 H31B 109.5 . . ?
H31 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si4 C32 H32 109.5 . . ?
Si4 C32 H32A 109.5 . . ?
H32 C32 H32A 109.5 . . ?
Si4 C32 H32B 109.5 . . ?
H32 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C38 C33 C34 119.0(3) . . ?
C38 C33 Ge2 121.8(2) . . ?
C34 C33 Ge2 118.5(2) . . ?
C35 C34 C33 118.9(3) . . ?
C35 C34 C39 117.6(3) . . ?
C33 C34 C39 123.4(3) . . ?
C34 C35 C36 123.0(3) . . ?
C34 C35 H35 118.5 . . ?
C36 C35 H35 118.5 . . ?
C37 C36 C35 117.1(3) . . ?
C37 C36 C46 123.5(3) . . ?
C35 C36 C46 119.4(3) . . ?
C36 C37 C38 122.3(3) . . ?
C36 C37 H37 118.8 . . ?
C38 C37 H37 118.8 . . ?
C37 C38 C33 119.5(3) . . ?
C37 C38 C50 117.4(3) . . ?
C33 C38 C50 123.0(3) . . ?
C34 C39 Si6 111.2(2) . . ?
C34 C39 Si5 111.4(2) . . ?
Si6 C39 Si5 118.64(16) . . ?
C34 C39 H39 104.8 . . ?
Si6 C39 H39 104.8 . . ?
Si5 C39 H39 104.8 . . ?
C41 Si5 C40 109.30(17) . . ?
C41 Si5 C42 107.87(18) . . ?
C40 Si5 C42 108.41(17) . . ?
C41 Si5 C39 109.42(15) . . ?
C40 Si5 C39 108.59(15) . . ?
C42 Si5 C39 113.19(15) . . ?
Si5 C40 H40 109.5 . . ?
Si5 C40 H40A 109.5 . . ?
H40 C40 H40A 109.5 . . ?
Si5 C40 H40B 109.5 . . ?
H40 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si5 C41 H41 109.5 . . ?
Si5 C41 H41A 109.5 . . ?
H41 C41 H41A 109.5 . . ?
Si5 C41 H41B 109.5 . . ?
H41 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si5 C42 H42 109.5 . . ?
Si5 C42 H42A 109.5 . . ?
H42 C42 H42A 109.5 . . ?
Si5 C42 H42B 109.5 . . ?
H42 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C43 Si6 C44 108.48(16) . . ?
C43 Si6 C45 108.17(17) . . ?
C44 Si6 C45 109.60(16) . . ?
C43 Si6 C39 108.20(15) . . ?
C44 Si6 C39 108.48(15) . . ?
C45 Si6 C39 113.79(15) . . ?
Si6 C43 H43 109.5 . . ?
Si6 C43 H43A 109.5 . . ?
H43 C43 H43A 109.5 . . ?
Si6 C43 H43B 109.5 . . ?
H43 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si6 C44 H44 109.5 . . ?
Si6 C44 H44A 109.5 . . ?
H44 C44 H44A 109.5 . . ?
Si6 C44 H44B 109.5 . . ?
H44 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si6 C45 H45 109.5 . . ?
Si6 C45 H45A 109.5 . . ?
H45 C45 H45A 109.5 . . ?
Si6 C45 H45B 109.5 . . ?
H45 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C49 C46 C48 108.7(3) . . ?
C49 C46 C36 112.0(3) . . ?
C48 C46 C36 109.9(3) . . ?
C49 C46 C47 108.3(3) . . ?
C48 C46 C47 109.1(3) . . ?
C36 C46 C47 108.7(3) . . ?
C46 C47 H47 109.5 . . ?
C46 C47 H47A 109.5 . . ?
H47 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C48 H48 109.5 . . ?
C46 C48 H48A 109.5 . . ?
H48 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C49 H49 109.5 . . ?
C46 C49 H49A 109.5 . . ?
H49 C49 H49A 109.5 . . ?
C46 C49 H49B 109.5 . . ?
H49 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C38 C50 Si7 109.3(2) . . ?
C38 C50 Si8 113.0(2) . . ?
Si7 C50 Si8 120.82(15) . . ?
C38 C50 H50 103.9 . . ?
Si7 C50 H50 103.9 . . ?
Si8 C50 H50 103.9 . . ?
C52 Si7 C53 108.87(17) . . ?
C52 Si7 C51 107.00(17) . . ?
C53 Si7 C51 110.02(18) . . ?
C52 Si7 C50 108.24(14) . . ?
C53 Si7 C50 114.41(16) . . ?
C51 Si7 C50 108.02(15) . . ?
Si7 C51 H51 109.5 . . ?
Si7 C51 H51A 109.5 . . ?
H51 C51 H51A 109.5 . . ?
Si7 C51 H51B 109.5 . . ?
H51 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Si7 C52 H52 109.5 . . ?
Si7 C52 H52A 109.5 . . ?
H52 C52 H52A 109.5 . . ?
Si7 C52 H52B 109.5 . . ?
H52 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si7 C53 H53 109.5 . . ?
Si7 C53 H53A 109.5 . . ?
H53 C53 H53A 109.5 . . ?
Si7 C53 H53B 109.5 . . ?
H53 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C56 Si8 C55 106.09(15) . . ?
C56 Si8 C54 110.16(16) . . ?
C55 Si8 C54 107.30(16) . . ?
C56 Si8 C50 109.70(14) . . ?
C55 Si8 C50 115.53(15) . . ?
C54 Si8 C50 107.99(14) . . ?
Si8 C54 H54 109.5 . . ?
Si8 C54 H54A 109.5 . . ?
H54 C54 H54A 109.5 . . ?
Si8 C54 H54B 109.5 . . ?
H54 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
Si8 C55 H55 109.5 . . ?
Si8 C55 H55A 109.5 . . ?
H55 C55 H55A 109.5 . . ?
Si8 C55 H55B 109.5 . . ?
H55 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
Si8 C56 H56 109.5 . . ?
Si8 C56 H56A 109.5 . . ?
H56 C56 H56A 109.5 . . ?
Si8 C56 H56B 109.5 . . ?
H56 C56 H56B 109.5 . . ?
H56A C56 H56B 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
Ge2 C1 C2 C3 -139.0(2) . . . . ?
Ge2 C1 C2 Ge1 -20.05(18) . . . . ?
C1 C2 C3 C4 53.6(4) . . . . ?
Ge1 C2 C3 C4 -56.7(3) . . . . ?
C1 C2 C3 C8 -124.6(3) . . . . ?
Ge1 C2 C3 C8 125.2(3) . . . . ?
C8 C3 C4 C5 0.6(5) . . . . ?
C2 C3 C4 C5 -177.7(3) . . . . ?
C3 C4 C5 C6 -0.3(5) . . . . ?
C4 C5 C6 C7 -0.2(5) . . . . ?
C5 C6 C7 C8 0.5(6) . . . . ?
C4 C3 C8 C7 -0.2(5) . . . . ?
C2 C3 C8 C7 178.0(3) . . . . ?
C6 C7 C8 C3 -0.3(5) . . . . ?
C14 C9 C10 C11 2.0(4) . . . . ?
Ge1 C9 C10 C11 176.3(2) . . . . ?
C14 C9 C10 C15 -176.3(3) . . . . ?
Ge1 C9 C10 C15 -2.0(4) . . . . ?
C9 C10 C11 C12 -2.7(5) . . . . ?
C15 C10 C11 C12 175.7(3) . . . . ?
C10 C11 C12 C13 1.7(5) . . . . ?
C10 C11 C12 C22 -176.5(3) . . . . ?
C11 C12 C13 C14 0.0(5) . . . . ?
C22 C12 C13 C14 178.2(3) . . . . ?
C12 C13 C14 C9 -0.7(5) . . . . ?
C12 C13 C14 C26 179.6(3) . . . . ?
C10 C9 C14 C13 -0.3(4) . . . . ?
Ge1 C9 C14 C13 -175.0(2) . . . . ?
C10 C9 C14 C26 179.4(3) . . . . ?
Ge1 C9 C14 C26 4.8(4) . . . . ?
C11 C10 C15 Si1 -60.7(3) . . . . ?
C9 C10 C15 Si1 117.6(3) . . . . ?
C11 C10 C15 Si2 73.3(3) . . . . ?
C9 C10 C15 Si2 -108.4(3) . . . . ?
C10 C15 Si1 C17 95.0(2) . . . . ?
Si2 C15 Si1 C17 -35.7(2) . . . . ?
C10 C15 Si1 C18 -26.3(3) . . . . ?
Si2 C15 Si1 C18 -157.04(18) . . . . ?
C10 C15 Si1 C16 -145.3(2) . . . . ?
Si2 C15 Si1 C16 83.9(2) . . . . ?
C10 C15 Si2 C19 58.7(2) . . . . ?
Si1 C15 Si2 C19 -170.62(18) . . . . ?
C10 C15 Si2 C21 -59.9(3) . . . . ?
Si1 C15 Si2 C21 70.7(2) . . . . ?
C10 C15 Si2 C20 178.4(2) . . . . ?
Si1 C15 Si2 C20 -51.0(2) . . . . ?
C13 C12 C22 C25 0.7(4) . . . . ?
C11 C12 C22 C25 178.8(3) . . . . ?
C13 C12 C22 C24 122.1(3) . . . . ?
C11 C12 C22 C24 -59.8(4) . . . . ?
C13 C12 C22 C23 -119.0(3) . . . . ?
C11 C12 C22 C23 59.1(4) . . . . ?
C13 C14 C26 Si4 -72.8(3) . . . . ?
C9 C14 C26 Si4 107.5(3) . . . . ?
C13 C14 C26 Si3 63.9(3) . . . . ?
C9 C14 C26 Si3 -115.8(3) . . . . ?
C14 C26 Si4 C31 -59.9(2) . . . . ?
Si3 C26 Si4 C31 167.29(17) . . . . ?
C14 C26 Si4 C32 57.8(2) . . . . ?
Si3 C26 Si4 C32 -75.0(2) . . . . ?
C14 C26 Si4 C30 -180.0(2) . . . . ?
Si3 C26 Si4 C30 47.2(2) . . . . ?
C38 C33 C34 C35 4.1(4) . . . . ?
Ge2 C33 C34 C35 -166.8(2) . . . . ?
C38 C33 C34 C39 -177.7(3) . . . . ?
Ge2 C33 C34 C39 11.4(4) . . . . ?
C33 C34 C35 C36 -1.6(5) . . . . ?
C39 C34 C35 C36 -179.9(3) . . . . ?
C34 C35 C36 C37 -2.3(5) . . . . ?
C34 C35 C36 C46 176.3(3) . . . . ?
C35 C36 C37 C38 3.7(5) . . . . ?
C46 C36 C37 C38 -174.8(3) . . . . ?
C36 C37 C38 C33 -1.2(5) . . . . ?
C36 C37 C38 C50 -178.4(3) . . . . ?
C34 C33 C38 C37 -2.8(5) . . . . ?
Ge2 C33 C38 C37 167.9(2) . . . . ?
C34 C33 C38 C50 174.2(3) . . . . ?
Ge2 C33 C38 C50 -15.2(4) . . . . ?
C35 C34 C39 Si6 65.6(3) . . . . ?
C33 C34 C39 Si6 -112.6(3) . . . . ?
C35 C34 C39 Si5 -69.1(3) . . . . ?
C33 C34 C39 Si5 112.7(3) . . . . ?
C34 C39 Si5 C41 177.7(2) . . . . ?
Si6 C39 Si5 C41 46.8(2) . . . . ?
C34 C39 Si5 C40 -63.0(2) . . . . ?
Si6 C39 Si5 C40 166.03(18) . . . . ?
C34 C39 Si5 C42 57.4(3) . . . . ?
Si6 C39 Si5 C42 -73.5(2) . . . . ?
C34 C39 Si6 C43 30.8(3) . . . . ?
Si5 C39 Si6 C43 161.81(18) . . . . ?
C34 C39 Si6 C44 148.3(2) . . . . ?
Si5 C39 Si6 C44 -80.7(2) . . . . ?
C34 C39 Si6 C45 -89.5(2) . . . . ?
Si5 C39 Si6 C45 41.6(2) . . . . ?
C37 C36 C46 C49 -4.8(4) . . . . ?
C35 C36 C46 C49 176.7(3) . . . . ?
C37 C36 C46 C48 -125.7(3) . . . . ?
C35 C36 C46 C48 55.8(4) . . . . ?
C37 C36 C46 C47 114.9(3) . . . . ?
C35 C36 C46 C47 -63.6(4) . . . . ?
C37 C38 C50 Si7 76.3(3) . . . . ?
C33 C38 C50 Si7 -100.8(3) . . . . ?
C37 C38 C50 Si8 -61.3(3) . . . . ?
C33 C38 C50 Si8 121.7(3) . . . . ?
C38 C50 Si7 C52 36.3(2) . . . . ?
Si8 C50 Si7 C52 170.03(18) . . . . ?
C38 C50 Si7 C53 -85.2(2) . . . . ?
Si8 C50 Si7 C53 48.5(2) . . . . ?
C38 C50 Si7 C51 151.9(2) . . . . ?
Si8 C50 Si7 C51 -74.4(2) . . . . ?

_refine_diff_density_max         0.538
_refine_diff_density_min         -0.560
_refine_diff_density_rms         0.125





####################################################################### 
# 
# 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_11
_audit_block_doi                 10.5517/ccdc.csd.cc1q4jyb
_database_code_depnum_ccdc_archive 'CCDC 1583292'
_audit_update_record             
;
2017-11-01 deposited with the CCDC.
2017-12-11 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         'C66 H146 Ge2 Si14'
_chemical_formula_sum            'C66 H146 Ge2 Si14'
_chemical_formula_weight         1478.26

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'
Si Si 0.0817 0.0704 '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                   14.6873(2)
_cell_length_b                   17.2952(3)
_cell_length_c                   18.3289(3)
_cell_angle_alpha                92.5020(10)
_cell_angle_beta                 104.9460(10)
_cell_angle_gamma                91.1600(10)
_cell_volume                     4491.71(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    55433
_cell_measurement_theta_min      1.179
_cell_measurement_theta_max      26.00

_exptl_crystal_description       prism
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_F_000             1604
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    0.888
_shelx_estimated_absorpt_T_min   0.886
_shelx_estimated_absorpt_T_max   0.909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.883
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_process_details   
;
 MULABS - Empirical Correction for Absorption Anisotropy.
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            55433
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.179
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             17489
_reflns_number_gt                14365
_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.
 
 _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       CrystalClear
_computing_cell_refinement       HKL2000
_computing_data_reduction        HKL2000
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_publication_material  
;Yadokari-XG 2011 (Wakita,Nemoto et al., 2011)
;
_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)+(0.0264P)²+7.4666P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17489
_refine_ls_number_parameters     795
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1017
_refine_ls_wR_factor_gt          0.0924
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.091
_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 0.37966(2) 0.32704(2) 0.71439(2) 0.01960(8) Uani 1 1 d . . . . .
Ge2 Ge 0.41967(2) 0.19445(2) 0.72216(2) 0.02069(8) Uani 1 1 d . . . . .
C1 C 0.3007(2) 0.27726(17) 0.61552(17) 0.0251(6) Uani 1 1 d . . . . .
H1 H 0.3027 0.3110 0.5730 0.030 Uiso 1 1 calc R U . . .
C2 C 0.3591(2) 0.20455(18) 0.61121(17) 0.0288(7) Uani 1 1 d . . . . .
H2 H 0.4066 0.2132 0.5824 0.035 Uiso 1 1 calc R U . . .
H3 H 0.3185 0.1587 0.5888 0.035 Uiso 1 1 calc R U . . .
C3 C 0.1985(2) 0.2579(2) 0.61422(19) 0.0328(7) Uani 1 1 d . . . . .
H4 H 0.1696 0.3053 0.6291 0.039 Uiso 0.918(8) 1 calc R U P A 1
H5 H 0.1977 0.2192 0.6523 0.039 Uiso 0.918(8) 1 calc R U P A 1
H6 H 0.1784 0.3025 0.6413 0.039 Uiso 0.082(8) 1 calc R U P A 2
H7 H 0.2016 0.2138 0.6473 0.039 Uiso 0.082(8) 1 calc R U P A 2
C4 C 0.1383(4) 0.2260(3) 0.5371(4) 0.0406(13) Uani 0.918(8) 1 d D U P A 1
H8 H 0.1378 0.2648 0.4988 0.049 Uiso 0.918(8) 1 calc R U P A 1
H9 H 0.1668 0.1786 0.5216 0.049 Uiso 0.918(8) 1 calc R U P A 1
C5 C 0.0372(4) 0.2069(4) 0.5395(6) 0.079(2) Uani 0.918(8) 1 d D U P A 1
H10 H 0.0391 0.1721 0.5813 0.095 Uiso 0.918(8) 1 calc R U P A 1
H11 H 0.0080 0.2554 0.5512 0.095 Uiso 0.918(8) 1 calc R U P A 1
C6 C -0.0238(5) 0.1695(4) 0.4685(4) 0.115(3) Uani 0.918(8) 1 d D U P A 1
H12 H -0.0871 0.1593 0.4750 0.173 Uiso 0.918(8) 1 calc R U P A 1
H13 H -0.0278 0.2040 0.4269 0.173 Uiso 0.918(8) 1 calc R U P A 1
H14 H 0.0033 0.1206 0.4570 0.173 Uiso 0.918(8) 1 calc R U P A 1
C7 C 0.30750(18) 0.40574(15) 0.75553(15) 0.0156(5) Uani 1 1 d . . . . .
C8 C 0.25754(18) 0.39172(15) 0.81010(15) 0.0159(5) Uani 1 1 d . . . . .
C9 C 0.19227(19) 0.44625(16) 0.82190(14) 0.0164(5) Uani 1 1 d . . . . .
H15 H 0.1586 0.4364 0.8585 0.020 Uiso 1 1 calc R U . . .
C10 C 0.17441(18) 0.51396(15) 0.78263(15) 0.0163(5) Uani 1 1 d . . . . .
C11 C 0.23132(19) 0.52829(15) 0.73305(14) 0.0157(5) Uani 1 1 d . . . . .
H16 H 0.2243 0.5755 0.7078 0.019 Uiso 1 1 calc R U . . .
C12 C 0.29751(19) 0.47663(16) 0.71908(14) 0.0166(5) Uani 1 1 d . . . . .
C13 C 0.27566(19) 0.32131(16) 0.85812(15) 0.0193(6) Uani 1 1 d . . . . .
H17 H 0.3064 0.2843 0.8292 0.023 Uiso 1 1 calc R U . . .
Si1 Si 0.16716(6) 0.26586(5) 0.86794(5) 0.02107(17) Uani 1 1 d . . . . .
C14 C 0.0741(2) 0.26355(18) 0.77642(17) 0.0268(7) Uani 1 1 d . . . . .
H18 H 0.0552 0.3165 0.7642 0.040 Uiso 1 1 calc R U . . .
H19 H 0.0991 0.2403 0.7361 0.040 Uiso 1 1 calc R U . . .
H20 H 0.0193 0.2327 0.7809 0.040 Uiso 1 1 calc R U . . .
C15 C 0.1988(2) 0.16292(18) 0.8866(2) 0.0357(8) Uani 1 1 d . . . . .
H21 H 0.2477 0.1612 0.9343 0.054 Uiso 1 1 calc R U . . .
H22 H 0.1428 0.1330 0.8900 0.054 Uiso 1 1 calc R U . . .
H23 H 0.2225 0.1407 0.8452 0.054 Uiso 1 1 calc R U . . .
C16 C 0.1207(2) 0.30479(18) 0.94825(17) 0.0276(7) Uani 1 1 d . . . . .
H24 H 0.1708 0.3054 0.9954 0.041 Uiso 1 1 calc R U . . .
H25 H 0.0995 0.3576 0.9385 0.041 Uiso 1 1 calc R U . . .
H26 H 0.0676 0.2717 0.9527 0.041 Uiso 1 1 calc R U . . .
Si2 Si 0.37048(6) 0.34749(5) 0.94858(5) 0.02416(18) Uani 1 1 d . . . . .
C17 C 0.4842(2) 0.3641(2) 0.9233(2) 0.0410(9) Uani 1 1 d . . . . .
H27 H 0.5000 0.3170 0.8981 0.062 Uiso 1 1 calc R U . . .
H28 H 0.4781 0.4069 0.8891 0.062 Uiso 1 1 calc R U . . .
H29 H 0.5343 0.3772 0.9693 0.062 Uiso 1 1 calc R U . . .
C18 C 0.3889(3) 0.2681(2) 1.01650(19) 0.0380(8) Uani 1 1 d . . . . .
H30 H 0.4041 0.2206 0.9917 0.057 Uiso 1 1 calc R U . . .
H31 H 0.4410 0.2830 1.0606 0.057 Uiso 1 1 calc R U . . .
H32 H 0.3312 0.2591 1.0328 0.057 Uiso 1 1 calc R U . . .
C19 C 0.3417(3) 0.4375(2) 0.99625(19) 0.0389(9) Uani 1 1 d . . . . .
H33 H 0.2820 0.4294 1.0098 0.058 Uiso 1 1 calc R U . . .
H34 H 0.3921 0.4505 1.0421 0.058 Uiso 1 1 calc R U . . .
H35 H 0.3358 0.4801 0.9619 0.058 Uiso 1 1 calc R U . . .
C20 C 0.09609(19) 0.57093(16) 0.78878(15) 0.0186(6) Uani 1 1 d . . . . .
Si3 Si 0.02712(6) 0.54452(5) 0.86085(4) 0.02059(17) Uani 1 1 d . . . . .
C21 C 0.1074(2) 0.54290(18) 0.95895(17) 0.0269(7) Uani 1 1 d . . . . .
H36 H 0.1421 0.5927 0.9721 0.040 Uiso 1 1 calc R U . . .
H37 H 0.0698 0.5340 0.9950 0.040 Uiso 1 1 calc R U . . .
H38 H 0.1520 0.5012 0.9608 0.040 Uiso 1 1 calc R U . . .
C22 C -0.0389(2) 0.44879(18) 0.83660(18) 0.0266(7) Uani 1 1 d . . . . .
H39 H -0.0809 0.4491 0.7855 0.040 Uiso 1 1 calc R U . . .
H40 H 0.0060 0.4073 0.8387 0.040 Uiso 1 1 calc R U . . .
H41 H -0.0762 0.4400 0.8729 0.040 Uiso 1 1 calc R U . . .
C23 C -0.0681(2) 0.61360(19) 0.86921(18) 0.0308(7) Uani 1 1 d . . . . .
H42 H -0.0404 0.6661 0.8820 0.046 Uiso 1 1 calc R U . . .
H43 H -0.1164 0.6130 0.8210 0.046 Uiso 1 1 calc R U . . .
H44 H -0.0969 0.5975 0.9090 0.046 Uiso 1 1 calc R U . . .
Si4 Si 0.00834(6) 0.56015(5) 0.68934(4) 0.02090(17) Uani 1 1 d . . . . .
C24 C -0.0026(2) 0.45513(17) 0.65621(16) 0.0236(6) Uani 1 1 d . . . . .
H45 H -0.0192 0.4239 0.6945 0.035 Uiso 1 1 calc R U . . .
H46 H -0.0519 0.4482 0.6086 0.035 Uiso 1 1 calc R U . . .
H47 H 0.0577 0.4385 0.6482 0.035 Uiso 1 1 calc R U . . .
C25 C -0.1144(2) 0.5913(2) 0.68577(19) 0.0343(8) Uani 1 1 d . . . . .
H48 H -0.1381 0.5641 0.7233 0.051 Uiso 1 1 calc R U . . .
H49 H -0.1135 0.6473 0.6969 0.051 Uiso 1 1 calc R U . . .
H50 H -0.1556 0.5787 0.6352 0.051 Uiso 1 1 calc R U . . .
C26 C 0.0402(2) 0.61770(19) 0.61459(17) 0.0301(7) Uani 1 1 d . . . . .
H51 H 0.1041 0.6056 0.6117 0.045 Uiso 1 1 calc R U . . .
H52 H -0.0045 0.6045 0.5656 0.045 Uiso 1 1 calc R U . . .
H53 H 0.0375 0.6731 0.6273 0.045 Uiso 1 1 calc R U . . .
Si5 Si 0.15929(6) 0.67038(5) 0.82162(5) 0.02120(17) Uani 1 1 d . . . . .
C27 C 0.0982(2) 0.73828(18) 0.87503(19) 0.0326(7) Uani 1 1 d . . . . .
H54 H 0.0358 0.7494 0.8430 0.049 Uiso 1 1 calc R U . . .
H55 H 0.0911 0.7142 0.9208 0.049 Uiso 1 1 calc R U . . .
H56 H 0.1358 0.7866 0.8892 0.049 Uiso 1 1 calc R U . . .
C28 C 0.1783(2) 0.73338(18) 0.74529(18) 0.0302(7) Uani 1 1 d . . . . .
H57 H 0.1174 0.7428 0.7100 0.045 Uiso 1 1 calc R U . . .
H58 H 0.2082 0.7829 0.7682 0.045 Uiso 1 1 calc R U . . .
H59 H 0.2191 0.7073 0.7179 0.045 Uiso 1 1 calc R U . . .
C29 C 0.2770(2) 0.65343(18) 0.88819(17) 0.0272(7) Uani 1 1 d . . . . .
H60 H 0.3125 0.6182 0.8634 0.041 Uiso 1 1 calc R U . . .
H61 H 0.3124 0.7029 0.9022 0.041 Uiso 1 1 calc R U . . .
H62 H 0.2677 0.6304 0.9337 0.041 Uiso 1 1 calc R U . . .
C30 C 0.3569(2) 0.49764(16) 0.66586(15) 0.0197(6) Uani 1 1 d . . . . .
H63 H 0.3924 0.4497 0.6614 0.024 Uiso 1 1 calc R U . . .
Si6 Si 0.29060(6) 0.51409(5) 0.56438(4) 0.02321(18) Uani 1 1 d . . . . .
C31 C 0.1729(2) 0.46296(19) 0.54033(17) 0.0278(7) Uani 1 1 d . . . . .
H64 H 0.1352 0.4840 0.5731 0.042 Uiso 1 1 calc R U . . .
H65 H 0.1406 0.4704 0.4874 0.042 Uiso 1 1 calc R U . . .
H66 H 0.1811 0.4075 0.5479 0.042 Uiso 1 1 calc R U . . .
C32 C 0.2728(2) 0.61920(19) 0.54387(19) 0.0347(8) Uani 1 1 d . . . . .
H67 H 0.3341 0.6470 0.5562 0.052 Uiso 1 1 calc R U . . .
H68 H 0.2417 0.6236 0.4902 0.052 Uiso 1 1 calc R U . . .
H69 H 0.2335 0.6417 0.5746 0.052 Uiso 1 1 calc R U . . .
C33 C 0.3604(2) 0.4723(2) 0.50078(18) 0.0349(8) Uani 1 1 d . . . . .
H70 H 0.4226 0.4984 0.5125 0.052 Uiso 1 1 calc R U . . .
H71 H 0.3678 0.4168 0.5085 0.052 Uiso 1 1 calc R U . . .
H72 H 0.3272 0.4797 0.4480 0.052 Uiso 1 1 calc R U . . .
Si7 Si 0.45335(6) 0.57310(5) 0.71141(5) 0.02223(17) Uani 1 1 d . . . . .
C34 C 0.4087(2) 0.66948(19) 0.7318(2) 0.0373(8) Uani 1 1 d . . . . .
H73 H 0.3722 0.6901 0.6845 0.056 Uiso 1 1 calc R U . . .
H74 H 0.3682 0.6640 0.7663 0.056 Uiso 1 1 calc R U . . .
H75 H 0.4620 0.7050 0.7552 0.056 Uiso 1 1 calc R U . . .
C35 C 0.5354(2) 0.5850(2) 0.6492(2) 0.0343(8) Uani 1 1 d . . . . .
H76 H 0.5005 0.6037 0.6005 0.051 Uiso 1 1 calc R U . . .
H77 H 0.5862 0.6225 0.6736 0.051 Uiso 1 1 calc R U . . .
H78 H 0.5624 0.5350 0.6410 0.051 Uiso 1 1 calc R U . . .
C36 C 0.5214(3) 0.5377(2) 0.8031(2) 0.0441(9) Uani 1 1 d . . . . .
H79 H 0.5461 0.4868 0.7946 0.066 Uiso 1 1 calc R U . . .
H80 H 0.5739 0.5742 0.8260 0.066 Uiso 1 1 calc R U . . .
H81 H 0.4801 0.5333 0.8371 0.066 Uiso 1 1 calc R U . . .
C37 C 0.52802(19) 0.12504(16) 0.74193(15) 0.0186(6) Uani 1 1 d . . . . .
C38 C 0.62209(19) 0.14995(16) 0.75143(15) 0.0182(6) Uani 1 1 d . . . . .
C39 C 0.6918(2) 0.09478(16) 0.75823(15) 0.0195(6) Uani 1 1 d . . . . .
H82 H 0.7553 0.1124 0.7653 0.023 Uiso 1 1 calc R U . . .
C40 C 0.6725(2) 0.01517(16) 0.75514(16) 0.0194(6) Uani 1 1 d . . . . .
C41 C 0.5780(2) -0.00779(16) 0.74703(16) 0.0208(6) Uani 1 1 d . . . . .
H83 H 0.5623 -0.0615 0.7457 0.025 Uiso 1 1 calc R U . . .
C42 C 0.5058(2) 0.04528(16) 0.74087(16) 0.0196(6) Uani 1 1 d . . . . .
C43 C 0.6488(2) 0.23569(16) 0.75455(16) 0.0202(6) Uani 1 1 d . . . . .
H84 H 0.5875 0.2607 0.7524 0.024 Uiso 1 1 calc R U . . .
Si8 Si 0.72394(6) 0.27097(5) 0.85092(5) 0.02208(17) Uani 1 1 d . . . . .
C44 C 0.8536(2) 0.25642(19) 0.86880(18) 0.0294(7) Uani 1 1 d . . . . .
H85 H 0.8650 0.2010 0.8641 0.044 Uiso 1 1 calc R U . . .
H86 H 0.8779 0.2839 0.8318 0.044 Uiso 1 1 calc R U . . .
H87 H 0.8857 0.2767 0.9199 0.044 Uiso 1 1 calc R U . . .
C45 C 0.6825(2) 0.2175(2) 0.92352(18) 0.0330(7) Uani 1 1 d . . . . .
H88 H 0.6926 0.1620 0.9170 0.049 Uiso 1 1 calc R U . . .
H89 H 0.7180 0.2366 0.9742 0.049 Uiso 1 1 calc R U . . .
H90 H 0.6152 0.2257 0.9174 0.049 Uiso 1 1 calc R U . . .
C46 C 0.7063(2) 0.37704(18) 0.86060(19) 0.0306(7) Uani 1 1 d . . . . .
H91 H 0.7286 0.4035 0.8219 0.046 Uiso 1 1 calc R U . . .
H92 H 0.6392 0.3863 0.8541 0.046 Uiso 1 1 calc R U . . .
H93 H 0.7420 0.3971 0.9109 0.046 Uiso 1 1 calc R U . . .
Si9 Si 0.67761(6) 0.26833(5) 0.66503(5) 0.02302(18) Uani 1 1 d . . . . .
C47 C 0.8047(3) 0.2942(2) 0.6765(2) 0.0406(9) Uani 1 1 d . . . . .
H94 H 0.8252 0.3348 0.7168 0.061 Uiso 1 1 calc R U . . .
H95 H 0.8424 0.2483 0.6899 0.061 Uiso 1 1 calc R U . . .
H96 H 0.8133 0.3130 0.6290 0.061 Uiso 1 1 calc R U . . .
C48 C 0.6408(3) 0.1911(2) 0.5884(2) 0.0416(9) Uani 1 1 d . . . . .
H97 H 0.6762 0.1445 0.6034 0.062 Uiso 1 1 calc R U . . .
H98 H 0.5732 0.1792 0.5794 0.062 Uiso 1 1 calc R U . . .
H99 H 0.6537 0.2091 0.5419 0.062 Uiso 1 1 calc R U . . .
C49 C 0.6100(3) 0.3568(2) 0.6361(2) 0.0474(10) Uani 1 1 d . . . . .
H100 H 0.6292 0.3976 0.6763 0.071 Uiso 1 1 calc R U . . .
H101 H 0.6229 0.3747 0.5896 0.071 Uiso 1 1 calc R U . . .
H102 H 0.5425 0.3448 0.6271 0.071 Uiso 1 1 calc R U . . .
C50 C 0.7525(2) -0.04465(16) 0.76539(17) 0.0221(6) Uani 1 1 d . . . . .
Si10 Si 0.70365(7) -0.14524(5) 0.72240(6) 0.0279(2) Uani 0.9523(19) 1 d . . P B
1
Si11 Si 0.85178(7) -0.01844(5) 0.71780(6) 0.0278(2) Uani 0.9523(19) 1 d . . P B
1
Si12 Si 0.80384(6) -0.04781(5) 0.87352(5) 0.0251(2) Uani 0.9523(19) 1 d . . P B
1
C51 C 0.7961(3) -0.2141(2) 0.7082(2) 0.0447(9) Uani 1 1 d . . . . .
H103 H 0.8335 -0.1904 0.6774 0.067 Uiso 0.9523(19) 1 calc R U P B 1
H104 H 0.8375 -0.2255 0.7575 0.067 Uiso 0.9523(19) 1 calc R U P B 1
H105 H 0.7654 -0.2623 0.6825 0.067 Uiso 0.9523(19) 1 calc R U P B 1
H106 H 0.8639 -0.2067 0.7318 0.067 Uiso 0.0477(19) 1 calc R U P B 2
H107 H 0.7642 -0.2301 0.7462 0.067 Uiso 0.0477(19) 1 calc R U P B 2
H108 H 0.7860 -0.2543 0.6673 0.067 Uiso 0.0477(19) 1 calc R U P B 2
C52 C 0.6414(3) -0.20158(19) 0.7820(2) 0.0391(8) Uani 1 1 d . . . . .
H109 H 0.5908 -0.1707 0.7930 0.059 Uiso 0.9523(19) 1 calc R U P B 1
H110 H 0.6144 -0.2500 0.7545 0.059 Uiso 0.9523(19) 1 calc R U P B 1
H111 H 0.6865 -0.2133 0.8295 0.059 Uiso 0.9523(19) 1 calc R U P B 1
H112 H 0.6337 -0.2366 0.8207 0.059 Uiso 0.0477(19) 1 calc R U P B 2
H113 H 0.5801 -0.1808 0.7573 0.059 Uiso 0.0477(19) 1 calc R U P B 2
H114 H 0.6662 -0.2300 0.7443 0.059 Uiso 0.0477(19) 1 calc R U P B 2
C53 C 0.6197(3) -0.1390(2) 0.6256(2) 0.0432(9) Uani 1 1 d . . . . .
H115 H 0.5693 -0.1038 0.6288 0.065 Uiso 0.9523(19) 1 calc R U P B 1
H116 H 0.6540 -0.1194 0.5905 0.065 Uiso 0.9523(19) 1 calc R U P B 1
H117 H 0.5922 -0.1906 0.6072 0.065 Uiso 0.9523(19) 1 calc R U P B 1
H118 H 0.6024 -0.1710 0.6630 0.065 Uiso 0.0477(19) 1 calc R U P B 2
H119 H 0.5772 -0.0956 0.6152 0.065 Uiso 0.0477(19) 1 calc R U P B 2
H120 H 0.6144 -0.1704 0.5787 0.065 Uiso 0.0477(19) 1 calc R U P B 2
C54 C 0.8110(3) -0.0358(2) 0.6122(2) 0.0465(10) Uani 1 1 d . . . . .
H121 H 0.7838 -0.0885 0.6001 0.070 Uiso 0.9523(19) 1 calc R U P B 1
H122 H 0.7632 0.0016 0.5912 0.070 Uiso 0.9523(19) 1 calc R U P B 1
H123 H 0.8648 -0.0296 0.5902 0.070 Uiso 0.9523(19) 1 calc R U P B 1
H124 H 0.8741 -0.0256 0.6459 0.070 Uiso 0.0477(19) 1 calc R U P B 2
H125 H 0.8163 -0.0616 0.5648 0.070 Uiso 0.0477(19) 1 calc R U P B 2
H126 H 0.7792 0.0132 0.6013 0.070 Uiso 0.0477(19) 1 calc R U P B 2
C55 C 0.9002(3) 0.0838(2) 0.7274(2) 0.0455(10) Uani 1 1 d . . . . .
H127 H 0.9240 0.0996 0.7811 0.068 Uiso 0.9523(19) 1 calc R U P B 1
H128 H 0.9517 0.0871 0.7026 0.068 Uiso 0.9523(19) 1 calc R U P B 1
H129 H 0.8501 0.1182 0.7035 0.068 Uiso 0.9523(19) 1 calc R U P B 1
H130 H 0.9671 0.0995 0.7442 0.068 Uiso 0.0477(19) 1 calc R U P B 2
H131 H 0.8842 0.0677 0.6736 0.068 Uiso 0.0477(19) 1 calc R U P B 2
H132 H 0.8618 0.1276 0.7353 0.068 Uiso 0.0477(19) 1 calc R U P B 2
C56 C 0.9623(2) -0.0733(2) 0.7556(2) 0.0416(9) Uani 1 1 d . . . . .
H133 H 0.9462 -0.1288 0.7536 0.062 Uiso 0.9523(19) 1 calc R U P B 1
H134 H 1.0066 -0.0643 0.7248 0.062 Uiso 0.9523(19) 1 calc R U P B 1
H135 H 0.9914 -0.0554 0.8081 0.062 Uiso 0.9523(19) 1 calc R U P B 1
H136 H 1.0253 -0.0485 0.7682 0.062 Uiso 0.0477(19) 1 calc R U P B 2
H137 H 0.9643 -0.1214 0.7822 0.062 Uiso 0.0477(19) 1 calc R U P B 2
H138 H 0.9411 -0.0850 0.7010 0.062 Uiso 0.0477(19) 1 calc R U P B 2
C57 C 0.8723(3) -0.1368(2) 0.9047(2) 0.0412(9) Uani 1 1 d . . . . .
H139 H 0.9237 -0.1411 0.8798 0.062 Uiso 0.9523(19) 1 calc R U P B 1
H140 H 0.8985 -0.1329 0.9596 0.062 Uiso 0.9523(19) 1 calc R U P B 1
H141 H 0.8302 -0.1828 0.8908 0.062 Uiso 0.9523(19) 1 calc R U P B 1
H142 H 0.8659 -0.1747 0.9415 0.062 Uiso 0.0477(19) 1 calc R U P B 2
H143 H 0.9128 -0.1573 0.8740 0.062 Uiso 0.0477(19) 1 calc R U P B 2
H144 H 0.9004 -0.0883 0.9314 0.062 Uiso 0.0477(19) 1 calc R U P B 2
C58 C 0.7075(2) -0.0435(2) 0.92290(19) 0.0357(8) Uani 1 1 d . . . . .
H145 H 0.6621 -0.0866 0.9038 0.053 Uiso 0.9523(19) 1 calc R U P B 1
H146 H 0.7344 -0.0473 0.9774 0.053 Uiso 0.9523(19) 1 calc R U P B 1
H147 H 0.6756 0.0057 0.9135 0.053 Uiso 0.9523(19) 1 calc R U P B 1
H148 H 0.6951 -0.0767 0.9615 0.053 Uiso 0.0477(19) 1 calc R U P B 2
H149 H 0.7637 -0.0104 0.9450 0.053 Uiso 0.0477(19) 1 calc R U P B 2
H150 H 0.6533 -0.0111 0.9043 0.053 Uiso 0.0477(19) 1 calc R U P B 2
C59 C 0.8861(3) 0.0365(2) 0.9141(2) 0.0398(8) Uani 1 1 d . . . . .
H151 H 0.9385 0.0371 0.8900 0.060 Uiso 0.9523(19) 1 calc R U P B 1
H152 H 0.8521 0.0847 0.9047 0.060 Uiso 0.9523(19) 1 calc R U P B 1
H153 H 0.9109 0.0318 0.9686 0.060 Uiso 0.9523(19) 1 calc R U P B 1
H154 H 0.9485 0.0608 0.9367 0.060 Uiso 0.0477(19) 1 calc R U P B 2
H155 H 0.8374 0.0739 0.9157 0.060 Uiso 0.0477(19) 1 calc R U P B 2
H156 H 0.8772 -0.0085 0.9424 0.060 Uiso 0.0477(19) 1 calc R U P B 2
C60 C 0.4039(2) 0.01737(17) 0.73127(17) 0.0244(6) Uani 1 1 d . . . . .
H157 H 0.3699 0.0671 0.7265 0.029 Uiso 1 1 calc R U . . .
Si13 Si 0.34778(6) -0.03521(5) 0.63659(5) 0.02792(19) Uani 1 1 d . . . . .
C61 C 0.4087(2) -0.00331(19) 0.56464(18) 0.0309(7) Uani 1 1 d . . . . .
H158 H 0.4064 0.0531 0.5620 0.046 Uiso 1 1 calc R U . . .
H159 H 0.4745 -0.0186 0.5791 0.046 Uiso 1 1 calc R U . . .
H160 H 0.3770 -0.0277 0.5151 0.046 Uiso 1 1 calc R U . . .
C62 C 0.2209(2) -0.0087(2) 0.6061(2) 0.0424(9) Uani 1 1 d . . . . .
H161 H 0.1883 -0.0251 0.6434 0.064 Uiso 1 1 calc R U . . .
H162 H 0.2171 0.0476 0.6020 0.064 Uiso 1 1 calc R U . . .
H163 H 0.1911 -0.0345 0.5568 0.064 Uiso 1 1 calc R U . . .
C63 C 0.3520(3) -0.14292(19) 0.6417(2) 0.0406(9) Uani 1 1 d . . . . .
H164 H 0.3201 -0.1595 0.6794 0.061 Uiso 1 1 calc R U . . .
H165 H 0.3203 -0.1674 0.5921 0.061 Uiso 1 1 calc R U . . .
H166 H 0.4179 -0.1583 0.6561 0.061 Uiso 1 1 calc R U . . .
Si14 Si 0.38116(6) -0.02032(5) 0.82137(5) 0.02726(19) Uani 1 1 d . . . . .
C64 C 0.2502(2) -0.0324(2) 0.8073(2) 0.0367(8) Uani 1 1 d . . . . .
H167 H 0.2202 0.0165 0.7919 0.055 Uiso 1 1 calc R U . . .
H168 H 0.2252 -0.0730 0.7678 0.055 Uiso 1 1 calc R U . . .
H169 H 0.2370 -0.0469 0.8547 0.055 Uiso 1 1 calc R U . . .
C65 C 0.4338(3) -0.1152(2) 0.8504(2) 0.0369(8) Uani 1 1 d . . . . .
H170 H 0.4084 -0.1550 0.8103 0.055 Uiso 1 1 calc R U . . .
H171 H 0.5025 -0.1107 0.8592 0.055 Uiso 1 1 calc R U . . .
H172 H 0.4183 -0.1295 0.8970 0.055 Uiso 1 1 calc R U . . .
C66 C 0.4312(2) 0.0545(2) 0.89924(19) 0.0361(8) Uani 1 1 d . . . . .
H173 H 0.4043 0.1048 0.8849 0.054 Uiso 1 1 calc R U . . .
H174 H 0.4157 0.0396 0.9457 0.054 Uiso 1 1 calc R U . . .
H175 H 0.4999 0.0584 0.9079 0.054 Uiso 1 1 calc R U . . .
C67 C 0.112(4) 0.237(4) 0.544(5) 0.038(6) Uani 0.082(8) 1 d D U P A 2
H176 H 0.1112 0.2795 0.5090 0.045 Uiso 0.082(8) 1 calc R U P A 2
H177 H 0.1297 0.1903 0.5188 0.045 Uiso 0.082(8) 1 calc R U P A 2
C68 C 0.010(4) 0.223(3) 0.546(8) 0.083(7) Uani 0.082(8) 1 d D U P A 2
H178 H -0.0057 0.2618 0.5826 0.099 Uiso 0.082(8) 1 calc R U P A 2
H179 H -0.0322 0.2315 0.4958 0.099 Uiso 0.082(8) 1 calc R U P A 2
C69 C -0.010(4) 0.144(3) 0.569(4) 0.117(7) Uani 0.082(8) 1 d D U P A 2
H180 H -0.0765 0.1389 0.5692 0.175 Uiso 0.082(8) 1 calc R U P A 2
H181 H 0.0033 0.1055 0.5325 0.175 Uiso 0.082(8) 1 calc R U P A 2
H182 H 0.0299 0.1358 0.6194 0.175 Uiso 0.082(8) 1 calc R U P A 2
Si15 Si 0.7309(16) -0.1148(12) 0.8301(12) 0.037(5) Uani 0.0477(19) 1 d . . P B
2
Si16 Si 0.8749(15) -0.0038(13) 0.7864(19) 0.053(8) Uani 0.0477(19) 1 d . . P B
2
Si17 Si 0.7375(19) -0.1030(12) 0.6613(13) 0.044(6) Uani 0.0477(19) 1 d . . P B
2


_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 C7 1.981(3) . ?
Ge1 C1 2.027(3) . ?
Ge1 Ge2 2.3798(4) . ?
Ge2 C37 1.981(3) . ?
Ge2 C2 2.015(3) . ?
C1 C3 1.524(4) . ?
C1 C2 1.548(4) . ?
C3 C4 1.534(7) . ?
C3 C67 1.58(8) . ?
C4 C5 1.527(7) . ?
C5 C6 1.488(10) . ?
C7 C8 1.411(4) . ?
C7 C12 1.414(4) . ?
C8 C9 1.407(4) . ?
C8 C13 1.521(4) . ?
C9 C10 1.395(4) . ?
C10 C11 1.410(4) . ?
C10 C20 1.552(4) . ?
C11 C12 1.397(4) . ?
C12 C30 1.518(4) . ?
C13 Si1 1.896(3) . ?
C13 Si2 1.900(3) . ?
Si1 C14 1.869(3) . ?
Si1 C15 1.873(3) . ?
Si1 C16 1.880(3) . ?
Si2 C19 1.862(4) . ?
Si2 C17 1.865(4) . ?
Si2 C18 1.871(3) . ?
C20 Si3 1.925(3) . ?
C20 Si5 1.934(3) . ?
C20 Si4 1.941(3) . ?
Si3 C22 1.878(3) . ?
Si3 C21 1.880(3) . ?
Si3 C23 1.889(3) . ?
Si4 C26 1.875(3) . ?
Si4 C25 1.878(3) . ?
Si4 C24 1.880(3) . ?
Si5 C29 1.878(3) . ?
Si5 C27 1.881(3) . ?
Si5 C28 1.883(3) . ?
C30 Si6 1.901(3) . ?
C30 Si7 1.904(3) . ?
Si6 C31 1.864(3) . ?
Si6 C33 1.872(3) . ?
Si6 C32 1.882(3) . ?
Si7 C36 1.856(4) . ?
Si7 C34 1.861(3) . ?
Si7 C35 1.875(3) . ?
C37 C38 1.404(4) . ?
C37 C42 1.409(4) . ?
C38 C39 1.399(4) . ?
C38 C43 1.521(4) . ?
C39 C40 1.396(4) . ?
C40 C41 1.405(4) . ?
C40 C50 1.561(4) . ?
C41 C42 1.402(4) . ?
C42 C60 1.526(4) . ?
C43 Si8 1.893(3) . ?
C43 Si9 1.902(3) . ?
Si8 C46 1.865(3) . ?
Si8 C45 1.871(3) . ?
Si8 C44 1.871(3) . ?
Si9 C48 1.861(4) . ?
Si9 C49 1.863(4) . ?
Si9 C47 1.867(4) . ?
C50 Si15 1.81(2) . ?
C50 Si16 1.86(2) . ?
C50 Si10 1.924(3) . ?
C50 Si12 1.934(3) . ?
C50 Si11 1.939(3) . ?
C50 Si17 2.08(2) . ?
Si10 C51 1.885(3) . ?
Si10 C52 1.885(4) . ?
Si10 C53 1.891(4) . ?
Si11 C55 1.877(4) . ?
Si11 C54 1.882(4) . ?
Si11 C56 1.885(3) . ?
Si12 C58 1.866(3) . ?
Si12 C59 1.874(4) . ?
Si12 C57 1.884(3) . ?
C51 Si17 2.24(2) . ?
C52 Si15 1.99(2) . ?
C53 Si17 1.77(3) . ?
C54 Si17 1.97(2) . ?
C55 Si16 1.98(2) . ?
C56 Si16 1.95(3) . ?
C57 Si15 2.22(2) . ?
C58 Si15 2.16(2) . ?
C59 Si16 2.38(3) . ?
C60 Si13 1.901(3) . ?
C60 Si14 1.906(3) . ?
Si13 C61 1.869(3) . ?
Si13 C63 1.871(3) . ?
Si13 C62 1.875(4) . ?
Si14 C65 1.868(3) . ?
Si14 C66 1.874(4) . ?
Si14 C64 1.879(3) . ?
C67 C68 1.535(12) . ?
C68 C69 1.492(14) . ?

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
C7 Ge1 C1 110.84(11) . . ?
C7 Ge1 Ge2 141.89(8) . . ?
C1 Ge1 Ge2 76.43(8) . . ?
C37 Ge2 C2 113.33(12) . . ?
C37 Ge2 Ge1 142.87(8) . . ?
C2 Ge2 Ge1 76.50(9) . . ?
C3 C1 C2 113.1(3) . . ?
C3 C1 Ge1 114.9(2) . . ?
C2 C1 Ge1 98.98(19) . . ?
C1 C2 Ge2 99.73(19) . . ?
C1 C3 C4 113.9(3) . . ?
C1 C3 C67 129(2) . . ?
C5 C4 C3 111.5(6) . . ?
C6 C5 C4 114.9(7) . . ?
C8 C7 C12 119.7(2) . . ?
C8 C7 Ge1 124.5(2) . . ?
C12 C7 Ge1 115.28(19) . . ?
C9 C8 C7 118.6(2) . . ?
C9 C8 C13 119.8(2) . . ?
C7 C8 C13 121.6(2) . . ?
C10 C9 C8 123.5(2) . . ?
C9 C10 C11 115.7(2) . . ?
C9 C10 C20 124.5(2) . . ?
C11 C10 C20 119.8(2) . . ?
C12 C11 C10 123.4(2) . . ?
C11 C12 C7 118.7(2) . . ?
C11 C12 C30 119.7(2) . . ?
C7 C12 C30 121.6(2) . . ?
C8 C13 Si1 116.00(19) . . ?
C8 C13 Si2 109.21(19) . . ?
Si1 C13 Si2 116.92(14) . . ?
C14 Si1 C15 106.51(15) . . ?
C14 Si1 C16 111.19(14) . . ?
C15 Si1 C16 107.45(15) . . ?
C14 Si1 C13 109.63(13) . . ?
C15 Si1 C13 108.51(14) . . ?
C16 Si1 C13 113.27(14) . . ?
C19 Si2 C17 108.83(18) . . ?
C19 Si2 C18 109.14(17) . . ?
C17 Si2 C18 107.05(16) . . ?
C19 Si2 C13 110.89(14) . . ?
C17 Si2 C13 108.16(14) . . ?
C18 Si2 C13 112.62(15) . . ?
C10 C20 Si3 114.53(18) . . ?
C10 C20 Si5 106.12(18) . . ?
Si3 C20 Si5 107.73(13) . . ?
C10 C20 Si4 103.25(17) . . ?
Si3 C20 Si4 107.05(14) . . ?
Si5 C20 Si4 118.45(14) . . ?
C22 Si3 C21 108.88(14) . . ?
C22 Si3 C23 103.06(14) . . ?
C21 Si3 C23 105.14(14) . . ?
C22 Si3 C20 112.94(13) . . ?
C21 Si3 C20 111.22(13) . . ?
C23 Si3 C20 114.98(14) . . ?
C26 Si4 C25 102.79(16) . . ?
C26 Si4 C24 108.11(14) . . ?
C25 Si4 C24 106.28(15) . . ?
C26 Si4 C20 115.54(13) . . ?
C25 Si4 C20 114.70(13) . . ?
C24 Si4 C20 108.82(13) . . ?
C29 Si5 C27 105.63(15) . . ?
C29 Si5 C28 108.48(15) . . ?
C27 Si5 C28 101.33(15) . . ?
C29 Si5 C20 108.23(13) . . ?
C27 Si5 C20 115.86(14) . . ?
C28 Si5 C20 116.57(13) . . ?
C12 C30 Si6 116.45(19) . . ?
C12 C30 Si7 111.80(19) . . ?
Si6 C30 Si7 115.52(14) . . ?
C31 Si6 C33 108.15(15) . . ?
C31 Si6 C32 108.43(15) . . ?
C33 Si6 C32 107.91(16) . . ?
C31 Si6 C30 110.46(13) . . ?
C33 Si6 C30 107.98(14) . . ?
C32 Si6 C30 113.75(14) . . ?
C36 Si7 C34 107.09(18) . . ?
C36 Si7 C35 108.45(17) . . ?
C34 Si7 C35 109.08(16) . . ?
C36 Si7 C30 108.25(15) . . ?
C34 Si7 C30 114.16(14) . . ?
C35 Si7 C30 109.64(14) . . ?
C38 C37 C42 119.5(2) . . ?
C38 C37 Ge2 124.3(2) . . ?
C42 C37 Ge2 116.0(2) . . ?
C39 C38 C37 119.2(3) . . ?
C39 C38 C43 119.9(2) . . ?
C37 C38 C43 120.9(2) . . ?
C40 C39 C38 123.2(3) . . ?
C39 C40 C41 116.2(2) . . ?
C39 C40 C50 121.8(3) . . ?
C41 C40 C50 121.9(2) . . ?
C42 C41 C40 122.7(3) . . ?
C41 C42 C37 119.1(3) . . ?
C41 C42 C60 120.7(3) . . ?
C37 C42 C60 120.1(2) . . ?
C38 C43 Si8 112.25(19) . . ?
C38 C43 Si9 113.57(19) . . ?
Si8 C43 Si9 120.57(15) . . ?
C46 Si8 C45 111.33(15) . . ?
C46 Si8 C44 107.64(15) . . ?
C45 Si8 C44 107.13(15) . . ?
C46 Si8 C43 106.99(14) . . ?
C45 Si8 C43 107.71(14) . . ?
C44 Si8 C43 116.09(14) . . ?
C48 Si9 C49 109.24(19) . . ?
C48 Si9 C47 108.48(17) . . ?
C49 Si9 C47 107.10(18) . . ?
C48 Si9 C43 109.90(15) . . ?
C49 Si9 C43 107.65(15) . . ?
C47 Si9 C43 114.35(14) . . ?
C40 C50 Si15 107.5(7) . . ?
C40 C50 Si16 116.2(7) . . ?
Si15 C50 Si16 115.7(11) . . ?
C40 C50 Si10 111.26(19) . . ?
C40 C50 Si12 105.08(19) . . ?
Si10 C50 Si12 110.68(14) . . ?
C40 C50 Si11 114.39(19) . . ?
Si10 C50 Si11 105.63(14) . . ?
Si12 C50 Si11 109.89(15) . . ?
C40 C50 Si17 107.2(7) . . ?
Si15 C50 Si17 107.3(9) . . ?
Si16 C50 Si17 102.3(13) . . ?
C51 Si10 C52 102.34(17) . . ?
C51 Si10 C53 105.08(18) . . ?
C52 Si10 C53 107.80(18) . . ?
C51 Si10 C50 114.46(15) . . ?
C52 Si10 C50 114.60(15) . . ?
C53 Si10 C50 111.68(15) . . ?
C55 Si11 C54 102.07(19) . . ?
C55 Si11 C56 101.32(17) . . ?
C54 Si11 C56 109.50(17) . . ?
C55 Si11 C50 119.36(15) . . ?
C54 Si11 C50 111.11(16) . . ?
C56 Si11 C50 112.51(15) . . ?
C58 Si12 C59 105.92(17) . . ?
C58 Si12 C57 107.07(16) . . ?
C59 Si12 C57 105.71(17) . . ?
C58 Si12 C50 110.47(14) . . ?
C59 Si12 C50 112.68(15) . . ?
C57 Si12 C50 114.44(15) . . ?
C42 C60 Si13 114.3(2) . . ?
C42 C60 Si14 113.3(2) . . ?
Si13 C60 Si14 119.73(16) . . ?
C61 Si13 C63 109.57(16) . . ?
C61 Si13 C62 108.75(16) . . ?
C63 Si13 C62 108.08(18) . . ?
C61 Si13 C60 109.47(14) . . ?
C63 Si13 C60 112.51(15) . . ?
C62 Si13 C60 108.38(16) . . ?
C65 Si14 C66 108.40(17) . . ?
C65 Si14 C64 107.28(16) . . ?
C66 Si14 C64 110.17(16) . . ?
C65 Si14 C60 115.61(15) . . ?
C66 Si14 C60 106.97(15) . . ?
C64 Si14 C60 108.38(15) . . ?
C68 C67 C3 126(7) . . ?
C69 C68 C67 113.6(13) . . ?
C50 Si15 C52 114.8(11) . . ?
C50 Si15 C58 103.3(9) . . ?
C52 Si15 C58 121.1(11) . . ?
C50 Si15 C57 105.0(10) . . ?
C52 Si15 C57 121.3(10) . . ?
C58 Si15 C57 87.0(8) . . ?
C50 Si16 C56 113.4(13) . . ?
C50 Si16 C55 118.1(13) . . ?
C56 Si16 C55 95.6(12) . . ?
C50 Si16 C59 96.2(12) . . ?
C56 Si16 C59 123.8(12) . . ?
C55 Si16 C59 111.5(12) . . ?
C53 Si17 C54 128.2(13) . . ?
C53 Si17 C50 109.8(11) . . ?
C54 Si17 C50 102.4(10) . . ?
C53 Si17 C51 96.0(9) . . ?
C54 Si17 C51 120.2(12) . . ?
C50 Si17 C51 95.8(9) . . ?

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
C3 C1 C2 Ge2 -96.1(2) . . . . ?
Ge1 C1 C2 Ge2 25.96(19) . . . . ?
C2 C1 C3 C4 -71.7(4) . . . . ?
Ge1 C1 C3 C4 175.6(3) . . . . ?
C2 C1 C3 C67 -83(3) . . . . ?
Ge1 C1 C3 C67 165(3) . . . . ?
C1 C3 C4 C5 179.4(4) . . . . ?
C3 C4 C5 C6 -175.2(5) . . . . ?
C12 C7 C8 C9 5.6(4) . . . . ?
Ge1 C7 C8 C9 -165.7(2) . . . . ?
C12 C7 C8 C13 -171.8(2) . . . . ?
Ge1 C7 C8 C13 16.9(4) . . . . ?
C7 C8 C9 C10 -0.3(4) . . . . ?
C13 C8 C9 C10 177.2(2) . . . . ?
C8 C9 C10 C11 -4.5(4) . . . . ?
C8 C9 C10 C20 173.7(2) . . . . ?
C9 C10 C11 C12 4.2(4) . . . . ?
C20 C10 C11 C12 -174.1(2) . . . . ?
C10 C11 C12 C7 0.9(4) . . . . ?
C10 C11 C12 C30 -178.9(2) . . . . ?
C8 C7 C12 C11 -5.9(4) . . . . ?
Ge1 C7 C12 C11 166.16(19) . . . . ?
C8 C7 C12 C30 173.9(2) . . . . ?
Ge1 C7 C12 C30 -14.1(3) . . . . ?
C9 C8 C13 Si1 48.1(3) . . . . ?
C7 C8 C13 Si1 -134.5(2) . . . . ?
C9 C8 C13 Si2 -86.6(3) . . . . ?
C7 C8 C13 Si2 90.8(3) . . . . ?
C8 C13 Si1 C14 37.6(2) . . . . ?
Si2 C13 Si1 C14 168.80(15) . . . . ?
C8 C13 Si1 C15 153.6(2) . . . . ?
Si2 C13 Si1 C15 -75.3(2) . . . . ?
C8 C13 Si1 C16 -87.2(2) . . . . ?
Si2 C13 Si1 C16 44.0(2) . . . . ?
C9 C10 C20 Si3 3.4(3) . . . . ?
C11 C10 C20 Si3 -178.4(2) . . . . ?
C9 C10 C20 Si5 122.1(2) . . . . ?
C11 C10 C20 Si5 -59.7(3) . . . . ?
C9 C10 C20 Si4 -112.6(3) . . . . ?
C11 C10 C20 Si4 65.6(3) . . . . ?
C11 C12 C30 Si6 -61.0(3) . . . . ?
C7 C12 C30 Si6 119.3(2) . . . . ?
C11 C12 C30 Si7 74.8(3) . . . . ?
C7 C12 C30 Si7 -104.9(3) . . . . ?
C42 C37 C38 C39 1.2(4) . . . . ?
Ge2 C37 C38 C39 -174.2(2) . . . . ?
C42 C37 C38 C43 -178.7(2) . . . . ?
Ge2 C37 C38 C43 5.9(4) . . . . ?
C37 C38 C39 C40 0.8(4) . . . . ?
C43 C38 C39 C40 -179.3(3) . . . . ?
C38 C39 C40 C41 -2.0(4) . . . . ?
C38 C39 C40 C50 -178.1(3) . . . . ?
C39 C40 C41 C42 1.2(4) . . . . ?
C50 C40 C41 C42 177.3(3) . . . . ?
C40 C41 C42 C37 0.7(4) . . . . ?
C40 C41 C42 C60 179.3(3) . . . . ?
C38 C37 C42 C41 -1.9(4) . . . . ?
Ge2 C37 C42 C41 173.8(2) . . . . ?
C38 C37 C42 C60 179.5(3) . . . . ?
Ge2 C37 C42 C60 -4.8(3) . . . . ?
C39 C38 C43 Si8 -66.6(3) . . . . ?
C37 C38 C43 Si8 113.3(3) . . . . ?
C39 C38 C43 Si9 74.5(3) . . . . ?
C37 C38 C43 Si9 -105.6(3) . . . . ?
C38 C43 Si8 C46 -155.1(2) . . . . ?
Si9 C43 Si8 C46 66.9(2) . . . . ?
C38 C43 Si8 C45 -35.3(2) . . . . ?
Si9 C43 Si8 C45 -173.34(17) . . . . ?
C38 C43 Si8 C44 84.7(2) . . . . ?
Si9 C43 Si8 C44 -53.3(2) . . . . ?
C39 C40 C50 Si15 134.1(8) . . . . ?
C41 C40 C50 Si15 -41.8(8) . . . . ?
C39 C40 C50 Si16 2.8(12) . . . . ?
C41 C40 C50 Si16 -173.2(12) . . . . ?
C39 C40 C50 Si10 -158.6(2) . . . . ?
C41 C40 C50 Si10 25.4(3) . . . . ?
C39 C40 C50 Si12 81.6(3) . . . . ?
C41 C40 C50 Si12 -94.4(3) . . . . ?
C39 C40 C50 Si11 -39.0(3) . . . . ?
C41 C40 C50 Si11 145.0(2) . . . . ?
C39 C40 C50 Si17 -110.8(7) . . . . ?
C41 C40 C50 Si17 73.3(7) . . . . ?
C41 C42 C60 Si13 -68.6(3) . . . . ?
C37 C42 C60 Si13 110.0(3) . . . . ?
C41 C42 C60 Si14 73.3(3) . . . . ?
C37 C42 C60 Si14 -108.1(3) . . . . ?
C1 C3 C67 C68 -176(3) . . . . ?
C3 C67 C68 C69 -80(9) . . . . ?
C40 C50 Si15 C52 85.0(11) . . . . ?
Si16 C50 Si15 C52 -143.4(13) . . . . ?
Si17 C50 Si15 C52 -30.0(14) . . . . ?
C40 C50 Si15 C58 -48.9(10) . . . . ?
Si16 C50 Si15 C58 82.8(14) . . . . ?
Si17 C50 Si15 C58 -163.8(9) . . . . ?
C40 C50 Si15 C57 -139.3(6) . . . . ?
Si16 C50 Si15 C57 -7.6(15) . . . . ?
Si17 C50 Si15 C57 105.7(11) . . . . ?
C40 C50 Si16 C56 -154.6(9) . . . . ?
Si15 C50 Si16 C56 78.0(18) . . . . ?
Si17 C50 Si16 C56 -38.3(16) . . . . ?
C40 C50 Si16 C55 -44(2) . . . . ?
Si15 C50 Si16 C55 -171.5(13) . . . . ?
Si17 C50 Si16 C55 72.3(17) . . . . ?
C40 C50 Si16 C59 74.3(9) . . . . ?
Si15 C50 Si16 C59 -53.1(12) . . . . ?
Si17 C50 Si16 C59 -169.3(8) . . . . ?

_refine_diff_density_max         1.034
_refine_diff_density_min         -0.633
_refine_diff_density_rms         0.068


