#------------------------------------------------------------------------------
#$Date: 2016-03-05 09:12:06 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177641 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/84/7118427.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7118427
loop_
_publ_author_name
'Nieder, David'
'Yildiz, Cem B.'
'Jana, Anukul'
'Zimmer, Michael'
'Huch, Volker'
'Scheschkewitz, David'
_publ_section_title
;
 Dimerization of a marginally stable disilenyl germylene to tricyclic
 systems: evidence for reversible NHC-coordination.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2799
_journal_page_last               2802
_journal_paper_doi               10.1039/c5cc09878e
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C92 H144 Ge2 Si4, 0.5(C7 H8)'
_chemical_formula_sum            'C95.5 H152 Ge2 Si4'
_chemical_formula_weight         1557.70
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-11-27 deposited with the CCDC.
2016-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.911(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.8499(14)
_cell_length_b                   26.2285(14)
_cell_length_c                   20.2919(8)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      25.52
_cell_measurement_theta_min      2.43
_cell_volume                     17844.3(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0917
_diffrn_reflns_av_unetI/netI     0.0711
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            136792
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.502
_diffrn_reflns_theta_min         1.215
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, BrukerAXS 2014/4'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.160
_exptl_crystal_description       plate
_exptl_crystal_F_000             6760
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Toluene'
_exptl_crystal_size_max          0.389
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.046
_refine_diff_density_max         0.883
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     987
_refine_ls_number_reflns         18398
_refine_ls_number_restraints     110
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0437P)²+30.1432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0950
_refine_ls_wR_factor_ref         0.1105
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12500
_reflns_number_total             18398
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc09878e2.cif
_cod_data_source_block           sh3557
_cod_depositor_comments
'Adding full bibliography for 7118426--7118427.cif.'
_cod_original_formula_sum        'C95.50 H152 Ge2 Si4'
_cod_database_code               7118427
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.754
_shelx_estimated_absorpt_t_max   0.965
_shelxl_version_number           2014/6
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'
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
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'
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
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) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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
