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

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

data_sh3530
_database_code_depnum_ccdc_archive 'CCDC 1439296'
_audit_update_record             
;
2015-11-27 deposited with the CCDC.
2016-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H144 Ge2 Si4, C7 H8'
_chemical_formula_sum            'C99 H152 Ge2 Si4'
_chemical_formula_weight         1599.74

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      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                   16.3223(6)
_cell_length_b                   17.6076(7)
_cell_length_c                   18.3797(8)
_cell_angle_alpha                71.4780(19)
_cell_angle_beta                 77.6430(18)
_cell_angle_gamma                67.4580(17)
_cell_volume                     4600.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    152(2)
_cell_measurement_reflns_used    9875
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      26.11

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.155
_exptl_crystal_F_000             1732
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.248
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    0.749
_shelx_estimated_absorpt_T_min   0.805
_shelx_estimated_absorpt_T_max   0.859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7011
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS, BrukerAXS 2010'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      152(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77965
_diffrn_reflns_av_unetI/netI     0.0668
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.297
_diffrn_reflns_theta_max         27.210
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             20276
_reflns_number_gt                14208
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0654P)²+2.7023P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         20276
_refine_ls_number_parameters     1051
_refine_ls_number_restraints     106
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0492
_refine_ls_wR_factor_ref         0.1353
_refine_ls_wR_factor_gt          0.1197
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.003
_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 0.43431(2) 0.83569(2) 0.18374(2) 0.01804(8) Uani 1 1 d . . . . .
Ge2 Ge 0.52638(2) 0.65565(2) 0.29882(2) 0.01802(8) Uani 1 1 d . . . . .
Si1 Si 0.52932(5) 0.79352(5) 0.28378(4) 0.01821(17) Uani 1 1 d . . . . .
Si2 Si 0.45742(5) 0.69195(5) 0.18273(4) 0.01729(17) Uani 1 1 d . . . . .
Si3 Si 0.38013(5) 0.87732(5) 0.30578(4) 0.01772(17) Uani 1 1 d . . . . .
Si4 Si 0.61141(5) 0.60581(5) 0.18535(4) 0.01851(17) Uani 1 1 d . . . . .
C1 C 0.4160(3) 0.9386(2) 0.0970(2) 0.0385(9) Uani 1 1 d . . . . .
H1A H 0.403(3) 0.981(3) 0.118(2) 0.067(14) Uiso 1 1 d . . . . .
H1B H 0.377(3) 0.947(3) 0.068(3) 0.074(15) Uiso 1 1 d . . . . .
H1C H 0.472(3) 0.940(3) 0.065(3) 0.083(15) Uiso 1 1 d . . . . .
C2 C 0.4860(2) 0.5966(2) 0.40280(18) 0.0263(7) Uani 1 1 d . . . . .
H2A H 0.533(2) 0.5636(19) 0.4378(18) 0.024(8) Uiso 1 1 d . . . . .
H2B H 0.4606(19) 0.5575(19) 0.3972(17) 0.027(8) Uiso 1 1 d . . . . .
H2C H 0.445(2) 0.639(2) 0.4233(18) 0.028(9) Uiso 1 1 d . . . . .
C3 C 0.63888(18) 0.80111(17) 0.29578(17) 0.0224(6) Uani 1 1 d . . . . .
C4 C 0.66640(19) 0.77229(19) 0.37044(18) 0.0272(7) Uani 1 1 d . . . . .
C5 C 0.7448(2) 0.7798(2) 0.3811(2) 0.0386(8) Uani 1 1 d . . . . .
H5 H 0.7626 0.7607 0.4316 0.046 Uiso 1 1 calc R U . . .
C6 C 0.7976(2) 0.8145(2) 0.3199(2) 0.0407(9) Uani 1 1 d . . . . .
C7 C 0.7707(2) 0.8418(2) 0.2478(2) 0.0369(8) Uani 1 1 d . . . . .
H7 H 0.8056 0.8670 0.2059 0.044 Uiso 1 1 calc R U . . .
C8 C 0.69415(19) 0.83434(18) 0.23294(19) 0.0274(7) Uani 1 1 d . . . . .
C9 C 0.6180(2) 0.7255(2) 0.44019(18) 0.0316(7) Uani 1 1 d . . . . .
H9 H 0.5557 0.7404 0.4289 0.038 Uiso 1 1 calc R U . . .
C10 C 0.6138(3) 0.7477(3) 0.5146(2) 0.0469(9) Uani 1 1 d . . . . .
H10A H 0.6728 0.7210 0.5334 0.070 Uiso 1 1 calc R U . . .
H10B H 0.5706 0.7268 0.5534 0.070 Uiso 1 1 calc R U . . .
H10C H 0.5953 0.8097 0.5049 0.070 Uiso 1 1 calc R U . . .
C11 C 0.6651(2) 0.6299(2) 0.4508(2) 0.0401(8) Uani 1 1 d . . . . .
H11A H 0.7270 0.6144 0.4605 0.060 Uiso 1 1 calc R U . . .
H11B H 0.6644 0.6149 0.4040 0.060 Uiso 1 1 calc R U . . .
H11C H 0.6343 0.5990 0.4948 0.060 Uiso 1 1 calc R U . . .
C12 C 0.8848(2) 0.8219(2) 0.3307(2) 0.0506(10) Uani 1 1 d . . . . .
H12 H 0.9234 0.8182 0.2808 0.061 Uiso 1 1 calc R U . . .
C13 C 0.9355(2) 0.7496(3) 0.3900(2) 0.0529(11) Uani 1 1 d . . . . .
H13A H 0.9931 0.7549 0.3901 0.079 Uiso 1 1 calc R U . . .
H13B H 0.9454 0.6960 0.3783 0.079 Uiso 1 1 calc R U . . .
H13C H 0.9014 0.7501 0.4408 0.079 Uiso 1 1 calc R U . . .
C14 C 0.8682(3) 0.9085(3) 0.3378(3) 0.0602(12) Uani 1 1 d . . . . .
H14A H 0.8300 0.9166 0.3857 0.090 Uiso 1 1 calc R U . . .
H14B H 0.8386 0.9514 0.2936 0.090 Uiso 1 1 calc R U . . .
H14C H 0.9251 0.9147 0.3387 0.090 Uiso 1 1 calc R U . . .
C15 C 0.6765(2) 0.8593(2) 0.14989(18) 0.0310(7) Uani 1 1 d . . . . .
H15 H 0.6428 0.8242 0.1458 0.037 Uiso 1 1 calc R U . . .
C16 C 0.6186(3) 0.9530(2) 0.1231(2) 0.0426(9) Uani 1 1 d . . . . .
H16A H 0.5611 0.9634 0.1552 0.064 Uiso 1 1 calc R U . . .
H16B H 0.6086 0.9662 0.0691 0.064 Uiso 1 1 calc R U . . .
H16C H 0.6490 0.9893 0.1280 0.064 Uiso 1 1 calc R U . . .
C17 C 0.7619(2) 0.8419(3) 0.0940(2) 0.0532(11) Uani 1 1 d . . . . .
H17A H 0.7905 0.8835 0.0888 0.080 Uiso 1 1 calc R U . . .
H17B H 0.7470 0.8469 0.0435 0.080 Uiso 1 1 calc R U . . .
H17C H 0.8029 0.7843 0.1142 0.080 Uiso 1 1 calc R U . . .
C18 C 0.36536(17) 0.66397(17) 0.15997(16) 0.0180(6) Uani 1 1 d . . . . .
C19 C 0.34889(18) 0.58747(18) 0.20114(16) 0.0214(6) Uani 1 1 d . . . . .
C20 C 0.27118(19) 0.57687(19) 0.19312(17) 0.0253(7) Uani 1 1 d . . . . .
H20 H 0.2605 0.5256 0.2218 0.030 Uiso 1 1 calc R U . . .
C21 C 0.20940(19) 0.63766(19) 0.14537(18) 0.0259(7) Uani 1 1 d . . . . .
C22 C 0.23016(19) 0.70914(19) 0.09927(17) 0.0256(7) Uani 1 1 d . . . . .
H22 H 0.1905 0.7500 0.0630 0.031 Uiso 1 1 calc R U . . .
C23 C 0.30702(19) 0.72268(18) 0.10463(17) 0.0235(6) Uani 1 1 d . . . . .
C24 C 0.41487(19) 0.51208(18) 0.25103(17) 0.0253(7) Uani 1 1 d . . . . .
H24 H 0.4601 0.5323 0.2606 0.030 Uiso 1 1 calc R U . . .
C25 C 0.3730(2) 0.4721(2) 0.32924(19) 0.0360(8) Uani 1 1 d . . . . .
H25A H 0.3447 0.5147 0.3590 0.054 Uiso 1 1 calc R U . . .
H25B H 0.4194 0.4239 0.3576 0.054 Uiso 1 1 calc R U . . .
H25C H 0.3280 0.4521 0.3214 0.054 Uiso 1 1 calc R U . . .
C26 C 0.4635(2) 0.4438(2) 0.20714(19) 0.0334(7) Uani 1 1 d . . . . .
H26A H 0.4207 0.4213 0.1990 0.050 Uiso 1 1 calc R U . . .
H26B H 0.5097 0.3975 0.2372 0.050 Uiso 1 1 calc R U . . .
H26C H 0.4910 0.4689 0.1571 0.050 Uiso 1 1 calc R U . . .
C27 C 0.1186(2) 0.6329(2) 0.1434(2) 0.0334(8) Uani 1 1 d . . . . .
H27 H 0.1079 0.6489 0.0880 0.040 Uiso 1 1 calc R U . . .
C28 C 0.1120(2) 0.5444(2) 0.1809(2) 0.0400(9) Uani 1 1 d . . . . .
H28A H 0.1595 0.5029 0.1566 0.060 Uiso 1 1 calc R U . . .
H28B H 0.0538 0.5448 0.1742 0.060 Uiso 1 1 calc R U . . .
H28C H 0.1183 0.5288 0.2361 0.060 Uiso 1 1 calc R U . . .
C29 C 0.0459(2) 0.6978(2) 0.1816(2) 0.0496(10) Uani 1 1 d . . . . .
H29A H 0.0535 0.6824 0.2365 0.074 Uiso 1 1 calc R U . . .
H29B H -0.0127 0.6982 0.1762 0.074 Uiso 1 1 calc R U . . .
H29C H 0.0501 0.7545 0.1568 0.074 Uiso 1 1 calc R U . . .
C30 C 0.3247(2) 0.80000(19) 0.04707(18) 0.0290(7) Uani 1 1 d . . . . .
H30 H 0.3809 0.8021 0.0585 0.035 Uiso 1 1 calc R U . . .
C31 C 0.3395(3) 0.7915(3) -0.0347(2) 0.0665(14) Uani 1 1 d . . . . .
H31A H 0.3863 0.7371 -0.0379 0.100 Uiso 1 1 calc R U . . .
H31B H 0.3578 0.8385 -0.0702 0.100 Uiso 1 1 calc R U . . .
H31C H 0.2840 0.7936 -0.0489 0.100 Uiso 1 1 calc R U . . .
C32 C 0.2503(2) 0.8832(2) 0.0545(3) 0.0577(12) Uani 1 1 d . . . . .
H32A H 0.1939 0.8823 0.0451 0.087 Uiso 1 1 calc R U . . .
H32B H 0.2645 0.9312 0.0167 0.087 Uiso 1 1 calc R U . . .
H32C H 0.2448 0.8894 0.1066 0.087 Uiso 1 1 calc R U . . .
C33 C 0.29065(17) 0.85107(17) 0.38775(16) 0.0201(6) Uani 1 1 d . . . . .
C34 C 0.23036(18) 0.81294(18) 0.38251(17) 0.0229(6) Uani 1 1 d . . . . .
C35 C 0.15705(18) 0.81259(18) 0.43800(17) 0.0239(6) Uani 1 1 d . . . . .
H35 H 0.1173 0.7872 0.4330 0.029 Uiso 1 1 calc R U . . .
C36 C 0.13942(18) 0.84710(18) 0.49958(17) 0.0221(6) Uani 1 1 d . . . . .
C37 C 0.20104(19) 0.87993(18) 0.50681(17) 0.0235(6) Uani 1 1 d . . . . .
H37 H 0.1924 0.9016 0.5501 0.028 Uiso 1 1 calc R U . . .
C38 C 0.27512(18) 0.88250(17) 0.45339(17) 0.0212(6) Uani 1 1 d . . . . .
C39 C 0.2398(2) 0.7695(2) 0.32020(19) 0.0317(8) Uani 1 1 d . . . . .
H39 H 0.2968 0.7698 0.2868 0.038 Uiso 1 1 calc R U . . .
C40 C 0.1642(2) 0.8130(2) 0.2689(2) 0.0409(9) Uani 1 1 d . . . . .
H40A H 0.1074 0.8143 0.3007 0.061 Uiso 1 1 calc R U . . .
H40B H 0.1740 0.7813 0.2307 0.061 Uiso 1 1 calc R U . . .
H40C H 0.1624 0.8714 0.2423 0.061 Uiso 1 1 calc R U . . .
C41 C 0.2458(2) 0.6773(2) 0.3570(2) 0.0417(9) Uani 1 1 d . . . . .
H41A H 0.1896 0.6755 0.3884 0.063 Uiso 1 1 calc R U . . .
H41B H 0.2949 0.6487 0.3897 0.063 Uiso 1 1 calc R U . . .
H41C H 0.2569 0.6483 0.3165 0.063 Uiso 1 1 calc R U . . .
C42 C 0.05656(19) 0.84985(19) 0.55648(17) 0.0261(7) Uani 1 1 d . . . . .
H42 H 0.0542 0.8844 0.5913 0.031 Uiso 1 1 calc R U . . .
C43 C -0.0284(2) 0.8941(2) 0.5157(2) 0.0368(8) Uani 1 1 d . . . . .
H43A H -0.0284 0.9500 0.4823 0.055 Uiso 1 1 calc R U . . .
H43B H -0.0807 0.9015 0.5542 0.055 Uiso 1 1 calc R U . . .
H43C H -0.0307 0.8592 0.4844 0.055 Uiso 1 1 calc R U . . .
C44 C 0.0590(2) 0.7623(2) 0.6068(2) 0.0393(8) Uani 1 1 d . . . . .
H44A H 0.0621 0.7265 0.5743 0.059 Uiso 1 1 calc R U . . .
H44B H 0.0050 0.7676 0.6433 0.059 Uiso 1 1 calc R U . . .
H44C H 0.1116 0.7363 0.6353 0.059 Uiso 1 1 calc R U . . .
C45 C 0.33694(19) 0.91993(19) 0.46944(17) 0.0254(7) Uani 1 1 d . . . . .
H45 H 0.3853 0.9196 0.4256 0.031 Uiso 1 1 calc R U . . .
C46 C 0.3809(2) 0.8649(2) 0.54295(19) 0.0414(9) Uani 1 1 d . . . . .
H46A H 0.3350 0.8637 0.5870 0.062 Uiso 1 1 calc R U . . .
H46B H 0.4223 0.8889 0.5512 0.062 Uiso 1 1 calc R U . . .
H46C H 0.4138 0.8069 0.5379 0.062 Uiso 1 1 calc R U . . .
C47 C 0.2897(2) 1.0114(2) 0.4739(2) 0.0395(9) Uani 1 1 d . . . . .
H47A H 0.2621 1.0457 0.4262 0.059 Uiso 1 1 calc R U . . .
H47B H 0.3330 1.0343 0.4805 0.059 Uiso 1 1 calc R U . . .
H47C H 0.2435 1.0134 0.5179 0.059 Uiso 1 1 calc R U . . .
C48 C 0.34857(18) 0.99979(17) 0.28201(16) 0.0209(6) Uani 1 1 d . . . . .
C49 C 0.25964(19) 1.04891(18) 0.26484(17) 0.0251(7) Uani 1 1 d . . . . .
C50 C 0.2242(2) 1.13452(19) 0.2643(2) 0.0362(8) Uani 1 1 d . . . . .
H50 H 0.1645 1.1658 0.2526 0.043 Uiso 1 1 calc R U . . .
C51 C 0.2722(2) 1.1757(2) 0.2803(2) 0.0372(8) Uani 1 1 d . . . . .
C52 C 0.3604(2) 1.12936(19) 0.2926(2) 0.0345(8) Uani 1 1 d . . . . .
H52 H 0.3955 1.1572 0.3015 0.041 Uiso 1 1 calc R U . . .
C53 C 0.40031(19) 1.04397(18) 0.29263(17) 0.0252(7) Uani 1 1 d . . . . .
C54 C 0.19783(19) 1.01341(19) 0.24579(18) 0.0273(7) Uani 1 1 d . . . . .
H54 H 0.2307 0.9516 0.2492 0.033 Uiso 1 1 calc R U . . .
C55 C 0.1136(2) 1.0206(2) 0.3035(2) 0.0356(8) Uani 1 1 d . . . . .
H55A H 0.1307 0.9939 0.3561 0.053 Uiso 1 1 calc R U . . .
H55B H 0.0786 0.9916 0.2927 0.053 Uiso 1 1 calc R U . . .
H55C H 0.0776 1.0808 0.2984 0.053 Uiso 1 1 calc R U . . .
C56 C 0.1718(2) 1.0573(2) 0.1635(2) 0.0397(8) Uani 1 1 d . . . . .
H56A H 0.1364 1.1175 0.1595 0.059 Uiso 1 1 calc R U . . .
H56B H 0.1366 1.0296 0.1514 0.059 Uiso 1 1 calc R U . . .
H56C H 0.2259 1.0530 0.1271 0.059 Uiso 1 1 calc R U . . .
C57 C 0.2268(3) 1.2669(2) 0.2890(3) 0.0625(13) Uani 1 1 d . . . . .
H57 H 0.1765 1.2976 0.2559 0.075 Uiso 1 1 calc R U . . .
C58 C 0.1889(3) 1.2622(3) 0.3757(3) 0.0893(18) Uani 1 1 d . . . . .
H58A H 0.1434 1.2349 0.3898 0.134 Uiso 1 1 calc R U . . .
H58B H 0.1621 1.3199 0.3828 0.134 Uiso 1 1 calc R U . . .
H58C H 0.2374 1.2289 0.4086 0.134 Uiso 1 1 calc R U . . .
C59 C 0.2891(5) 1.3162(3) 0.2681(4) 0.117(2) Uani 1 1 d . . . . .
H59A H 0.3357 1.2890 0.3033 0.176 Uiso 1 1 calc R U . . .
H59B H 0.2559 1.3746 0.2722 0.176 Uiso 1 1 calc R U . . .
H59C H 0.3167 1.3175 0.2150 0.176 Uiso 1 1 calc R U . . .
C60 C 0.49996(19) 1.00520(19) 0.30267(19) 0.0290(7) Uani 1 1 d . . . . .
H60 H 0.5248 0.9515 0.2854 0.035 Uiso 1 1 calc R U . . .
C61 C 0.5212(2) 0.9829(2) 0.3854(2) 0.0443(9) Uani 1 1 d . . . . .
H61A H 0.4896 1.0324 0.4066 0.066 Uiso 1 1 calc R U . . .
H61B H 0.5855 0.9671 0.3859 0.066 Uiso 1 1 calc R U . . .
H61C H 0.5019 0.9350 0.4169 0.066 Uiso 1 1 calc R U . . .
C62 C 0.5500(2) 1.0650(2) 0.2525(2) 0.0410(9) Uani 1 1 d . . . . .
H62A H 0.5365 1.1125 0.2751 0.062 Uiso 1 1 calc R U . . .
H62B H 0.5311 1.0872 0.2004 0.062 Uiso 1 1 calc R U . . .
H62C H 0.6143 1.0336 0.2498 0.062 Uiso 1 1 calc R U . . .
C63 C 0.65596(17) 0.48349(17) 0.19583(16) 0.0204(6) Uani 1 1 d . . . . .
C64 C 0.68449(18) 0.45635(18) 0.12669(17) 0.0233(6) Uani 1 1 d . . . . .
C65 C 0.7297(2) 0.37098(19) 0.12885(18) 0.0273(7) Uani 1 1 d . . . . .
H65 H 0.7477 0.3550 0.0816 0.033 Uiso 1 1 calc R U . . .
C66 C 0.74951(19) 0.30874(19) 0.19647(18) 0.0273(7) Uani 1 1 d . . . . .
C67 C 0.72109(19) 0.33433(19) 0.26416(18) 0.0269(7) Uani 1 1 d . . . . .
H67 H 0.7345 0.2924 0.3116 0.032 Uiso 1 1 calc R U . . .
C68 C 0.67369(18) 0.41878(18) 0.26605(17) 0.0227(6) Uani 1 1 d . . . . .
C69 C 0.6682(2) 0.5159(2) 0.04690(17) 0.0275(7) Uani 1 1 d . . . . .
H69 H 0.6370 0.5751 0.0527 0.033 Uiso 1 1 calc R U . . .
C70 C 0.7571(2) 0.5133(2) -0.0037(2) 0.0399(8) Uani 1 1 d . . . . .
H70A H 0.7957 0.5237 0.0234 0.060 Uiso 1 1 calc R U . . .
H70B H 0.7456 0.5573 -0.0525 0.060 Uiso 1 1 calc R U . . .
H70C H 0.7866 0.4572 -0.0141 0.060 Uiso 1 1 calc R U . . .
C71 C 0.6088(3) 0.4959(2) 0.0069(2) 0.0454(9) Uani 1 1 d . . . . .
H71A H 0.6374 0.4377 0.0014 0.068 Uiso 1 1 calc R U . . .
H71B H 0.5999 0.5360 -0.0442 0.068 Uiso 1 1 calc R U . . .
H71C H 0.5509 0.5014 0.0379 0.068 Uiso 1 1 calc R U . . .
C72 C 0.7965(2) 0.2156(2) 0.1961(2) 0.0365(8) Uani 1 1 d . . . . .
H72 H 0.8173 0.2140 0.1411 0.044 Uiso 1 1 calc R U . . .
C73 C 0.7302(3) 0.1674(2) 0.2259(2) 0.0503(10) Uani 1 1 d . . . . .
H73A H 0.7124 0.1634 0.2810 0.075 Uiso 1 1 calc R U . . .
H73B H 0.7584 0.1100 0.2182 0.075 Uiso 1 1 calc R U . . .
H73C H 0.6774 0.1980 0.1976 0.075 Uiso 1 1 calc R U . . .
C74 C 0.8778(3) 0.1733(3) 0.2399(3) 0.0651(13) Uani 1 1 d . . . . .
H74A H 0.9174 0.2072 0.2207 0.098 Uiso 1 1 calc R U . . .
H74B H 0.9096 0.1160 0.2326 0.098 Uiso 1 1 calc R U . . .
H74C H 0.8592 0.1694 0.2950 0.098 Uiso 1 1 calc R U . . .
C75 C 0.6393(2) 0.43262(19) 0.34587(17) 0.0282(7) Uani 1 1 d . . . . .
H75 H 0.5926 0.4905 0.3393 0.034 Uiso 1 1 calc R U . . .
C76 C 0.7086(3) 0.4299(2) 0.3909(2) 0.0436(9) Uani 1 1 d . . . . .
H76A H 0.7557 0.3739 0.3982 0.065 Uiso 1 1 calc R U . . .
H76B H 0.6803 0.4398 0.4413 0.065 Uiso 1 1 calc R U . . .
H76C H 0.7344 0.4742 0.3623 0.065 Uiso 1 1 calc R U . . .
C77 C 0.5947(2) 0.3685(2) 0.39592(19) 0.0408(9) Uani 1 1 d . . . . .
H77A H 0.5602 0.3587 0.3643 0.061 Uiso 1 1 calc R U . . .
H77B H 0.5548 0.3910 0.4380 0.061 Uiso 1 1 calc R U . . .
H77C H 0.6405 0.3146 0.4175 0.061 Uiso 1 1 calc R U . . .
C78 C 0.70320(18) 0.64557(18) 0.11783(17) 0.0233(6) Uani 1 1 d . . . . .
C79 C 0.6940(2) 0.69780(19) 0.04112(18) 0.0284(7) Uani 1 1 d . . . . .
C80 C 0.7704(2) 0.7048(2) -0.0081(2) 0.0356(8) Uani 1 1 d . . . . .
H80 H 0.7635 0.7390 -0.0596 0.043 Uiso 1 1 calc R U . . .
C81 C 0.8547(2) 0.6648(2) 0.0144(2) 0.0405(9) Uani 1 1 d . . . . .
C82 C 0.8630(2) 0.6175(2) 0.0903(2) 0.0394(8) Uani 1 1 d . . . . .
H82 H 0.9207 0.5911 0.1076 0.047 Uiso 1 1 calc R U . . .
C83 C 0.78970(19) 0.60703(19) 0.14231(18) 0.0277(7) Uani 1 1 d . . . . .
C84 C 0.6061(2) 0.7498(2) 0.00560(19) 0.0413(9) Uani 1 1 d D . . . .
H84A H 0.5547 0.7431 0.0448 0.050 Uiso 0.70(2) 1 calc R U P A 1
H84B H 0.5638 0.7523 0.0537 0.050 Uiso 0.30(2) 1 calc R U P A 2
C85 C 0.5962(3) 0.8431(2) -0.0258(3) 0.0685(13) Uani 1 1 d D . . . .
H85A H 0.6379 0.8505 -0.0724 0.103 Uiso 1 1 calc R U . . .
H85B H 0.6094 0.8628 0.0131 0.103 Uiso 1 1 calc R U . . .
H85C H 0.5350 0.8764 -0.0385 0.103 Uiso 1 1 calc R U . . .
C86A C 0.6024(8) 0.7248(5) -0.0657(5) 0.066(3) Uani 0.70(2) 1 d D U P A 1
H86A H 0.6083 0.6645 -0.0514 0.099 Uiso 0.70(2) 1 calc R U P A 1
H86B H 0.5453 0.7596 -0.0867 0.099 Uiso 0.70(2) 1 calc R U P A 1
H86C H 0.6513 0.7342 -0.1048 0.099 Uiso 0.70(2) 1 calc R U P A 1
C86B C 0.5607(16) 0.7183(12) -0.0367(15) 0.066(4) Uani 0.30(2) 1 d D U P A 2
H86D H 0.5703 0.6577 -0.0128 0.098 Uiso 0.30(2) 1 calc R U P A 2
H86E H 0.4966 0.7506 -0.0337 0.098 Uiso 0.30(2) 1 calc R U P A 2
H86F H 0.5859 0.7263 -0.0909 0.098 Uiso 0.30(2) 1 calc R U P A 2
C87 C 0.9363(3) 0.6755(3) -0.0406(2) 0.0659(13) Uani 1 1 d D . . . .
H87A H 0.9831 0.6209 -0.0180 0.079 Uiso 0.506(8) 1 calc R U P B 1
H87B H 0.9138 0.7035 -0.0925 0.079 Uiso 0.494(8) 1 calc R U P B 2
C88 C 0.9680(3) 0.7366(3) -0.0267(2) 0.0668(13) Uani 1 1 d D . . . .
H88A H 0.9781 0.7202 0.0276 0.100 Uiso 1 1 calc R U . . .
H88B H 0.9230 0.7937 -0.0392 0.100 Uiso 1 1 calc R U . . .
H88C H 1.0239 0.7368 -0.0594 0.100 Uiso 1 1 calc R U . . .
C89A C 0.9387(6) 0.6642(6) -0.1161(4) 0.068(3) Uiso 0.506(8) 1 d D U P B 1
H89A H 0.9139 0.6198 -0.1105 0.101 Uiso 0.506(8) 1 calc R U P B 1
H89B H 0.9032 0.7179 -0.1490 0.101 Uiso 0.506(8) 1 calc R U P B 1
H89C H 1.0005 0.6474 -0.1398 0.101 Uiso 0.506(8) 1 calc R U P B 1
C89B C 1.0079(6) 0.5988(5) -0.0500(6) 0.074(3) Uiso 0.494(8) 1 d D U P B 2
H89D H 0.9837 0.5600 -0.0591 0.111 Uiso 0.494(8) 1 calc R U P B 2
H89E H 1.0502 0.6129 -0.0941 0.111 Uiso 0.494(8) 1 calc R U P B 2
H89F H 1.0386 0.5712 -0.0031 0.111 Uiso 0.494(8) 1 calc R U P B 2
C90 C 0.80680(19) 0.5547(2) 0.22418(18) 0.0290(7) Uani 1 1 d . . . . .
H90 H 0.7489 0.5488 0.2519 0.035 Uiso 1 1 calc R U . . .
C91 C 0.8360(2) 0.6007(2) 0.2665(2) 0.0368(8) Uani 1 1 d . . . . .
H91A H 0.8933 0.6067 0.2414 0.055 Uiso 1 1 calc R U . . .
H91B H 0.8423 0.5676 0.3203 0.055 Uiso 1 1 calc R U . . .
H91C H 0.7910 0.6572 0.2648 0.055 Uiso 1 1 calc R U . . .
C92 C 0.8734(2) 0.4650(2) 0.2278(2) 0.0414(9) Uani 1 1 d . . . . .
H92A H 0.8531 0.4371 0.2003 0.062 Uiso 1 1 calc R U . . .
H92B H 0.8780 0.4320 0.2818 0.062 Uiso 1 1 calc R U . . .
H92C H 0.9320 0.4683 0.2035 0.062 Uiso 1 1 calc R U . . .
C93 C 0.9796(6) 0.9896(6) 0.0461(5) 0.058(2) Uani 0.5 1 d . U P . .
C94 C 0.9906(3) 0.9342(3) 0.0041(3) 0.0683(13) Uani 1 1 d . U . . .
C95 C 1.0246(6) 0.9325(8) -0.0672(7) 0.083(3) Uani 0.5 1 d . U P . .
C96 C 1.0539(5) 1.0121(5) -0.1200(4) 0.122(2) Uani 1 1 d . U . . .
C97 C 1.0421(6) 1.0650(8) -0.0752(7) 0.080(3) Uani 0.5 1 d . U P . .
C98 C 0.1121(8) 0.5172(7) 0.4289(8) 0.096(3) Uani 0.5 1 d . U P . .
C99 C 0.0932(6) 0.5498(5) 0.5097(7) 0.073(3) Uani 0.5 1 d . U P . .
C100 C 0.0100(13) 0.5304(14) 0.5539(12) 0.123(5) Uani 0.5 1 d . U P . .
C101 C -0.0665(12) 0.5054(14) 0.5580(15) 0.131(5) Uani 0.5 1 d . U P . .
C102 C -0.0398(11) 0.4764(12) 0.4726(14) 0.119(4) Uani 0.5 1 d . U P . .
C103 C 0.0351(9) 0.4908(9) 0.4392(11) 0.088(4) Uani 0.5 1 d . U P . .


_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 C1 1.966(3) . ?
Ge1 Si1 2.4097(8) . ?
Ge1 Si2 2.4173(8) . ?
Ge1 Si3 2.4595(8) . ?
Ge2 C2 1.973(3) . ?
Ge2 Si1 2.3725(8) . ?
Ge2 Si2 2.4163(8) . ?
Ge2 Si4 2.4568(8) . ?
Si1 C3 1.907(3) . ?
Si1 Si3 2.3395(10) . ?
Si2 C18 1.909(3) . ?
Si2 Si4 2.3881(10) . ?
Si3 C33 1.936(3) . ?
Si3 C48 1.937(3) . ?
Si4 C78 1.932(3) . ?
Si4 C63 1.949(3) . ?
C1 H1A 0.89(4) . ?
C1 H1B 0.86(5) . ?
C1 H1C 0.98(5) . ?
C2 H2A 0.99(3) . ?
C2 H2B 0.97(3) . ?
C2 H2C 0.92(3) . ?
C3 C4 1.410(4) . ?
C3 C8 1.421(4) . ?
C4 C5 1.396(4) . ?
C4 C9 1.530(4) . ?
C5 C6 1.390(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.365(5) . ?
C6 C12 1.538(4) . ?
C7 C8 1.395(4) . ?
C7 H7 0.9500 . ?
C8 C15 1.507(4) . ?
C9 C10 1.519(5) . ?
C9 C11 1.525(5) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.480(5) . ?
C12 C14 1.487(5) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.530(5) . ?
C15 C17 1.534(4) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C23 1.415(4) . ?
C18 C19 1.415(4) . ?
C19 C20 1.395(4) . ?
C19 C24 1.522(4) . ?
C20 C21 1.374(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.394(4) . ?
C21 C27 1.525(4) . ?
C22 C23 1.392(4) . ?
C22 H22 0.9500 . ?
C23 C30 1.520(4) . ?
C24 C25 1.528(4) . ?
C24 C26 1.528(4) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C29 1.523(5) . ?
C27 C28 1.526(5) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.516(5) . ?
C30 C32 1.527(5) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C38 1.418(4) . ?
C33 C34 1.420(4) . ?
C34 C35 1.397(4) . ?
C34 C39 1.520(4) . ?
C35 C36 1.377(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.384(4) . ?
C36 C42 1.517(4) . ?
C37 C38 1.391(4) . ?
C37 H37 0.9500 . ?
C38 C45 1.517(4) . ?
C39 C41 1.520(5) . ?
C39 C40 1.522(5) . ?
C39 H39 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C44 1.514(4) . ?
C42 C43 1.530(4) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C47 1.517(4) . ?
C45 C46 1.526(4) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.419(4) . ?
C48 C53 1.424(4) . ?
C49 C50 1.390(4) . ?
C49 C54 1.518(4) . ?
C50 C51 1.376(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.382(5) . ?
C51 C57 1.534(5) . ?
C52 C53 1.391(4) . ?
C52 H52 0.9500 . ?
C53 C60 1.531(4) . ?
C54 C56 1.531(4) . ?
C54 C55 1.536(4) . ?
C54 H54 1.0000 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C59 1.495(7) . ?
C57 C58 1.569(7) . ?
C57 H57 1.0000 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C61 1.526(5) . ?
C60 C62 1.532(4) . ?
C60 H60 1.0000 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C68 1.421(4) . ?
C63 C64 1.422(4) . ?
C64 C65 1.389(4) . ?
C64 C69 1.515(4) . ?
C65 C66 1.373(4) . ?
C65 H65 0.9500 . ?
C66 C67 1.384(4) . ?
C66 C72 1.522(4) . ?
C67 C68 1.397(4) . ?
C67 H67 0.9500 . ?
C68 C75 1.515(4) . ?
C69 C71 1.527(4) . ?
C69 C70 1.540(4) . ?
C69 H69 1.0000 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 C74 1.512(5) . ?
C72 C73 1.532(5) . ?
C72 H72 1.0000 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.516(4) . ?
C75 C77 1.528(4) . ?
C75 H75 1.0000 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 C83 1.414(4) . ?
C78 C79 1.420(4) . ?
C79 C80 1.397(4) . ?
C79 C84 1.529(5) . ?
C80 C81 1.370(5) . ?
C80 H80 0.9500 . ?
C81 C82 1.383(5) . ?
C81 C87 1.525(5) . ?
C82 C83 1.395(4) . ?
C82 H82 0.9500 . ?
C83 C90 1.514(4) . ?
C84 C85 1.514(4) . ?
C84 C86B 1.515(5) . ?
C84 C86A 1.529(5) . ?
C84 H84A 1.0000 . ?
C84 H84B 1.0000 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86A H86A 0.9800 . ?
C86A H86B 0.9800 . ?
C86A H86C 0.9800 . ?
C86B H86D 0.9800 . ?
C86B H86E 0.9800 . ?
C86B H86F 0.9800 . ?
C87 C89B 1.440(5) . ?
C87 C89A 1.455(5) . ?
C87 C88 1.465(4) . ?
C87 H87A 1.0000 . ?
C87 H87B 1.0000 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89A H89A 0.9800 . ?
C89A H89B 0.9800 . ?
C89A H89C 0.9800 . ?
C89B H89D 0.9800 . ?
C89B H89E 0.9800 . ?
C89B H89F 0.9800 . ?
C90 C92 1.527(4) . ?
C90 C91 1.529(4) . ?
C90 H90 1.0000 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C97 1.091(12) 2_775 ?
C93 C96 1.347(11) 2_775 ?
C93 C94 1.366(10) . ?
C93 C95 1.512(15) 2_775 ?
C93 C94 1.552(10) 2_775 ?
C93 C93 1.663(18) 2_775 ?
C94 C97 1.304(12) 2_775 ?
C94 C95 1.314(12) . ?
C94 C93 1.552(10) 2_775 ?
C95 C93 1.512(15) 2_775 ?
C95 C96 1.608(14) . ?
C96 C93 1.347(11) 2_775 ?
C96 C97 1.367(14) . ?
C97 C93 1.091(12) 2_775 ?
C97 C94 1.304(12) 2_775 ?
C98 C101 0.93(2) 2_566 ?
C98 C103 1.457(15) . ?
C98 C99 1.686(17) . ?
C98 C102 1.95(3) 2_566 ?
C99 C102 1.081(19) 2_566 ?
C99 C100 1.53(2) . ?
C99 C101 2.00(3) 2_566 ?
C100 C102 0.62(3) 2_566 ?
C100 C103 0.91(2) 2_566 ?
C100 C101 1.46(3) . ?
C101 C103 0.56(2) 2_566 ?
C101 C98 0.93(2) 2_566 ?
C101 C102 1.72(3) . ?
C101 C102 1.82(3) 2_566 ?
C101 C99 2.00(3) 2_566 ?
C102 C100 0.62(3) 2_566 ?
C102 C99 1.081(19) 2_566 ?
C102 C103 1.326(17) . ?
C102 C101 1.82(3) 2_566 ?
C102 C103 1.91(3) 2_566 ?
C102 C98 1.95(3) 2_566 ?
C103 C101 0.56(2) 2_566 ?
C103 C100 0.91(2) 2_566 ?
C103 C102 1.91(3) 2_566 ?

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
C1 Ge1 Si1 126.06(12) . . ?
C1 Ge1 Si2 128.73(13) . . ?
Si1 Ge1 Si2 95.06(3) . . ?
C1 Ge1 Si3 109.35(14) . . ?
Si1 Ge1 Si3 57.42(3) . . ?
Si2 Ge1 Si3 119.08(3) . . ?
C2 Ge2 Si1 116.58(10) . . ?
C2 Ge2 Si2 125.65(10) . . ?
Si1 Ge2 Si2 96.06(3) . . ?
C2 Ge2 Si4 132.92(10) . . ?
Si1 Ge2 Si4 108.47(3) . . ?
Si2 Ge2 Si4 58.68(3) . . ?
C3 Si1 Si3 132.64(9) . . ?
C3 Si1 Ge2 117.24(9) . . ?
Si3 Si1 Ge2 105.09(3) . . ?
C3 Si1 Ge1 138.72(10) . . ?
Si3 Si1 Ge1 62.36(3) . . ?
Ge2 Si1 Ge1 83.95(3) . . ?
C18 Si2 Si4 126.28(9) . . ?
C18 Si2 Ge2 133.07(9) . . ?
Si4 Si2 Ge2 61.51(3) . . ?
C18 Si2 Ge1 121.14(9) . . ?
Si4 Si2 Ge1 111.25(3) . . ?
Ge2 Si2 Ge1 82.86(3) . . ?
C33 Si3 C48 104.70(12) . . ?
C33 Si3 Si1 128.57(9) . . ?
C48 Si3 Si1 119.19(9) . . ?
C33 Si3 Ge1 130.83(9) . . ?
C48 Si3 Ge1 107.73(9) . . ?
Si1 Si3 Ge1 60.22(3) . . ?
C78 Si4 C63 104.44(12) . . ?
C78 Si4 Si2 121.41(9) . . ?
C63 Si4 Si2 123.82(8) . . ?
C78 Si4 Ge2 125.65(9) . . ?
C63 Si4 Ge2 117.52(9) . . ?
Si2 Si4 Ge2 59.81(3) . . ?
Ge1 C1 H1A 105(3) . . ?
Ge1 C1 H1B 115(3) . . ?
H1A C1 H1B 113(4) . . ?
Ge1 C1 H1C 112(3) . . ?
H1A C1 H1C 101(4) . . ?
H1B C1 H1C 109(4) . . ?
Ge2 C2 H2A 115.0(17) . . ?
Ge2 C2 H2B 108.1(18) . . ?
H2A C2 H2B 108(2) . . ?
Ge2 C2 H2C 104.8(19) . . ?
H2A C2 H2C 108(3) . . ?
H2B C2 H2C 113(3) . . ?
C4 C3 C8 118.5(2) . . ?
C4 C3 Si1 118.5(2) . . ?
C8 C3 Si1 123.0(2) . . ?
C5 C4 C3 119.6(3) . . ?
C5 C4 C9 117.7(3) . . ?
C3 C4 C9 122.5(2) . . ?
C6 C5 C4 121.9(3) . . ?
C6 C5 H5 119.0 . . ?
C4 C5 H5 119.0 . . ?
C7 C6 C5 118.1(3) . . ?
C7 C6 C12 119.4(3) . . ?
C5 C6 C12 122.4(3) . . ?
C6 C7 C8 122.9(3) . . ?
C6 C7 H7 118.6 . . ?
C8 C7 H7 118.6 . . ?
C7 C8 C3 119.0(3) . . ?
C7 C8 C15 117.6(3) . . ?
C3 C8 C15 123.4(2) . . ?
C10 C9 C11 109.4(3) . . ?
C10 C9 C4 113.9(3) . . ?
C11 C9 C4 108.5(3) . . ?
C10 C9 H9 108.3 . . ?
C11 C9 H9 108.3 . . ?
C4 C9 H9 108.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C14 116.2(3) . . ?
C13 C12 C6 113.4(3) . . ?
C14 C12 C6 110.2(3) . . ?
C13 C12 H12 105.3 . . ?
C14 C12 H12 105.3 . . ?
C6 C12 H12 105.3 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C15 C16 112.4(3) . . ?
C8 C15 C17 113.2(3) . . ?
C16 C15 C17 108.7(3) . . ?
C8 C15 H15 107.4 . . ?
C16 C15 H15 107.4 . . ?
C17 C15 H15 107.4 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 C19 117.8(2) . . ?
C23 C18 Si2 120.38(19) . . ?
C19 C18 Si2 121.7(2) . . ?
C20 C19 C18 119.7(3) . . ?
C20 C19 C24 116.9(2) . . ?
C18 C19 C24 123.3(2) . . ?
C21 C20 C19 122.6(3) . . ?
C21 C20 H20 118.7 . . ?
C19 C20 H20 118.7 . . ?
C20 C21 C22 117.4(3) . . ?
C20 C21 C27 123.6(3) . . ?
C22 C21 C27 118.9(3) . . ?
C23 C22 C21 122.2(3) . . ?
C23 C22 H22 118.9 . . ?
C21 C22 H22 118.9 . . ?
C22 C23 C18 119.7(3) . . ?
C22 C23 C30 116.6(3) . . ?
C18 C23 C30 123.6(2) . . ?
C19 C24 C25 114.4(2) . . ?
C19 C24 C26 109.3(2) . . ?
C25 C24 C26 109.0(2) . . ?
C19 C24 H24 108.0 . . ?
C25 C24 H24 108.0 . . ?
C26 C24 H24 108.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C29 C27 C21 109.6(3) . . ?
C29 C27 C28 109.9(3) . . ?
C21 C27 C28 113.7(3) . . ?
C29 C27 H27 107.8 . . ?
C21 C27 H27 107.8 . . ?
C28 C27 H27 107.8 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C23 110.8(3) . . ?
C31 C30 C32 110.8(3) . . ?
C23 C30 C32 112.2(3) . . ?
C31 C30 H30 107.6 . . ?
C23 C30 H30 107.6 . . ?
C32 C30 H30 107.6 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C38 C33 C34 116.7(2) . . ?
C38 C33 Si3 118.16(19) . . ?
C34 C33 Si3 124.5(2) . . ?
C35 C34 C33 119.8(3) . . ?
C35 C34 C39 115.6(2) . . ?
C33 C34 C39 124.6(2) . . ?
C36 C35 C34 123.4(3) . . ?
C36 C35 H35 118.3 . . ?
C34 C35 H35 118.3 . . ?
C35 C36 C37 116.5(3) . . ?
C35 C36 C42 122.1(2) . . ?
C37 C36 C42 121.4(3) . . ?
C36 C37 C38 122.8(3) . . ?
C36 C37 H37 118.6 . . ?
C38 C37 H37 118.6 . . ?
C37 C38 C33 120.6(2) . . ?
C37 C38 C45 116.7(3) . . ?
C33 C38 C45 122.8(2) . . ?
C34 C39 C41 109.8(3) . . ?
C34 C39 C40 113.8(3) . . ?
C41 C39 C40 108.9(3) . . ?
C34 C39 H39 108.1 . . ?
C41 C39 H39 108.1 . . ?
C40 C39 H39 108.1 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C44 C42 C36 112.5(2) . . ?
C44 C42 C43 110.3(3) . . ?
C36 C42 C43 111.6(3) . . ?
C44 C42 H42 107.4 . . ?
C36 C42 H42 107.4 . . ?
C43 C42 H42 107.4 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C38 C45 C47 112.3(2) . . ?
C38 C45 C46 110.8(2) . . ?
C47 C45 C46 110.7(3) . . ?
C38 C45 H45 107.6 . . ?
C47 C45 H45 107.6 . . ?
C46 C45 H45 107.6 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C53 116.7(3) . . ?
C49 C48 Si3 116.2(2) . . ?
C53 C48 Si3 126.1(2) . . ?
C50 C49 C48 120.6(3) . . ?
C50 C49 C54 115.9(3) . . ?
C48 C49 C54 123.5(3) . . ?
C51 C50 C49 122.5(3) . . ?
C51 C50 H50 118.7 . . ?
C49 C50 H50 118.7 . . ?
C50 C51 C52 117.0(3) . . ?
C50 C51 C57 120.5(3) . . ?
C52 C51 C57 122.4(3) . . ?
C51 C52 C53 123.3(3) . . ?
C51 C52 H52 118.4 . . ?
C53 C52 H52 118.4 . . ?
C52 C53 C48 119.6(3) . . ?
C52 C53 C60 115.5(3) . . ?
C48 C53 C60 124.9(3) . . ?
C49 C54 C56 111.4(3) . . ?
C49 C54 C55 111.9(3) . . ?
C56 C54 C55 109.9(3) . . ?
C49 C54 H54 107.8 . . ?
C56 C54 H54 107.8 . . ?
C55 C54 H54 107.8 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C59 C57 C51 113.2(4) . . ?
C59 C57 C58 107.5(4) . . ?
C51 C57 C58 108.4(4) . . ?
C59 C57 H57 109.3 . . ?
C51 C57 H57 109.3 . . ?
C58 C57 H57 109.3 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C61 C60 C53 114.4(3) . . ?
C61 C60 C62 107.3(3) . . ?
C53 C60 C62 111.4(3) . . ?
C61 C60 H60 107.8 . . ?
C53 C60 H60 107.8 . . ?
C62 C60 H60 107.8 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C68 C63 C64 116.5(3) . . ?
C68 C63 Si4 125.7(2) . . ?
C64 C63 Si4 117.2(2) . . ?
C65 C64 C63 120.8(3) . . ?
C65 C64 C69 115.3(3) . . ?
C63 C64 C69 123.9(3) . . ?
C66 C65 C64 122.7(3) . . ?
C66 C65 H65 118.6 . . ?
C64 C65 H65 118.6 . . ?
C65 C66 C67 116.9(3) . . ?
C65 C66 C72 120.7(3) . . ?
C67 C66 C72 122.2(3) . . ?
C66 C67 C68 123.2(3) . . ?
C66 C67 H67 118.4 . . ?
C68 C67 H67 118.4 . . ?
C67 C68 C63 119.7(3) . . ?
C67 C68 C75 115.3(3) . . ?
C63 C68 C75 124.8(3) . . ?
C64 C69 C71 112.3(3) . . ?
C64 C69 C70 110.7(3) . . ?
C71 C69 C70 110.1(3) . . ?
C64 C69 H69 107.8 . . ?
C71 C69 H69 107.8 . . ?
C70 C69 H69 107.8 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C74 C72 C66 112.8(3) . . ?
C74 C72 C73 111.9(3) . . ?
C66 C72 C73 110.0(3) . . ?
C74 C72 H72 107.3 . . ?
C66 C72 H72 107.3 . . ?
C73 C72 H72 107.3 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C68 C75 C76 115.3(3) . . ?
C68 C75 C77 111.9(3) . . ?
C76 C75 C77 107.6(3) . . ?
C68 C75 H75 107.2 . . ?
C76 C75 H75 107.2 . . ?
C77 C75 H75 107.2 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C75 C77 H77A 109.5 . . ?
C75 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C75 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C83 C78 C79 117.9(3) . . ?
C83 C78 Si4 116.2(2) . . ?
C79 C78 Si4 124.9(2) . . ?
C80 C79 C78 119.2(3) . . ?
C80 C79 C84 115.0(3) . . ?
C78 C79 C84 125.9(3) . . ?
C81 C80 C79 123.1(3) . . ?
C81 C80 H80 118.4 . . ?
C79 C80 H80 118.4 . . ?
C80 C81 C82 117.5(3) . . ?
C80 C81 C87 121.5(3) . . ?
C82 C81 C87 120.9(3) . . ?
C81 C82 C83 122.4(3) . . ?
C81 C82 H82 118.8 . . ?
C83 C82 H82 118.8 . . ?
C82 C83 C78 119.8(3) . . ?
C82 C83 C90 117.7(3) . . ?
C78 C83 C90 122.5(3) . . ?
C85 C84 C86B 114.8(8) . . ?
C85 C84 C86A 102.9(4) . . ?
C85 C84 C79 111.4(3) . . ?
C86B C84 C79 125.3(8) . . ?
C86A C84 C79 112.1(4) . . ?
C85 C84 H84A 110.1 . . ?
C86A C84 H84A 110.1 . . ?
C79 C84 H84A 110.1 . . ?
C85 C84 H84B 99.8 . . ?
C86B C84 H84B 99.8 . . ?
C79 C84 H84B 99.8 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 C86A H86A 109.5 . . ?
C84 C86A H86B 109.5 . . ?
H86A C86A H86B 109.5 . . ?
C84 C86A H86C 109.5 . . ?
H86A C86A H86C 109.5 . . ?
H86B C86A H86C 109.5 . . ?
C84 C86B H86D 109.5 . . ?
C84 C86B H86E 109.5 . . ?
H86D C86B H86E 109.5 . . ?
C84 C86B H86F 109.5 . . ?
H86D C86B H86F 109.5 . . ?
H86E C86B H86F 109.5 . . ?
C89B C87 C88 112.4(5) . . ?
C89A C87 C88 124.7(5) . . ?
C89B C87 C81 116.9(5) . . ?
C89A C87 C81 113.8(5) . . ?
C88 C87 C81 112.3(3) . . ?
C89A C87 H87A 100.1 . . ?
C88 C87 H87A 100.1 . . ?
C81 C87 H87A 100.1 . . ?
C89B C87 H87B 104.6 . . ?
C88 C87 H87B 104.6 . . ?
C81 C87 H87B 104.6 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C87 C89A H89A 109.5 . . ?
C87 C89A H89B 109.5 . . ?
H89A C89A H89B 109.5 . . ?
C87 C89A H89C 109.5 . . ?
H89A C89A H89C 109.5 . . ?
H89B C89A H89C 109.5 . . ?
C87 C89B H89D 109.5 . . ?
C87 C89B H89E 109.5 . . ?
H89D C89B H89E 109.5 . . ?
C87 C89B H89F 109.5 . . ?
H89D C89B H89F 109.5 . . ?
H89E C89B H89F 109.5 . . ?
C83 C90 C92 112.5(3) . . ?
C83 C90 C91 111.2(3) . . ?
C92 C90 C91 111.2(3) . . ?
C83 C90 H90 107.2 . . ?
C92 C90 H90 107.2 . . ?
C91 C90 H90 107.2 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C90 C92 H92A 109.5 . . ?
C90 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C90 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C97 C93 C96 67.3(9) 2_775 2_775 ?
C97 C93 C94 62.9(9) 2_775 . ?
C96 C93 C94 130.2(8) 2_775 . ?
C97 C93 C95 135.3(12) 2_775 2_775 ?
C96 C93 C95 68.2(7) 2_775 2_775 ?
C94 C93 C95 161.4(9) . 2_775 ?
C97 C93 C94 173.4(12) 2_775 2_775 ?
C96 C93 C94 118.9(8) 2_775 2_775 ?
C94 C93 C94 110.9(7) . 2_775 ?
C95 C93 C94 50.8(6) 2_775 2_775 ?
C97 C93 C93 123.6(13) 2_775 2_775 ?
C96 C93 C93 169.0(11) 2_775 2_775 ?
C94 C93 C93 60.7(6) . 2_775 ?
C95 C93 C93 100.9(9) 2_775 2_775 ?
C94 C93 C93 50.2(5) 2_775 2_775 ?
C97 C94 C95 179.1(9) 2_775 . ?
C97 C94 C93 48.2(6) 2_775 . ?
C95 C94 C93 132.1(8) . . ?
C97 C94 C93 117.3(8) 2_775 2_775 ?
C95 C94 C93 63.1(7) . 2_775 ?
C93 C94 C93 69.1(7) . 2_775 ?
C94 C95 C93 66.2(6) . 2_775 ?
C94 C95 C96 117.2(9) . . ?
C93 C95 C96 51.0(6) 2_775 . ?
C93 C96 C97 47.4(6) 2_775 . ?
C93 C96 C95 60.8(6) 2_775 . ?
C97 C96 C95 108.2(8) . . ?
C93 C97 C94 68.9(8) 2_775 2_775 ?
C93 C97 C96 65.3(10) 2_775 . ?
C94 C97 C96 134.2(10) 2_775 . ?
C101 C98 C103 8.5(19) 2_566 . ?
C101 C98 C99 96(2) 2_566 . ?
C103 C98 C99 99.8(11) . . ?
C101 C98 C102 62(2) 2_566 2_566 ?
C103 C98 C102 66.5(11) . 2_566 ?
C99 C98 C102 33.6(9) . 2_566 ?
C102 C99 C100 19(2) 2_566 . ?
C102 C99 C98 86.6(18) 2_566 . ?
C100 C99 C98 105.1(12) . . ?
C102 C99 C101 59.1(18) 2_566 2_566 ?
C100 C99 C101 77.7(12) . 2_566 ?
C98 C99 C101 27.5(6) . 2_566 ?
C102 C100 C103 119(6) 2_566 2_566 ?
C102 C100 C101 118(6) 2_566 . ?
C103 C100 C101 6.7(18) 2_566 . ?
C102 C100 C99 35(4) 2_566 . ?
C103 C100 C99 153(3) 2_566 . ?
C101 C100 C99 151(2) . . ?
C103 C101 C98 157(5) 2_566 2_566 ?
C103 C101 C100 11(3) 2_566 . ?
C98 C101 C100 168(3) 2_566 . ?
C103 C101 C102 102(4) 2_566 . ?
C98 C101 C102 90(2) 2_566 . ?
C100 C101 C102 98.5(15) . . ?
C103 C101 C102 22(3) 2_566 2_566 ?
C98 C101 C102 165(3) 2_566 2_566 ?
C100 C101 C102 17.4(16) . 2_566 ?
C102 C101 C102 81.1(16) . 2_566 ?
C103 C101 C99 132(4) 2_566 2_566 ?
C98 C101 C99 56.9(19) 2_566 2_566 ?
C100 C101 C99 130.5(19) . 2_566 ?
C102 C101 C99 32.7(8) . 2_566 ?
C102 C101 C99 113.1(17) 2_566 2_566 ?
C100 C102 C99 126(6) 2_566 2_566 ?
C100 C102 C103 37(4) 2_566 . ?
C99 C102 C103 163(3) 2_566 . ?
C100 C102 C101 143(5) 2_566 . ?
C99 C102 C101 88.2(18) 2_566 . ?
C103 C102 C101 107(2) . . ?
C100 C102 C101 45(4) 2_566 2_566 ?
C99 C102 C101 166(2) 2_566 2_566 ?
C103 C102 C101 9.1(15) . 2_566 ?
C101 C102 C101 98.9(16) . 2_566 ?
C100 C102 C103 127(5) 2_566 2_566 ?
C99 C102 C103 103.7(19) 2_566 2_566 ?
C103 C102 C103 91.0(18) . 2_566 ?
C101 C102 C103 16.6(7) . 2_566 ?
C101 C102 C103 82.5(14) 2_566 2_566 ?
C100 C102 C98 167(4) 2_566 2_566 ?
C99 C102 C98 59.8(12) 2_566 2_566 ?
C103 C102 C98 135(2) . 2_566 ?
C101 C102 C98 28.4(9) . 2_566 ?
C101 C102 C98 127(2) 2_566 2_566 ?
C103 C102 C98 44.4(8) 2_566 2_566 ?
C101 C103 C100 162(5) 2_566 2_566 ?
C101 C103 C102 149(5) 2_566 . ?
C100 C103 C102 24(2) 2_566 . ?
C101 C103 C98 14(3) 2_566 . ?
C100 C103 C98 175(2) 2_566 . ?
C102 C103 C98 158(2) . . ?
C101 C103 C102 62(4) 2_566 2_566 ?
C100 C103 C102 112(2) 2_566 2_566 ?
C102 C103 C102 89.0(18) . 2_566 ?
C98 C103 C102 69.2(10) . 2_566 ?

_refine_diff_density_max         1.330
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.080

_shelxl_version_number           2014/6



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
####################################################################### 
# 
# 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_sh3557
_database_code_depnum_ccdc_archive 'CCDC 1439297'
_audit_update_record             
;
2015-11-27 deposited with the CCDC.
2016-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H144 Ge2 Si4, 0.5(C7 H8)'
_chemical_formula_sum            'C95.50 H152 Ge2 Si4'
_chemical_formula_weight         1557.70

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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   33.8499(14)
_cell_length_b                   26.2285(14)
_cell_length_c                   20.2919(8)
_cell_angle_alpha                90
_cell_angle_beta                 97.911(2)
_cell_angle_gamma                90
_cell_volume                     17844.3(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    133(2)
_cell_measurement_reflns_used    9910
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      25.52

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.160
_exptl_crystal_F_000             6760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.389
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.046
_exptl_absorpt_coefficient_mu    0.771
_shelx_estimated_absorpt_T_min   0.754
_shelx_estimated_absorpt_T_max   0.965
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6755
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS, BrukerAXS 2014/4'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      133(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            136792
_diffrn_reflns_av_unetI/netI     0.0711
_diffrn_reflns_av_R_equivalents  0.0917
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.215
_diffrn_reflns_theta_max         26.502
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             18398
_reflns_number_gt                12500
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0437P)²+30.1432P] 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         18398
_refine_ls_number_parameters     987
_refine_ls_number_restraints     110
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0462
_refine_ls_wR_factor_ref         0.1105
_refine_ls_wR_factor_gt          0.0950
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.013
_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 0.26448(2) 0.33336(2) 0.33143(2) 0.01609(8) Uani 1 1 d . . . . .
Ge2 Ge 0.24156(2) 0.42219(2) 0.32706(2) 0.01513(8) Uani 1 1 d . . . . .
Si1 Si 0.21270(2) 0.33959(3) 0.23584(4) 0.01601(17) Uani 1 1 d . . . . .
Si2 Si 0.26386(2) 0.40452(3) 0.22004(4) 0.01553(17) Uani 1 1 d . . . . .
Si3 Si 0.17373(2) 0.40044(3) 0.28730(4) 0.01556(17) Uani 1 1 d . . . . .
Si4 Si 0.32092(2) 0.35811(3) 0.27839(4) 0.01689(18) Uani 1 1 d . . . . .
C1 C 0.26547(9) 0.28893(12) 0.40931(14) 0.0223(7) Uani 1 1 d . . . . .
H1A H 0.2793 0.2571 0.4016 0.033 Uiso 1 1 calc R U . . .
H1B H 0.2381 0.2813 0.4167 0.033 Uiso 1 1 calc R U . . .
H1C H 0.2795 0.3062 0.4486 0.033 Uiso 1 1 calc R U . . .
C2 C 0.26108(9) 0.47569(12) 0.39069(14) 0.0244(7) Uani 1 1 d . . . . .
H2A H 0.2581 0.5090 0.3686 0.037 Uiso 1 1 calc R U . . .
H2B H 0.2893 0.4696 0.4072 0.037 Uiso 1 1 calc R U . . .
H2C H 0.2456 0.4752 0.4281 0.037 Uiso 1 1 calc R U . . .
C3 C 0.18301(8) 0.28242(11) 0.19457(13) 0.0174(6) Uani 1 1 d . . . . .
C4 C 0.16513(9) 0.24871(12) 0.23643(14) 0.0209(7) Uani 1 1 d . . . . .
C5 C 0.13813(9) 0.21203(12) 0.20862(15) 0.0241(7) Uani 1 1 d . . . . .
H5 H 0.1271 0.1893 0.2376 0.029 Uiso 1 1 calc R U . . .
C6 C 0.12669(9) 0.20719(12) 0.14081(15) 0.0261(7) Uani 1 1 d . . . . .
C7 C 0.14516(9) 0.23901(12) 0.10012(15) 0.0248(7) Uani 1 1 d . . . . .
H7 H 0.1384 0.2359 0.0533 0.030 Uiso 1 1 calc R U . . .
C8 C 0.17336(9) 0.27550(11) 0.12480(14) 0.0213(7) Uani 1 1 d . . . . .
C9 C 0.17680(9) 0.24611(12) 0.31157(14) 0.0204(7) Uani 1 1 d . . . . .
H9 H 0.1901 0.2789 0.3265 0.024 Uiso 1 1 calc R U . . .
C10 C 0.14220(9) 0.23758(13) 0.35196(15) 0.0277(8) Uani 1 1 d . . . . .
H10A H 0.1215 0.2632 0.3395 0.042 Uiso 1 1 calc R U . . .
H10B H 0.1520 0.2406 0.3995 0.042 Uiso 1 1 calc R U . . .
H10C H 0.1310 0.2035 0.3426 0.042 Uiso 1 1 calc R U . . .
C11 C 0.20744(10) 0.20319(13) 0.32590(16) 0.0302(8) Uani 1 1 d . . . . .
H11A H 0.1951 0.1707 0.3108 0.045 Uiso 1 1 calc R U . . .
H11B H 0.2165 0.2015 0.3738 0.045 Uiso 1 1 calc R U . . .
H11C H 0.2303 0.2099 0.3022 0.045 Uiso 1 1 calc R U . . .
C12 C 0.09451(10) 0.16967(13) 0.11370(16) 0.0332(8) Uani 1 1 d . . . . .
H12 H 0.0922 0.1435 0.1488 0.040 Uiso 1 1 calc R U . . .
C13 C 0.10344(11) 0.14239(14) 0.05178(17) 0.0397(9) Uani 1 1 d . . . . .
H13A H 0.1021 0.1667 0.0149 0.059 Uiso 1 1 calc R U . . .
H13B H 0.0838 0.1153 0.0404 0.059 Uiso 1 1 calc R U . . .
H13C H 0.1302 0.1275 0.0600 0.059 Uiso 1 1 calc R U . . .
C14 C 0.05453(12) 0.19741(18) 0.0991(3) 0.0690(15) Uani 1 1 d . . . . .
H14A H 0.0562 0.2236 0.0652 0.103 Uiso 1 1 calc R U . . .
H14B H 0.0482 0.2135 0.1399 0.103 Uiso 1 1 calc R U . . .
H14C H 0.0336 0.1729 0.0829 0.103 Uiso 1 1 calc R U . . .
C15 C 0.19640(9) 0.30273(12) 0.07619(13) 0.0221(7) Uani 1 1 d . . . . .
H15 H 0.2015 0.3386 0.0918 0.027 Uiso 1 1 calc R U . . .
C16 C 0.17549(10) 0.30407(13) 0.00404(14) 0.0302(8) Uani 1 1 d . . . . .
H16A H 0.1753 0.2697 -0.0151 0.045 Uiso 1 1 calc R U . . .
H16B H 0.1898 0.3273 -0.0222 0.045 Uiso 1 1 calc R U . . .
H16C H 0.1480 0.3160 0.0033 0.045 Uiso 1 1 calc R U . . .
C17 C 0.23640(10) 0.27533(12) 0.07850(15) 0.0282(8) Uani 1 1 d . . . . .
H17A H 0.2522 0.2806 0.1222 0.042 Uiso 1 1 calc R U . . .
H17B H 0.2509 0.2891 0.0438 0.042 Uiso 1 1 calc R U . . .
H17C H 0.2318 0.2388 0.0710 0.042 Uiso 1 1 calc R U . . .
C18 C 0.27064(8) 0.45522(11) 0.15418(13) 0.0175(6) Uani 1 1 d . . . . .
C19 C 0.28853(9) 0.43984(11) 0.09790(14) 0.0197(7) Uani 1 1 d . . . . .
C20 C 0.30883(9) 0.47584(12) 0.06478(14) 0.0209(7) Uani 1 1 d . . . . .
H20 H 0.3223 0.4648 0.0293 0.025 Uiso 1 1 calc R U . . .
C21 C 0.31009(9) 0.52670(12) 0.08147(14) 0.0213(7) Uani 1 1 d . . . . .
C22 C 0.28731(9) 0.54235(12) 0.12933(14) 0.0226(7) Uani 1 1 d . . . . .
H22 H 0.2850 0.5778 0.1376 0.027 Uiso 1 1 calc R U . . .
C23 C 0.26764(9) 0.50815(11) 0.16574(13) 0.0187(6) Uani 1 1 d . . . . .
C24 C 0.28186(9) 0.38783(12) 0.06641(14) 0.0231(7) Uani 1 1 d . . . . .
H24 H 0.2648 0.3677 0.0934 0.028 Uiso 1 1 calc R U . . .
C25 C 0.31955(10) 0.35688(13) 0.06099(16) 0.0310(8) Uani 1 1 d . . . . .
H25A H 0.3381 0.3775 0.0392 0.046 Uiso 1 1 calc R U . . .
H25B H 0.3125 0.3260 0.0347 0.046 Uiso 1 1 calc R U . . .
H25C H 0.3322 0.3473 0.1056 0.046 Uiso 1 1 calc R U . . .
C26 C 0.25876(10) 0.39454(13) -0.00382(15) 0.0317(8) Uani 1 1 d . . . . .
H26A H 0.2343 0.4139 -0.0011 0.048 Uiso 1 1 calc R U . . .
H26B H 0.2519 0.3610 -0.0233 0.048 Uiso 1 1 calc R U . . .
H26C H 0.2754 0.4130 -0.0318 0.048 Uiso 1 1 calc R U . . .
C27 C 0.33555(9) 0.56362(12) 0.04783(15) 0.0245(7) Uani 1 1 d . . . . .
H27 H 0.3459 0.5448 0.0109 0.029 Uiso 1 1 calc R U . . .
C28 C 0.37126(10) 0.58106(15) 0.09623(18) 0.0414(9) Uani 1 1 d . . . . .
H28A H 0.3620 0.5979 0.1344 0.062 Uiso 1 1 calc R U . . .
H28B H 0.3872 0.6051 0.0739 0.062 Uiso 1 1 calc R U . . .
H28C H 0.3876 0.5515 0.1117 0.062 Uiso 1 1 calc R U . . .
C29 C 0.31218(10) 0.60946(12) 0.01744(16) 0.0303(8) Uani 1 1 d . . . . .
H29A H 0.2873 0.5978 -0.0088 0.045 Uiso 1 1 calc R U . . .
H29B H 0.3282 0.6280 -0.0114 0.045 Uiso 1 1 calc R U . . .
H29C H 0.3059 0.6321 0.0530 0.045 Uiso 1 1 calc R U . . .
C30 C 0.24048(9) 0.53124(12) 0.21263(14) 0.0225(7) Uani 1 1 d . . . . .
H30 H 0.2322 0.5033 0.2413 0.027 Uiso 1 1 calc R U . . .
C31 C 0.26056(10) 0.57240(13) 0.25771(15) 0.0329(8) Uani 1 1 d . . . . .
H31A H 0.2651 0.6025 0.2311 0.049 Uiso 1 1 calc R U . . .
H31B H 0.2861 0.5597 0.2802 0.049 Uiso 1 1 calc R U . . .
H31C H 0.2434 0.5817 0.2910 0.049 Uiso 1 1 calc R U . . .
C32 C 0.20315(9) 0.55351(13) 0.17283(15) 0.0293(8) Uani 1 1 d . . . . .
H32A H 0.1854 0.5664 0.2034 0.044 Uiso 1 1 calc R U . . .
H32B H 0.1894 0.5270 0.1444 0.044 Uiso 1 1 calc R U . . .
H32C H 0.2106 0.5815 0.1451 0.044 Uiso 1 1 calc R U . . .
C33 C 0.14431(8) 0.45462(11) 0.23774(13) 0.0181(6) Uani 1 1 d . . . . .
C34 C 0.13098(9) 0.45396(12) 0.16824(14) 0.0203(7) Uani 1 1 d . . . . .
C35 C 0.10625(9) 0.49303(12) 0.13972(15) 0.0253(7) Uani 1 1 d . . . . .
H35 H 0.0982 0.4925 0.0930 0.030 Uiso 1 1 calc R U . . .
C36 C 0.09294(9) 0.53225(13) 0.17610(15) 0.0265(7) Uani 1 1 d . . . . .
C37 C 0.10655(9) 0.53343(12) 0.24346(15) 0.0247(7) Uani 1 1 d . . . . .
H37 H 0.0985 0.5607 0.2694 0.030 Uiso 1 1 calc R U . . .
C38 C 0.13176(9) 0.49588(11) 0.27458(14) 0.0199(7) Uani 1 1 d . . . . .
C39 C 0.14065(9) 0.41289(12) 0.12046(14) 0.0222(7) Uani 1 1 d . . . . .
H39 H 0.1552 0.3849 0.1471 0.027 Uiso 1 1 calc R U . . .
C40 C 0.16802(10) 0.43393(12) 0.07264(14) 0.0266(7) Uani 1 1 d . . . . .
H40A H 0.1561 0.4647 0.0509 0.040 Uiso 1 1 calc R U . . .
H40B H 0.1714 0.4082 0.0389 0.040 Uiso 1 1 calc R U . . .
H40C H 0.1941 0.4424 0.0976 0.040 Uiso 1 1 calc R U . . .
C41 C 0.10324(10) 0.38987(13) 0.07967(15) 0.0308(8) Uani 1 1 d . . . . .
H41A H 0.0841 0.3804 0.1096 0.046 Uiso 1 1 calc R U . . .
H41B H 0.1107 0.3595 0.0561 0.046 Uiso 1 1 calc R U . . .
H41C H 0.0911 0.4151 0.0474 0.046 Uiso 1 1 calc R U . . .
C42 C 0.06260(10) 0.57015(13) 0.14297(17) 0.0352(9) Uani 1 1 d D . . . .
H42A H 0.0584 0.5626 0.0942 0.042 Uiso 0.535(14) 1 calc R U P A 1
H42B H 0.0696 0.5767 0.0974 0.042 Uiso 0.465(14) 1 calc R U P A 2
C43A C 0.0226(2) 0.5637(5) 0.1687(7) 0.059(3) Uani 0.535(14) 1 d D U P A 1
H43A H 0.0135 0.5284 0.1622 0.089 Uiso 0.535(14) 1 calc R U P A 1
H43B H 0.0256 0.5721 0.2162 0.089 Uiso 0.535(14) 1 calc R U P A 1
H43C H 0.0028 0.5866 0.1443 0.089 Uiso 0.535(14) 1 calc R U P A 1
C44A C 0.0778(3) 0.6241(3) 0.1519(6) 0.047(3) Uani 0.535(14) 1 d D U P A 1
H44A H 0.0577 0.6477 0.1301 0.071 Uiso 0.535(14) 1 calc R U P A 1
H44B H 0.0832 0.6321 0.1995 0.071 Uiso 0.535(14) 1 calc R U P A 1
H44C H 0.1025 0.6276 0.1320 0.071 Uiso 0.535(14) 1 calc R U P A 1
C43B C 0.0210(2) 0.5469(5) 0.1339(8) 0.051(3) Uani 0.465(14) 1 d D U P A 2
H43D H 0.0216 0.5139 0.1116 0.076 Uiso 0.465(14) 1 calc R U P A 2
H43E H 0.0122 0.5422 0.1775 0.076 Uiso 0.465(14) 1 calc R U P A 2
H43F H 0.0025 0.5698 0.1067 0.076 Uiso 0.465(14) 1 calc R U P A 2
C44B C 0.0625(4) 0.6214(3) 0.1774(7) 0.056(3) Uani 0.465(14) 1 d D U P A 2
H44D H 0.0421 0.6433 0.1528 0.084 Uiso 0.465(14) 1 calc R U P A 2
H44E H 0.0565 0.6165 0.2229 0.084 Uiso 0.465(14) 1 calc R U P A 2
H44F H 0.0887 0.6374 0.1788 0.084 Uiso 0.465(14) 1 calc R U P A 2
C45 C 0.14343(9) 0.50185(12) 0.34946(14) 0.0224(7) Uani 1 1 d . . . . .
H45 H 0.1619 0.4732 0.3649 0.027 Uiso 1 1 calc R U . . .
C46 C 0.10712(10) 0.49743(13) 0.38643(15) 0.0294(8) Uani 1 1 d . . . . .
H46A H 0.1157 0.4998 0.4344 0.044 Uiso 1 1 calc R U . . .
H46B H 0.0940 0.4645 0.3761 0.044 Uiso 1 1 calc R U . . .
H46C H 0.0884 0.5251 0.3724 0.044 Uiso 1 1 calc R U . . .
C47 C 0.16588(10) 0.55154(13) 0.36675(16) 0.0314(8) Uani 1 1 d . . . . .
H47A H 0.1889 0.5535 0.3423 0.047 Uiso 1 1 calc R U . . .
H47B H 0.1751 0.5526 0.4147 0.047 Uiso 1 1 calc R U . . .
H47C H 0.1481 0.5805 0.3544 0.047 Uiso 1 1 calc R U . . .
C48 C 0.13792(8) 0.37496(11) 0.34626(13) 0.0181(6) Uani 1 1 d . . . . .
C49 C 0.14677(9) 0.37169(11) 0.41707(13) 0.0184(6) Uani 1 1 d . . . . .
C50 C 0.11667(9) 0.35891(12) 0.45453(14) 0.0235(7) Uani 1 1 d . . . . .
H50 H 0.1231 0.3577 0.5016 0.028 Uiso 1 1 calc R U . . .
C51 C 0.07819(9) 0.34792(13) 0.42695(15) 0.0276(8) Uani 1 1 d . . . . .
C52 C 0.06985(9) 0.34960(13) 0.35845(14) 0.0253(7) Uani 1 1 d . . . . .
H52 H 0.0436 0.3416 0.3380 0.030 Uiso 1 1 calc R U . . .
C53 C 0.09852(9) 0.36260(12) 0.31824(14) 0.0206(7) Uani 1 1 d . . . . .
C54 C 0.18743(9) 0.38145(12) 0.45752(13) 0.0209(7) Uani 1 1 d . . . . .
H54 H 0.2077 0.3831 0.4261 0.025 Uiso 1 1 calc R U . . .
C55 C 0.18844(9) 0.43190(12) 0.49531(14) 0.0269(7) Uani 1 1 d . . . . .
H55A H 0.1830 0.4600 0.4636 0.040 Uiso 1 1 calc R U . . .
H55B H 0.2148 0.4366 0.5212 0.040 Uiso 1 1 calc R U . . .
H55C H 0.1681 0.4315 0.5254 0.040 Uiso 1 1 calc R U . . .
C56 C 0.19956(9) 0.33865(12) 0.50770(14) 0.0261(7) Uani 1 1 d . . . . .
H56A H 0.1838 0.3413 0.5447 0.039 Uiso 1 1 calc R U . . .
H56B H 0.2280 0.3418 0.5248 0.039 Uiso 1 1 calc R U . . .
H56C H 0.1946 0.3055 0.4857 0.039 Uiso 1 1 calc R U . . .
C57A C 0.0446(10) 0.3475(12) 0.470(2) 0.037(3) Uani 0.21(3) 1 d D U P B 1
H57A H 0.0575 0.3448 0.5174 0.044 Uiso 0.21(3) 1 calc R U P B 1
C58A C 0.0188(8) 0.3956(15) 0.4657(14) 0.037(3) Uani 0.21(3) 1 d D U P B 1
H58A H 0.0358 0.4255 0.4764 0.055 Uiso 0.21(3) 1 calc R U P B 1
H58B H 0.0045 0.3989 0.4205 0.055 Uiso 0.21(3) 1 calc R U P B 1
H58C H -0.0006 0.3931 0.4974 0.055 Uiso 0.21(3) 1 calc R U P B 1
C59A C 0.0210(10) 0.2984(13) 0.4545(16) 0.039(3) Uani 0.21(3) 1 d D U P B 1
H59A H 0.0394 0.2693 0.4583 0.059 Uiso 0.21(3) 1 calc R U P B 1
H59B H 0.0017 0.2943 0.4859 0.059 Uiso 0.21(3) 1 calc R U P B 1
H59C H 0.0068 0.3001 0.4090 0.059 Uiso 0.21(3) 1 calc R U P B 1
C57B C 0.0466(2) 0.3315(4) 0.4693(5) 0.0340(17) Uani 0.79(3) 1 d D U P B 2
H57B H 0.0600 0.3277 0.5161 0.041 Uiso 0.79(3) 1 calc R U P B 2
C58B C 0.0150(2) 0.3732(5) 0.4685(3) 0.042(2) Uani 0.79(3) 1 d D U P B 2
H58D H -0.0052 0.3625 0.4958 0.063 Uiso 0.79(3) 1 calc R U P B 2
H58E H 0.0276 0.4048 0.4866 0.063 Uiso 0.79(3) 1 calc R U P B 2
H58F H 0.0024 0.3790 0.4227 0.063 Uiso 0.79(3) 1 calc R U P B 2
C59B C 0.0274(2) 0.2805(5) 0.4477(5) 0.045(2) Uani 0.79(3) 1 d D U P B 2
H59D H 0.0074 0.2719 0.4766 0.068 Uiso 0.79(3) 1 calc R U P B 2
H59E H 0.0145 0.2829 0.4016 0.068 Uiso 0.79(3) 1 calc R U P B 2
H59F H 0.0479 0.2539 0.4513 0.068 Uiso 0.79(3) 1 calc R U P B 2
C60 C 0.08367(9) 0.36304(12) 0.24384(14) 0.0226(7) Uani 1 1 d . . . . .
H60 H 0.1070 0.3698 0.2199 0.027 Uiso 1 1 calc R U . . .
C61 C 0.05369(9) 0.40631(13) 0.22747(15) 0.0294(8) Uani 1 1 d . . . . .
H61A H 0.0439 0.4060 0.1797 0.044 Uiso 1 1 calc R U . . .
H61B H 0.0667 0.4390 0.2396 0.044 Uiso 1 1 calc R U . . .
H61C H 0.0312 0.4016 0.2526 0.044 Uiso 1 1 calc R U . . .
C62 C 0.06514(10) 0.31230(13) 0.21865(16) 0.0333(8) Uani 1 1 d . . . . .
H62A H 0.0843 0.2847 0.2306 0.050 Uiso 1 1 calc R U . . .
H62B H 0.0583 0.3137 0.1702 0.050 Uiso 1 1 calc R U . . .
H62C H 0.0410 0.3060 0.2390 0.050 Uiso 1 1 calc R U . . .
C63 C 0.35202(9) 0.31253(12) 0.22999(14) 0.0210(7) Uani 1 1 d . . . . .
C64 C 0.34395(9) 0.25972(12) 0.21930(15) 0.0256(7) Uani 1 1 d . . . . .
C65 C 0.37042(10) 0.22922(13) 0.18963(17) 0.0362(9) Uani 1 1 d . . . . .
H65 H 0.3648 0.1939 0.1839 0.043 Uiso 1 1 calc R U . . .
C66 C 0.40442(11) 0.24858(14) 0.16835(18) 0.0409(9) Uani 1 1 d . . . . .
C67 C 0.41170(10) 0.29957(14) 0.17637(17) 0.0351(9) Uani 1 1 d . . . . .
H67 H 0.4346 0.3136 0.1608 0.042 Uiso 1 1 calc R U . . .
C68 C 0.38682(9) 0.33183(12) 0.20643(15) 0.0253(7) Uani 1 1 d . . . . .
C69 C 0.30807(9) 0.23111(12) 0.23875(15) 0.0249(7) Uani 1 1 d . . . . .
H69 H 0.2875 0.2567 0.2474 0.030 Uiso 1 1 calc R U . . .
C70 C 0.31886(10) 0.19899(13) 0.30195(16) 0.0299(8) Uani 1 1 d . . . . .
H70A H 0.2955 0.1793 0.3106 0.045 Uiso 1 1 calc R U . . .
H70B H 0.3273 0.2215 0.3398 0.045 Uiso 1 1 calc R U . . .
H70C H 0.3406 0.1756 0.2958 0.045 Uiso 1 1 calc R U . . .
C71 C 0.28919(11) 0.19477(13) 0.18406(16) 0.0334(8) Uani 1 1 d . . . . .
H71A H 0.2903 0.2102 0.1404 0.050 Uiso 1 1 calc R U . . .
H71B H 0.2613 0.1884 0.1897 0.050 Uiso 1 1 calc R U . . .
H71C H 0.3039 0.1625 0.1872 0.050 Uiso 1 1 calc R U . . .
C72 C 0.43327(14) 0.21331(17) 0.1368(3) 0.0693(15) Uani 1 1 d D . . . .
H72A H 0.4218 0.1781 0.1334 0.083 Uiso 0.575(6) 1 calc R U P C 1
H72B H 0.4455 0.2013 0.1818 0.083 Uiso 0.425(6) 1 calc R U P C 2
C73A C 0.4399(2) 0.2297(3) 0.0718(3) 0.056(2) Uiso 0.575(6) 1 d D U P C 1
H73A H 0.4583 0.2061 0.0542 0.083 Uiso 0.575(6) 1 calc R U P C 1
H73B H 0.4145 0.2302 0.0421 0.083 Uiso 0.575(6) 1 calc R U P C 1
H73C H 0.4514 0.2640 0.0746 0.083 Uiso 0.575(6) 1 calc R U P C 1
C74A C 0.4730(3) 0.2123(4) 0.1850(5) 0.088(3) Uiso 0.575(6) 1 d D U P C 1
H74A H 0.4679 0.2010 0.2291 0.133 Uiso 0.575(6) 1 calc R U P C 1
H74B H 0.4916 0.1886 0.1680 0.133 Uiso 0.575(6) 1 calc R U P C 1
H74C H 0.4847 0.2465 0.1883 0.133 Uiso 0.575(6) 1 calc R U P C 1
C73C C 0.4362(7) 0.1617(6) 0.1589(11) 0.045(5) Uiso 0.170(2) 1 d D U P C 3
H73D H 0.4553 0.1434 0.1354 0.068 Uiso 0.170(2) 1 calc R U P C 3
H73E H 0.4454 0.1608 0.2069 0.068 Uiso 0.170(2) 1 calc R U P C 3
H73F H 0.4100 0.1453 0.1497 0.068 Uiso 0.170(2) 1 calc R U P C 3
C73B C 0.4211(4) 0.1621(4) 0.1181(7) 0.037(3) Uiso 0.255(4) 1 d D U P C 2
H73D H 0.3948 0.1554 0.1309 0.055 Uiso 0.255(4) 1 calc R U P C 2
H73E H 0.4199 0.1581 0.0698 0.055 Uiso 0.255(4) 1 calc R U P C 2
H73F H 0.4405 0.1379 0.1407 0.055 Uiso 0.255(4) 1 calc R U P C 2
C74B C 0.4712(4) 0.2373(6) 0.1257(8) 0.108(4) Uiso 0.425(6) 1 d D U P C 2
H74D H 0.4722 0.2723 0.1429 0.162 Uiso 0.425(6) 1 calc R U P C 2
H74E H 0.4935 0.2177 0.1488 0.162 Uiso 0.425(6) 1 calc R U P C 2
H74F H 0.4730 0.2380 0.0779 0.162 Uiso 0.425(6) 1 calc R U P C 2
C75 C 0.40063(9) 0.38706(12) 0.21344(15) 0.0274(8) Uani 1 1 d . . . . .
H75 H 0.3804 0.4063 0.2350 0.033 Uiso 1 1 calc R U . . .
C76 C 0.40435(11) 0.41347(14) 0.14683(16) 0.0365(9) Uani 1 1 d . . . . .
H76A H 0.4203 0.3922 0.1209 0.055 Uiso 1 1 calc R U . . .
H76B H 0.4174 0.4467 0.1554 0.055 Uiso 1 1 calc R U . . .
H76C H 0.3777 0.4184 0.1218 0.055 Uiso 1 1 calc R U . . .
C77 C 0.44045(10) 0.39109(15) 0.25900(18) 0.0393(9) Uani 1 1 d . . . . .
H77A H 0.4384 0.3739 0.3012 0.059 Uiso 1 1 calc R U . . .
H77B H 0.4471 0.4271 0.2674 0.059 Uiso 1 1 calc R U . . .
H77C H 0.4614 0.3749 0.2375 0.059 Uiso 1 1 calc R U . . .
C78 C 0.36123(8) 0.38846(12) 0.34597(14) 0.0196(7) Uani 1 1 d . . . . .
C79 C 0.38520(9) 0.35339(12) 0.38752(14) 0.0228(7) Uani 1 1 d . . . . .
C80 C 0.41878(9) 0.37010(13) 0.42989(15) 0.0270(7) Uani 1 1 d . . . . .
H80 H 0.4337 0.3460 0.4581 0.032 Uiso 1 1 calc R U . . .
C81 C 0.43106(9) 0.42002(13) 0.43234(15) 0.0275(7) Uani 1 1 d . . . . .
C82 C 0.40701(9) 0.45430(13) 0.39407(14) 0.0245(7) Uani 1 1 d . . . . .
H82 H 0.4146 0.4892 0.3960 0.029 Uiso 1 1 calc R U . . .
C83 C 0.37224(9) 0.44069(12) 0.35274(14) 0.0209(7) Uani 1 1 d . . . . .
C84 C 0.37784(9) 0.29628(12) 0.38825(15) 0.0248(7) Uani 1 1 d . . . . .
H84 H 0.3529 0.2891 0.3572 0.030 Uiso 1 1 calc R U . . .
C85 C 0.37176(10) 0.27673(13) 0.45730(16) 0.0310(8) Uani 1 1 d . . . . .
H85A H 0.3959 0.2831 0.4888 0.047 Uiso 1 1 calc R U . . .
H85B H 0.3663 0.2400 0.4550 0.047 Uiso 1 1 calc R U . . .
H85C H 0.3491 0.2945 0.4723 0.047 Uiso 1 1 calc R U . . .
C86 C 0.41173(10) 0.26640(13) 0.36360(17) 0.0330(8) Uani 1 1 d . . . . .
H86A H 0.4161 0.2793 0.3198 0.049 Uiso 1 1 calc R U . . .
H86B H 0.4046 0.2302 0.3601 0.049 Uiso 1 1 calc R U . . .
H86C H 0.4362 0.2706 0.3951 0.049 Uiso 1 1 calc R U . . .
C87 C 0.47029(10) 0.43749(14) 0.47107(17) 0.0345(8) Uani 1 1 d . . . . .
H87 H 0.4700 0.4756 0.4708 0.041 Uiso 1 1 calc R U . . .
C88 C 0.47601(12) 0.42103(19) 0.5427(2) 0.0619(13) Uani 1 1 d . . . . .
H88A H 0.4551 0.4362 0.5655 0.093 Uiso 1 1 calc R U . . .
H88B H 0.5022 0.4324 0.5643 0.093 Uiso 1 1 calc R U . . .
H88C H 0.4744 0.3838 0.5451 0.093 Uiso 1 1 calc R U . . .
C89 C 0.50495(11) 0.4211(2) 0.4365(2) 0.0706(15) Uani 1 1 d . . . . .
H89A H 0.5059 0.3838 0.4347 0.106 Uiso 1 1 calc R U . . .
H89B H 0.5299 0.4340 0.4611 0.106 Uiso 1 1 calc R U . . .
H89C H 0.5015 0.4348 0.3911 0.106 Uiso 1 1 calc R U . . .
C90 C 0.34881(9) 0.48572(12) 0.31904(14) 0.0222(7) Uani 1 1 d . . . . .
H90 H 0.3205 0.4749 0.3064 0.027 Uiso 1 1 calc R U . . .
C91 C 0.36496(10) 0.50400(13) 0.25617(16) 0.0334(8) Uani 1 1 d . . . . .
H91A H 0.3941 0.5064 0.2650 0.050 Uiso 1 1 calc R U . . .
H91B H 0.3538 0.5376 0.2433 0.050 Uiso 1 1 calc R U . . .
H91C H 0.3573 0.4797 0.2200 0.050 Uiso 1 1 calc R U . . .
C92 C 0.34953(10) 0.53093(13) 0.36702(17) 0.0328(8) Uani 1 1 d . . . . .
H92A H 0.3460 0.5185 0.4114 0.049 Uiso 1 1 calc R U . . .
H92B H 0.3279 0.5545 0.3511 0.049 Uiso 1 1 calc R U . . .
H92C H 0.3752 0.5487 0.3693 0.049 Uiso 1 1 calc R U . . .
C94 C 0.5000 0.4111(4) 0.7500 0.104(3) Uiso 1 2 d S . P . .
C97 C 0.4811(9) 0.4600(13) 0.7205(14) 0.260(14) Uiso 0.5 1 d . . P D .
C96 C 0.4650(4) 0.3498(6) 0.7127(6) 0.087(4) Uiso 0.5 1 d . . P . .
C98 C 0.5000 0.3085(6) 0.7500 0.100(5) Uiso 0.6 2 d S . P D .
C99 C 0.5000 0.4711(12) 0.7500 0.169(11) Uiso 0.6 2 d S . P D .
C95 C 0.4750(3) 0.3222(5) 0.7239(5) 0.092(3) Uiso 0.6 1 d . . P D 2
C93 C 0.46647(19) 0.3890(3) 0.7207(3) 0.0698(17) Uiso 0.8 1 d . . P D 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 C1 1.960(3) . ?
Ge1 Si4 2.4072(8) . ?
Ge1 Si1 2.4344(8) . ?
Ge1 Ge2 2.4534(4) . ?
Ge2 C2 1.959(3) . ?
Ge2 Si3 2.3956(8) . ?
Ge2 Si2 2.4398(8) . ?
Si1 C3 1.931(3) . ?
Si1 Si3 2.3993(11) . ?
Si1 Si2 2.4809(11) . ?
Si2 C18 1.921(3) . ?
Si2 Si4 2.4464(11) . ?
Si3 C33 1.935(3) . ?
Si3 C48 1.936(3) . ?
Si4 C63 1.946(3) . ?
Si4 C78 1.965(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.418(4) . ?
C3 C8 1.420(4) . ?
C4 C5 1.392(4) . ?
C4 C9 1.523(4) . ?
C5 C6 1.383(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.383(4) . ?
C6 C12 1.514(4) . ?
C7 C8 1.395(4) . ?
C7 H7 0.9500 . ?
C8 C15 1.518(4) . ?
C9 C11 1.531(4) . ?
C9 C10 1.535(4) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.512(4) . ?
C12 C14 1.529(5) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C17 1.528(4) . ?
C15 C16 1.536(4) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C23 1.414(4) . ?
C18 C19 1.423(4) . ?
C19 C20 1.394(4) . ?
C19 C24 1.510(4) . ?
C20 C21 1.375(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.383(4) . ?
C21 C27 1.519(4) . ?
C22 C23 1.389(4) . ?
C22 H22 0.9500 . ?
C23 C30 1.535(4) . ?
C24 C25 1.529(4) . ?
C24 C26 1.538(4) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.519(5) . ?
C27 C29 1.522(4) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.514(4) . ?
C30 C32 1.520(4) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C38 1.413(4) . ?
C33 C34 1.420(4) . ?
C34 C35 1.397(4) . ?
C34 C39 1.515(4) . ?
C35 C36 1.378(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.381(4) . ?
C36 C42 1.518(4) . ?
C37 C38 1.396(4) . ?
C37 H37 0.9500 . ?
C38 C45 1.524(4) . ?
C39 C40 1.533(4) . ?
C39 C41 1.538(4) . ?
C39 H39 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C44A 1.509(6) . ?
C42 C44B 1.515(7) . ?
C42 C43B 1.521(7) . ?
C42 C43A 1.528(7) . ?
C42 H42A 1.0000 . ?
C42 H42B 1.0000 . ?
C43A H43A 0.9800 . ?
C43A H43B 0.9800 . ?
C43A H43C 0.9800 . ?
C44A H44A 0.9800 . ?
C44A H44B 0.9800 . ?
C44A H44C 0.9800 . ?
C43B H43D 0.9800 . ?
C43B H43E 0.9800 . ?
C43B H43F 0.9800 . ?
C44B H44D 0.9800 . ?
C44B H44E 0.9800 . ?
C44B H44F 0.9800 . ?
C45 C47 1.525(4) . ?
C45 C46 1.530(4) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C53 1.414(4) . ?
C48 C49 1.429(4) . ?
C49 C50 1.394(4) . ?
C49 C54 1.524(4) . ?
C50 C51 1.376(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.381(4) . ?
C51 C57B 1.522(9) . ?
C51 C57A 1.53(4) . ?
C52 C53 1.394(4) . ?
C52 H52 0.9500 . ?
C53 C60 1.524(4) . ?
C54 C55 1.528(4) . ?
C54 C56 1.533(4) . ?
C54 H54 1.0000 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57A C59A 1.525(9) . ?
C57A C58A 1.529(9) . ?
C57A H57A 1.0000 . ?
C58A H58A 0.9800 . ?
C58A H58B 0.9800 . ?
C58A H58C 0.9800 . ?
C59A H59A 0.9800 . ?
C59A H59B 0.9800 . ?
C59A H59C 0.9800 . ?
C57B C59B 1.526(5) . ?
C57B C58B 1.527(5) . ?
C57B H57B 1.0000 . ?
C58B H58D 0.9800 . ?
C58B H58E 0.9800 . ?
C58B H58F 0.9800 . ?
C59B H59D 0.9800 . ?
C59B H59E 0.9800 . ?
C59B H59F 0.9800 . ?
C60 C61 1.528(4) . ?
C60 C62 1.529(4) . ?
C60 H60 1.0000 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.423(4) . ?
C63 C68 1.424(4) . ?
C64 C65 1.398(4) . ?
C64 C69 1.525(4) . ?
C65 C66 1.380(5) . ?
C65 H65 0.9500 . ?
C66 C67 1.365(5) . ?
C66 C72 1.547(5) . ?
C67 C68 1.392(4) . ?
C67 H67 0.9500 . ?
C68 C75 1.523(4) . ?
C69 C71 1.534(4) . ?
C69 C70 1.536(4) . ?
C69 H69 1.0000 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 C73C 1.425(13) . ?
C72 C73A 1.434(7) . ?
C72 C73B 1.441(11) . ?
C72 C74B 1.475(11) . ?
C72 C74A 1.551(9) . ?
C72 H72A 1.0000 . ?
C72 H72B 1.0000 . ?
C73A H73A 0.9800 . ?
C73A H73B 0.9800 . ?
C73A H73C 0.9800 . ?
C74A H74A 0.9800 . ?
C74A H74B 0.9800 . ?
C74A H74C 0.9800 . ?
C73C H73D 0.9800 . ?
C73C H73E 0.9800 . ?
C73C H73F 0.9800 . ?
C73B H73D 0.9800 . ?
C73B H73E 0.9800 . ?
C73B H73F 0.9800 . ?
C74B H74D 0.9800 . ?
C74B H74E 0.9800 . ?
C74B H74F 0.9800 . ?
C75 C77 1.530(5) . ?
C75 C76 1.539(4) . ?
C75 H75 1.0000 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 C83 1.421(4) . ?
C78 C79 1.424(4) . ?
C79 C80 1.398(4) . ?
C79 C84 1.519(4) . ?
C80 C81 1.373(4) . ?
C80 H80 0.9500 . ?
C81 C82 1.378(4) . ?
C81 C87 1.518(4) . ?
C82 C83 1.394(4) . ?
C82 H82 0.9500 . ?
C83 C90 1.531(4) . ?
C84 C86 1.529(4) . ?
C84 C85 1.532(4) . ?
C84 H84 1.0000 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 C88 1.504(5) . ?
C87 C89 1.511(5) . ?
C87 H87 1.0000 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 C91 1.532(4) . ?
C90 C92 1.532(4) . ?
C90 H90 1.0000 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C94 C93 1.338(7) . ?
C94 C93 1.339(7) 2_656 ?
C94 C97 1.52(3) . ?
C94 C97 1.52(3) 2_656 ?
C94 C99 1.57(3) . ?
C97 C99 0.87(3) . ?
C97 C97 1.63(6) 2_656 ?
C97 C93 1.93(3) . ?
C96 C95 0.817(15) . ?
C96 C93 1.041(14) . ?
C96 C98 1.705(18) . ?
C98 C95 1.002(12) 2_656 ?
C98 C95 1.003(12) . ?
C98 C96 1.705(18) 2_656 ?
C99 C97 0.87(3) 2_656 ?
C95 C93 1.775(13) . ?
C95 C95 1.87(2) 2_656 ?

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
C1 Ge1 Si4 126.46(9) . . ?
C1 Ge1 Si1 127.79(9) . . ?
Si4 Ge1 Si1 98.88(3) . . ?
C1 Ge1 Ge2 124.33(9) . . ?
Si4 Ge1 Ge2 89.68(2) . . ?
Si1 Ge1 Ge2 73.62(2) . . ?
C2 Ge2 Si3 127.83(9) . . ?
C2 Ge2 Si2 127.24(9) . . ?
Si3 Ge2 Si2 93.12(3) . . ?
C2 Ge2 Ge1 125.46(10) . . ?
Si3 Ge2 Ge1 94.00(2) . . ?
Si2 Ge2 Ge1 73.54(2) . . ?
C3 Si1 Si3 114.89(9) . . ?
C3 Si1 Ge1 124.63(9) . . ?
Si3 Si1 Ge1 94.39(3) . . ?
C3 Si1 Si2 143.90(9) . . ?
Si3 Si1 Si2 92.01(4) . . ?
Ge1 Si1 Si2 73.15(3) . . ?
C18 Si2 Ge2 124.67(9) . . ?
C18 Si2 Si4 121.28(9) . . ?
Ge2 Si2 Si4 89.08(3) . . ?
C18 Si2 Si1 135.83(9) . . ?
Ge2 Si2 Si1 73.04(3) . . ?
Si4 Si2 Si1 96.58(4) . . ?
C33 Si3 C48 104.68(12) . . ?
C33 Si3 Ge2 113.63(9) . . ?
C48 Si3 Ge2 121.78(9) . . ?
C33 Si3 Si1 122.46(9) . . ?
C48 Si3 Si1 117.90(10) . . ?
Ge2 Si3 Si1 75.29(3) . . ?
C63 Si4 C78 103.24(13) . . ?
C63 Si4 Ge1 125.30(10) . . ?
C78 Si4 Ge1 108.35(8) . . ?
C63 Si4 Si2 120.48(9) . . ?
C78 Si4 Si2 124.22(10) . . ?
Ge1 Si4 Si2 74.24(3) . . ?
Ge1 C1 H1A 109.5 . . ?
Ge1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Ge1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Ge2 C2 H2A 109.5 . . ?
Ge2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Ge2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 C8 117.3(3) . . ?
C4 C3 Si1 117.6(2) . . ?
C8 C3 Si1 124.5(2) . . ?
C5 C4 C3 119.9(3) . . ?
C5 C4 C9 116.1(3) . . ?
C3 C4 C9 123.7(3) . . ?
C6 C5 C4 123.0(3) . . ?
C6 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
C7 C6 C5 116.8(3) . . ?
C7 C6 C12 122.5(3) . . ?
C5 C6 C12 120.7(3) . . ?
C6 C7 C8 122.9(3) . . ?
C6 C7 H7 118.6 . . ?
C8 C7 H7 118.6 . . ?
C7 C8 C3 119.9(3) . . ?
C7 C8 C15 118.5(3) . . ?
C3 C8 C15 121.3(3) . . ?
C4 C9 C11 107.4(2) . . ?
C4 C9 C10 115.4(2) . . ?
C11 C9 C10 109.7(2) . . ?
C4 C9 H9 108.0 . . ?
C11 C9 H9 108.0 . . ?
C10 C9 H9 108.0 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C6 113.2(3) . . ?
C13 C12 C14 109.7(3) . . ?
C6 C12 C14 109.5(3) . . ?
C13 C12 H12 108.1 . . ?
C6 C12 H12 108.1 . . ?
C14 C12 H12 108.1 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C15 C17 106.9(2) . . ?
C8 C15 C16 114.8(3) . . ?
C17 C15 C16 109.3(2) . . ?
C8 C15 H15 108.6 . . ?
C17 C15 H15 108.6 . . ?
C16 C15 H15 108.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 C19 117.4(2) . . ?
C23 C18 Si2 123.1(2) . . ?
C19 C18 Si2 117.8(2) . . ?
C20 C19 C18 119.2(3) . . ?
C20 C19 C24 117.6(2) . . ?
C18 C19 C24 122.7(3) . . ?
C21 C20 C19 122.6(3) . . ?
C21 C20 H20 118.7 . . ?
C19 C20 H20 118.7 . . ?
C20 C21 C22 117.3(3) . . ?
C20 C21 C27 120.5(3) . . ?
C22 C21 C27 122.1(3) . . ?
C21 C22 C23 122.4(3) . . ?
C21 C22 H22 118.8 . . ?
C23 C22 H22 118.8 . . ?
C22 C23 C18 119.7(3) . . ?
C22 C23 C30 116.5(3) . . ?
C18 C23 C30 123.6(2) . . ?
C19 C24 C25 115.6(3) . . ?
C19 C24 C26 108.4(3) . . ?
C25 C24 C26 108.5(2) . . ?
C19 C24 H24 108.0 . . ?
C25 C24 H24 108.0 . . ?
C26 C24 H24 108.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C21 C27 C28 110.6(3) . . ?
C21 C27 C29 113.0(3) . . ?
C28 C27 C29 110.3(3) . . ?
C21 C27 H27 107.6 . . ?
C28 C27 H27 107.6 . . ?
C29 C27 H27 107.6 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C32 108.5(3) . . ?
C31 C30 C23 113.5(3) . . ?
C32 C30 C23 110.3(2) . . ?
C31 C30 H30 108.1 . . ?
C32 C30 H30 108.1 . . ?
C23 C30 H30 108.1 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C38 C33 C34 117.2(3) . . ?
C38 C33 Si3 117.3(2) . . ?
C34 C33 Si3 125.3(2) . . ?
C35 C34 C33 119.5(3) . . ?
C35 C34 C39 115.2(3) . . ?
C33 C34 C39 125.2(3) . . ?
C36 C35 C34 123.2(3) . . ?
C36 C35 H35 118.4 . . ?
C34 C35 H35 118.4 . . ?
C35 C36 C37 117.2(3) . . ?
C35 C36 C42 120.2(3) . . ?
C37 C36 C42 122.5(3) . . ?
C36 C37 C38 122.1(3) . . ?
C36 C37 H37 118.9 . . ?
C38 C37 H37 118.9 . . ?
C37 C38 C33 120.7(3) . . ?
C37 C38 C45 115.9(3) . . ?
C33 C38 C45 123.4(3) . . ?
C34 C39 C40 110.6(3) . . ?
C34 C39 C41 112.9(2) . . ?
C40 C39 C41 109.0(2) . . ?
C34 C39 H39 108.1 . . ?
C40 C39 H39 108.1 . . ?
C41 C39 H39 108.1 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C44A C42 C36 111.2(5) . . ?
C44B C42 C36 114.9(5) . . ?
C44B C42 C43B 110.5(7) . . ?
C36 C42 C43B 110.5(5) . . ?
C44A C42 C43A 111.5(6) . . ?
C36 C42 C43A 110.7(5) . . ?
C44A C42 H42A 107.7 . . ?
C36 C42 H42A 107.7 . . ?
C43A C42 H42A 107.7 . . ?
C44B C42 H42B 106.8 . . ?
C36 C42 H42B 106.8 . . ?
C43B C42 H42B 106.8 . . ?
C42 C43A H43A 109.5 . . ?
C42 C43A H43B 109.5 . . ?
H43A C43A H43B 109.5 . . ?
C42 C43A H43C 109.5 . . ?
H43A C43A H43C 109.5 . . ?
H43B C43A H43C 109.5 . . ?
C42 C44A H44A 109.5 . . ?
C42 C44A H44B 109.5 . . ?
H44A C44A H44B 109.5 . . ?
C42 C44A H44C 109.5 . . ?
H44A C44A H44C 109.5 . . ?
H44B C44A H44C 109.5 . . ?
C42 C43B H43D 109.5 . . ?
C42 C43B H43E 109.5 . . ?
H43D C43B H43E 109.5 . . ?
C42 C43B H43F 109.5 . . ?
H43D C43B H43F 109.5 . . ?
H43E C43B H43F 109.5 . . ?
C42 C44B H44D 109.5 . . ?
C42 C44B H44E 109.5 . . ?
H44D C44B H44E 109.5 . . ?
C42 C44B H44F 109.5 . . ?
H44D C44B H44F 109.5 . . ?
H44E C44B H44F 109.5 . . ?
C38 C45 C47 111.7(3) . . ?
C38 C45 C46 111.4(3) . . ?
C47 C45 C46 111.1(3) . . ?
C38 C45 H45 107.4 . . ?
C47 C45 H45 107.4 . . ?
C46 C45 H45 107.4 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C53 C48 C49 116.5(2) . . ?
C53 C48 Si3 117.8(2) . . ?
C49 C48 Si3 125.4(2) . . ?
C50 C49 C48 119.7(3) . . ?
C50 C49 C54 114.9(2) . . ?
C48 C49 C54 125.5(2) . . ?
C51 C50 C49 123.4(3) . . ?
C51 C50 H50 118.3 . . ?
C49 C50 H50 118.3 . . ?
C50 C51 C52 117.0(3) . . ?
C50 C51 C57B 121.9(4) . . ?
C52 C51 C57B 121.0(4) . . ?
C50 C51 C57A 120.4(14) . . ?
C52 C51 C57A 120.8(15) . . ?
C51 C52 C53 122.3(3) . . ?
C51 C52 H52 118.8 . . ?
C53 C52 H52 118.8 . . ?
C52 C53 C48 121.0(3) . . ?
C52 C53 C60 114.9(3) . . ?
C48 C53 C60 124.1(3) . . ?
C49 C54 C55 111.8(2) . . ?
C49 C54 C56 112.0(2) . . ?
C55 C54 C56 108.4(2) . . ?
C49 C54 H54 108.2 . . ?
C55 C54 H54 108.2 . . ?
C56 C54 H54 108.2 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C59A C57A C58A 114(2) . . ?
C59A C57A C51 107(2) . . ?
C58A C57A C51 115(2) . . ?
C59A C57A H57A 106.7 . . ?
C58A C57A H57A 106.7 . . ?
C51 C57A H57A 106.7 . . ?
C57A C58A H58A 109.5 . . ?
C57A C58A H58B 109.5 . . ?
H58A C58A H58B 109.5 . . ?
C57A C58A H58C 109.5 . . ?
H58A C58A H58C 109.5 . . ?
H58B C58A H58C 109.5 . . ?
C57A C59A H59A 109.5 . . ?
C57A C59A H59B 109.5 . . ?
H59A C59A H59B 109.5 . . ?
C57A C59A H59C 109.5 . . ?
H59A C59A H59C 109.5 . . ?
H59B C59A H59C 109.5 . . ?
C51 C57B C59B 113.1(6) . . ?
C51 C57B C58B 109.7(5) . . ?
C59B C57B C58B 110.8(4) . . ?
C51 C57B H57B 107.7 . . ?
C59B C57B H57B 107.7 . . ?
C58B C57B H57B 107.7 . . ?
C57B C58B H58D 109.5 . . ?
C57B C58B H58E 109.5 . . ?
H58D C58B H58E 109.5 . . ?
C57B C58B H58F 109.5 . . ?
H58D C58B H58F 109.5 . . ?
H58E C58B H58F 109.5 . . ?
C57B C59B H59D 109.5 . . ?
C57B C59B H59E 109.5 . . ?
H59D C59B H59E 109.5 . . ?
C57B C59B H59F 109.5 . . ?
H59D C59B H59F 109.5 . . ?
H59E C59B H59F 109.5 . . ?
C53 C60 C61 109.8(2) . . ?
C53 C60 C62 112.9(3) . . ?
C61 C60 C62 110.1(3) . . ?
C53 C60 H60 107.9 . . ?
C61 C60 H60 107.9 . . ?
C62 C60 H60 107.9 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 C68 116.4(3) . . ?
C64 C63 Si4 124.7(2) . . ?
C68 C63 Si4 118.8(2) . . ?
C65 C64 C63 120.1(3) . . ?
C65 C64 C69 114.2(3) . . ?
C63 C64 C69 125.6(3) . . ?
C66 C65 C64 122.4(3) . . ?
C66 C65 H65 118.8 . . ?
C64 C65 H65 118.8 . . ?
C67 C66 C65 117.9(3) . . ?
C67 C66 C72 121.4(3) . . ?
C65 C66 C72 120.7(3) . . ?
C66 C67 C68 122.5(3) . . ?
C66 C67 H67 118.8 . . ?
C68 C67 H67 118.8 . . ?
C67 C68 C63 120.6(3) . . ?
C67 C68 C75 115.0(3) . . ?
C63 C68 C75 124.4(3) . . ?
C64 C69 C71 112.7(3) . . ?
C64 C69 C70 112.3(3) . . ?
C71 C69 C70 106.9(3) . . ?
C64 C69 H69 108.3 . . ?
C71 C69 H69 108.3 . . ?
C70 C69 H69 108.3 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C73B C72 C74B 125.5(9) . . ?
C73C C72 C66 117.3(10) . . ?
C73A C72 C66 112.9(5) . . ?
C73B C72 C66 119.6(7) . . ?
C74B C72 C66 114.8(7) . . ?
C73A C72 C74A 110.7(5) . . ?
C66 C72 C74A 107.0(5) . . ?
C73A C72 H72A 108.7 . . ?
C66 C72 H72A 108.7 . . ?
C74A C72 H72A 108.7 . . ?
C73B C72 H72B 90.8 . . ?
C74B C72 H72B 90.8 . . ?
C66 C72 H72B 90.8 . . ?
C72 C73A H73A 109.5 . . ?
C72 C73A H73B 109.5 . . ?
H73A C73A H73B 109.5 . . ?
C72 C73A H73C 109.5 . . ?
H73A C73A H73C 109.5 . . ?
H73B C73A H73C 109.5 . . ?
C72 C74A H74A 109.5 . . ?
C72 C74A H74B 109.5 . . ?
H74A C74A H74B 109.5 . . ?
C72 C74A H74C 109.5 . . ?
H74A C74A H74C 109.5 . . ?
H74B C74A H74C 109.5 . . ?
C72 C73C H73D 109.5 . . ?
C72 C73C H73E 109.5 . . ?
H73D C73C H73E 109.5 . . ?
C72 C73C H73F 109.5 . . ?
H73D C73C H73F 109.5 . . ?
H73E C73C H73F 109.5 . . ?
C72 C73B H73D 109.5 . . ?
C72 C73B H73E 109.5 . . ?
H73D C73B H73E 109.5 . . ?
C72 C73B H73F 109.5 . . ?
H73D C73B H73F 109.5 . . ?
H73E C73B H73F 109.5 . . ?
C72 C74B H74D 109.5 . . ?
C72 C74B H74E 109.5 . . ?
H74D C74B H74E 109.5 . . ?
C72 C74B H74F 109.5 . . ?
H74D C74B H74F 109.5 . . ?
H74E C74B H74F 109.5 . . ?
C68 C75 C77 110.8(3) . . ?
C68 C75 C76 114.0(3) . . ?
C77 C75 C76 109.1(3) . . ?
C68 C75 H75 107.5 . . ?
C77 C75 H75 107.5 . . ?
C76 C75 H75 107.5 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C75 C77 H77A 109.5 . . ?
C75 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C75 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C83 C78 C79 116.4(3) . . ?
C83 C78 Si4 127.3(2) . . ?
C79 C78 Si4 115.8(2) . . ?
C80 C79 C78 120.7(3) . . ?
C80 C79 C84 115.1(3) . . ?
C78 C79 C84 124.2(3) . . ?
C81 C80 C79 122.5(3) . . ?
C81 C80 H80 118.7 . . ?
C79 C80 H80 118.7 . . ?
C80 C81 C82 116.7(3) . . ?
C80 C81 C87 123.1(3) . . ?
C82 C81 C87 120.1(3) . . ?
C81 C82 C83 123.8(3) . . ?
C81 C82 H82 118.1 . . ?
C83 C82 H82 118.1 . . ?
C82 C83 C78 119.5(3) . . ?
C82 C83 C90 114.5(3) . . ?
C78 C83 C90 126.0(3) . . ?
C79 C84 C86 111.8(3) . . ?
C79 C84 C85 112.4(3) . . ?
C86 C84 C85 109.2(3) . . ?
C79 C84 H84 107.7 . . ?
C86 C84 H84 107.7 . . ?
C85 C84 H84 107.7 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 C86 H86A 109.5 . . ?
C84 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C84 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C88 C87 C89 111.3(3) . . ?
C88 C87 C81 113.7(3) . . ?
C89 C87 C81 110.7(3) . . ?
C88 C87 H87 106.9 . . ?
C89 C87 H87 106.9 . . ?
C81 C87 H87 106.9 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C87 C89 H89A 109.5 . . ?
C87 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C87 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C83 C90 C91 113.0(2) . . ?
C83 C90 C92 110.6(3) . . ?
C91 C90 C92 108.1(3) . . ?
C83 C90 H90 108.3 . . ?
C91 C90 H90 108.3 . . ?
C92 C90 H90 108.3 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C90 C92 H92A 109.5 . . ?
C90 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C90 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C93 C94 C93 128.7(10) . 2_656 ?
C93 C94 C97 84.5(11) . . ?
C93 C94 C97 145.7(14) 2_656 . ?
C93 C94 C97 145.7(14) . 2_656 ?
C93 C94 C97 84.5(11) 2_656 2_656 ?
C97 C94 C97 65(2) . 2_656 ?
C93 C94 C99 115.7(5) . . ?
C93 C94 C99 115.7(5) 2_656 . ?
C97 C94 C99 32.4(12) . . ?
C97 C94 C99 32.4(12) 2_656 . ?
C99 C97 C94 77(4) . . ?
C99 C97 C97 20(4) . 2_656 ?
C94 C97 C97 57.6(12) . 2_656 ?
C99 C97 C93 119(4) . . ?
C94 C97 C93 43.8(9) . . ?
C97 C97 C93 100.0(10) 2_656 . ?
C95 C96 C93 145(2) . . ?
C95 C96 C98 22.8(13) . . ?
C93 C96 C98 122.8(12) . . ?
C95 C98 C95 138(3) 2_656 . ?
C95 C98 C96 18.4(11) 2_656 2_656 ?
C95 C98 C96 119.5(17) . 2_656 ?
C95 C98 C96 119.5(17) 2_656 . ?
C95 C98 C96 18.4(11) . . ?
C96 C98 C96 101.1(12) 2_656 . ?
C97 C99 C97 141(8) . 2_656 ?
C97 C99 C94 70(4) . . ?
C97 C99 C94 70(4) 2_656 . ?
C96 C95 C98 139(2) . . ?
C96 C95 C93 19.6(12) . . ?
C98 C95 C93 119.6(15) . . ?
C96 C95 C95 117.7(15) . 2_656 ?
C98 C95 C95 21.1(13) . 2_656 ?
C93 C95 C95 98.6(4) . 2_656 ?
C96 C93 C94 121.1(11) . . ?
C96 C93 C95 15.2(9) . . ?
C94 C93 C95 106.7(7) . . ?
C96 C93 C97 163.9(13) . . ?
C94 C93 C97 51.7(9) . . ?
C95 C93 C97 156.0(11) . . ?

_refine_diff_density_max         0.883
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.094

_shelxl_version_number           2014/6



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
