#------------------------------------------------------------------------------
#$Date: 2017-10-06 05:43:01 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201802 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/07/7120747.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_7120747
loop_
_publ_author_name
'Mayer, Kerstin'
'Schiegerl, Lorenz'
'Kratky, Tim'
'Guenther, Sebastian'
'Fässler, Thomas F'
_publ_section_title
;
 TBC - Phil Power's 65th birthday Targeted Attachment of Functional Groups
 at Ge9 Clusters via Silylation Reactions
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC06622H
_journal_year                    2017
_chemical_formula_sum            'C78 H150 Ge18 K2 Si18'
_chemical_formula_weight         2978.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-08-17 deposited with the CCDC.
2017-10-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.80(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.404(4)
_cell_length_b                   27.045(5)
_cell_length_c                   27.036(5)
_cell_measurement_reflns_used    27390
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      58.53
_cell_measurement_theta_min      4.58
_cell_volume                     13218(5)
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_collection       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_molecular_graphics    'DIAMOND 3.2k'
_computing_structure_refinement  SHELXL-2014/7
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      123(2)
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1363
_diffrn_reflns_av_unetI/netI     0.0863
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            172183
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         3.132
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    4.282
_exptl_absorpt_correction_T_max  0.652
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_description       needle
_exptl_crystal_F_000             5936
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.821
_refine_diff_density_min         -0.830
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1083
_refine_ls_number_reflns         25936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.1290
_refine_ls_R_factor_gt           0.0651
_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)+(0.0753P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1404
_refine_ls_wR_factor_ref         0.1667
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13791
_reflns_number_total             25936
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc06622h2.cif
_cod_data_source_block           KM577
_cod_database_code               7120747
_shelx_shelxl_version_number     2014/7
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ge1 Ge 0.32297(5) 0.38651(3) 0.20457(3) 0.0379(2) Uani 1 1 d . .
Ge2 Ge 0.43231(5) 0.43764(3) 0.19121(3) 0.0396(2) Uani 1 1 d . .
Ge3 Ge 0.28574(5) 0.46767(3) 0.23651(3) 0.0402(2) Uani 1 1 d . .
Ge4 Ge 0.30525(5) 0.38371(3) 0.29545(3) 0.0390(2) Uani 1 1 d . .
Ge5 Ge 0.44404(5) 0.35460(3) 0.25286(3) 0.0370(2) Uani 1 1 d . .
Ge6 Ge 0.41794(5) 0.49980(3) 0.26087(4) 0.0400(2) Uani 1 1 d . .
Ge7 Ge 0.35289(5) 0.47253(3) 0.33148(3) 0.0405(2) Uani 1 1 d . .
Ge8 Ge 0.44123(5) 0.39972(3) 0.33592(3) 0.0373(2) Uani 1 1 d . .
Ge9 Ge 0.52142(5) 0.43622(3) 0.27756(3) 0.0394(2) Uani 1 1 d . .
Si1 Si 0.25702(13) 0.33815(8) 0.13773(9) 0.0368(5) Uani 1 1 d . .
Si2 Si 0.17538(14) 0.28630(9) 0.17032(9) 0.0418(6) Uani 1 1 d . .
C1 C 0.2248(6) 0.2499(4) 0.2251(4) 0.073(3) Uani 1 1 d . .
H1A H 0.2488 0.2726 0.2514 0.109 Uiso 1 1 calc R U
H1B H 0.2623 0.2289 0.2142 0.109 Uiso 1 1 calc R U
H1C H 0.1892 0.2292 0.2384 0.109 Uiso 1 1 calc R U
C2 C 0.1041(6) 0.3243(4) 0.1922(4) 0.070(3) Uani 1 1 d . .
H2A H 0.0681 0.3026 0.2039 0.105 Uiso 1 1 calc R U
H2B H 0.0787 0.3448 0.1643 0.105 Uiso 1 1 calc R U
H2C H 0.1276 0.3456 0.2199 0.105 Uiso 1 1 calc R U
C3 C 0.1300(7) 0.2431(4) 0.1197(4) 0.079(4) Uani 1 1 d . .
H3A H 0.0902 0.2250 0.1314 0.118 Uiso 1 1 calc R U
H3B H 0.1667 0.2195 0.1118 0.118 Uiso 1 1 calc R U
H3C H 0.1094 0.2620 0.0894 0.118 Uiso 1 1 calc R U
Si3 Si 0.19053(15) 0.39325(9) 0.07845(9) 0.0433(6) Uani 1 1 d . .
C4 C 0.1384(6) 0.4391(4) 0.1102(4) 0.059(3) Uani 1 1 d . .
H4A H 0.1114 0.4618 0.0851 0.089 Uiso 1 1 calc R U
H4B H 0.1732 0.4579 0.1351 0.089 Uiso 1 1 calc R U
H4C H 0.1033 0.4216 0.1271 0.089 Uiso 1 1 calc R U
C5 C 0.1265(6) 0.3578(4) 0.0295(4) 0.061(3) Uani 1 1 d . .
H5A H 0.0915 0.3391 0.0455 0.091 Uiso 1 1 calc R U
H5B H 0.1551 0.3349 0.0126 0.091 Uiso 1 1 calc R U
H5C H 0.0993 0.3808 0.0048 0.091 Uiso 1 1 calc R U
C6 C 0.2582(6) 0.4285(4) 0.0475(4) 0.065(3) Uani 1 1 d . .
H6A H 0.2893 0.4051 0.0331 0.098 Uiso 1 1 calc R U
H6B H 0.2894 0.4493 0.0725 0.098 Uiso 1 1 calc R U
H6C H 0.2311 0.4494 0.0206 0.098 Uiso 1 1 calc R U
Si4 Si 0.34702(15) 0.29283(10) 0.10568(10) 0.0503(7) Uani 1 1 d . .
C7 C 0.3884(6) 0.2440(4) 0.1512(4) 0.067(3) Uani 1 1 d . .
H7A H 0.4332 0.2309 0.1412 0.101 Uiso 1 1 calc R U
H7B H 0.3526 0.2172 0.1513 0.101 Uiso 1 1 calc R U
H7C H 0.4012 0.2582 0.1850 0.101 Uiso 1 1 calc R U
C8 C 0.4239(6) 0.3327(4) 0.0921(4) 0.070(3) Uani 1 1 d . .
H8A H 0.4509 0.3469 0.1236 0.104 Uiso 1 1 calc R U
H8B H 0.4034 0.3595 0.0692 0.104 Uiso 1 1 calc R U
H8C H 0.4578 0.3128 0.0763 0.104 Uiso 1 1 calc R U
C9 C 0.3006(6) 0.2622(5) 0.0456(4) 0.096(5) Uani 1 1 d . .
H9A H 0.3378 0.2450 0.0303 0.144 Uiso 1 1 calc R U
H9B H 0.2759 0.2873 0.0222 0.144 Uiso 1 1 calc R U
H9C H 0.2640 0.2383 0.0529 0.144 Uiso 1 1 calc R U
Si5 Si 0.42965(14) 0.57956(8) 0.22672(10) 0.0415(6) Uani 1 1 d . .
C10 C 0.4085(5) 0.6290(3) 0.2710(4) 0.053(2) Uani 1 1 d . .
H10 H 0.4112 0.6623 0.2605 0.063 Uiso 1 1 calc R U
C11 C 0.3907(6) 0.6216(4) 0.3143(4) 0.063(3) Uani 1 1 d . .
H11A H 0.3873 0.5889 0.3264 0.075 Uiso 1 1 calc R U
H11B H 0.3809 0.6490 0.3341 0.075 Uiso 1 1 calc R U
C12 C 0.3669(5) 0.5918(3) 0.1644(3) 0.042(2) Uani 1 1 d . .
C13 C 0.3202(5) 0.5571(3) 0.1368(4) 0.050(2) Uani 1 1 d . .
H13 H 0.3218 0.5238 0.1483 0.060 Uiso 1 1 calc R U
C14 C 0.2718(6) 0.5693(3) 0.0934(3) 0.051(2) Uani 1 1 d . .
H14 H 0.2416 0.5446 0.0750 0.061 Uiso 1 1 calc R U
C15 C 0.2671(6) 0.6176(4) 0.0766(4) 0.058(3) Uani 1 1 d . .
H15 H 0.2322 0.6264 0.0474 0.069 Uiso 1 1 calc R U
C16 C 0.3123(6) 0.6521(3) 0.1020(4) 0.058(3) Uani 1 1 d . .
H16 H 0.3116 0.6850 0.0897 0.069 Uiso 1 1 calc R U
C17 C 0.3601(6) 0.6390(3) 0.1463(4) 0.058(3) Uani 1 1 d . .
H17 H 0.3894 0.6641 0.1648 0.070 Uiso 1 1 calc R U
C18 C 0.5284(5) 0.5881(3) 0.2180(3) 0.042(2) Uani 1 1 d . .
C19 C 0.5583(5) 0.5596(3) 0.1841(3) 0.048(2) Uani 1 1 d . .
H19 H 0.5281 0.5352 0.1651 0.057 Uiso 1 1 calc R U
C20 C 0.6298(5) 0.5653(3) 0.1769(4) 0.051(2) Uani 1 1 d . .
H20 H 0.6485 0.5452 0.1533 0.061 Uiso 1 1 calc R U
C21 C 0.6744(5) 0.6011(3) 0.2048(4) 0.050(2) Uani 1 1 d . .
H21 H 0.7237 0.6058 0.2000 0.061 Uiso 1 1 calc R U
C22 C 0.6466(6) 0.6295(3) 0.2392(4) 0.055(3) Uani 1 1 d . .
H22 H 0.6775 0.6534 0.2584 0.067 Uiso 1 1 calc R U
C23 C 0.5753(5) 0.6239(3) 0.2463(3) 0.043(2) Uani 1 1 d . .
H23 H 0.5572 0.6440 0.2701 0.052 Uiso 1 1 calc R U
Si6 Si 0.48397(13) 0.34379(8) 0.40373(9) 0.0368(5) Uani 1 1 d . .
Si7 Si 0.47650(14) 0.38330(9) 0.48005(9) 0.0419(6) Uani 1 1 d . .
C24 C 0.5506(6) 0.4317(3) 0.4981(4) 0.062(3) Uani 1 1 d . .
H24A H 0.5994 0.4164 0.5004 0.093 Uiso 1 1 calc R U
H24B H 0.5465 0.4460 0.5307 0.093 Uiso 1 1 calc R U
H24C H 0.5444 0.4577 0.4724 0.093 Uiso 1 1 calc R U
C25 C 0.3845(5) 0.4145(4) 0.4752(3) 0.057(3) Uani 1 1 d . .
H25A H 0.3785 0.4393 0.4483 0.086 Uiso 1 1 calc R U
H25B H 0.3818 0.4307 0.5072 0.086 Uiso 1 1 calc R U
H25C H 0.3449 0.3898 0.4675 0.086 Uiso 1 1 calc R U
C26 C 0.4897(5) 0.3372(3) 0.5316(3) 0.054(2) Uani 1 1 d . .
H26A H 0.4505 0.3123 0.5248 0.081 Uiso 1 1 calc R U
H26B H 0.4877 0.3539 0.5635 0.081 Uiso 1 1 calc R U
H26C H 0.5380 0.3212 0.5338 0.081 Uiso 1 1 calc R U
Si8 Si 0.41336(14) 0.27086(9) 0.39700(10) 0.0439(6) Uani 1 1 d . .
C27 C 0.4606(6) 0.2220(3) 0.4399(4) 0.063(3) Uani 1 1 d . .
H27A H 0.4284 0.1930 0.4385 0.095 Uiso 1 1 calc R U
H27B H 0.4716 0.2348 0.4745 0.095 Uiso 1 1 calc R U
H27C H 0.5069 0.2126 0.4294 0.095 Uiso 1 1 calc R U
C28 C 0.3218(5) 0.2842(3) 0.4148(3) 0.053(2) Uani 1 1 d . .
H28A H 0.2948 0.3083 0.3912 0.080 Uiso 1 1 calc R U
H28B H 0.3296 0.2976 0.4490 0.080 Uiso 1 1 calc R U
H28C H 0.2930 0.2535 0.4134 0.080 Uiso 1 1 calc R U
C29 C 0.3957(6) 0.2448(3) 0.3322(4) 0.059(3) Uani 1 1 d . .
H29A H 0.3675 0.2686 0.3089 0.089 Uiso 1 1 calc R U
H29B H 0.3673 0.2141 0.3318 0.089 Uiso 1 1 calc R U
H29C H 0.4429 0.2378 0.3219 0.089 Uiso 1 1 calc R U
Si9 Si 0.60512(14) 0.32232(9) 0.39776(9) 0.0398(6) Uani 1 1 d . .
C30 C 0.6500(5) 0.2893(3) 0.4569(3) 0.050(2) Uani 1 1 d . .
H30A H 0.6190 0.2614 0.4630 0.075 Uiso 1 1 calc R U
H30B H 0.6556 0.3123 0.4854 0.075 Uiso 1 1 calc R U
H30C H 0.6988 0.2772 0.4530 0.075 Uiso 1 1 calc R U
C31 C 0.6030(5) 0.2795(3) 0.3432(3) 0.053(2) Uani 1 1 d . .
H31A H 0.5805 0.2964 0.3120 0.080 Uiso 1 1 calc R U
H31B H 0.5738 0.2501 0.3478 0.080 Uiso 1 1 calc R U
H31C H 0.6535 0.2696 0.3413 0.080 Uiso 1 1 calc R U
C32 C 0.6614(5) 0.3770(3) 0.3895(4) 0.053(2) Uani 1 1 d . .
H32A H 0.7109 0.3664 0.3855 0.080 Uiso 1 1 calc R U
H32B H 0.6654 0.3985 0.4191 0.080 Uiso 1 1 calc R U
H32C H 0.6378 0.3953 0.3594 0.080 Uiso 1 1 calc R U
Ge10 Ge 0.82621(5) 0.39113(3) 0.19993(3) 0.0383(2) Uani 1 1 d . .
Ge11 Ge 0.94303(5) 0.43855(3) 0.19585(3) 0.0394(2) Uani 1 1 d . .
Ge12 Ge 0.94032(5) 0.35149(3) 0.25024(3) 0.0372(2) Uani 1 1 d . .
Ge13 Ge 0.79013(5) 0.46912(3) 0.23835(4) 0.0416(2) Uani 1 1 d . .
Ge14 Ge 0.80155(5) 0.38047(3) 0.28876(3) 0.0401(2) Uani 1 1 d . .
Ge15 Ge 0.92388(5) 0.49614(3) 0.26831(3) 0.0400(2) Uani 1 1 d . .
Ge16 Ge 0.85121(5) 0.46511(3) 0.33412(3) 0.0410(2) Uani 1 1 d . .
Ge17 Ge 0.93544(5) 0.39022(3) 0.33590(3) 0.0384(2) Uani 1 1 d . .
Ge18 Ge 1.02309(5) 0.42941(3) 0.28490(3) 0.0398(2) Uani 1 1 d . .
Si10 Si 0.75701(14) 0.34289(8) 0.13443(9) 0.0379(5) Uani 1 1 d . .
Si11 Si 0.68008(14) 0.28977(9) 0.16968(10) 0.0411(6) Uani 1 1 d . .
C33 C 0.6142(5) 0.3251(3) 0.2011(4) 0.057(3) Uani 1 1 d . .
H33A H 0.5859 0.3483 0.1770 0.085 Uiso 1 1 calc R U
H33B H 0.6419 0.3436 0.2298 0.085 Uiso 1 1 calc R U
H33C H 0.5801 0.3021 0.2131 0.085 Uiso 1 1 calc R U
C34 C 0.6235(5) 0.2513(3) 0.1176(4) 0.054(3) Uani 1 1 d . .
H34A H 0.5985 0.2731 0.0909 0.082 Uiso 1 1 calc R U
H34B H 0.5865 0.2322 0.1313 0.082 Uiso 1 1 calc R U
H34C H 0.6562 0.2286 0.1039 0.082 Uiso 1 1 calc R U
C35 C 0.7369(6) 0.2481(3) 0.2174(3) 0.054(3) Uani 1 1 d . .
H35A H 0.7040 0.2278 0.2337 0.082 Uiso 1 1 calc R U
H35B H 0.7688 0.2681 0.2429 0.082 Uiso 1 1 calc R U
H35C H 0.7676 0.2266 0.2006 0.082 Uiso 1 1 calc R U
Si12 Si 0.68584(15) 0.39874(9) 0.07879(10) 0.0453(6) Uani 1 1 d . .
C36 C 0.6270(6) 0.3637(3) 0.0260(4) 0.057(3) Uani 1 1 d . .
H36A H 0.6085 0.3864 -0.0018 0.086 Uiso 1 1 calc R U
H36B H 0.5850 0.3487 0.0381 0.086 Uiso 1 1 calc R U
H36C H 0.6566 0.3377 0.0141 0.086 Uiso 1 1 calc R U
C37 C 0.6251(6) 0.4354(3) 0.1140(4) 0.064(3) Uani 1 1 d . .
H37A H 0.5989 0.4609 0.0918 0.096 Uiso 1 1 calc R U
H37B H 0.6557 0.4511 0.1434 0.096 Uiso 1 1 calc R U
H37C H 0.5891 0.4133 0.1251 0.096 Uiso 1 1 calc R U
C38 C 0.7499(6) 0.4419(3) 0.0539(4) 0.063(3) Uani 1 1 d . .
H38A H 0.7896 0.4229 0.0433 0.095 Uiso 1 1 calc R U
H38B H 0.7712 0.4653 0.0804 0.095 Uiso 1 1 calc R U
H38C H 0.7224 0.4602 0.0251 0.095 Uiso 1 1 calc R U
Si13 Si 0.84514(14) 0.29988(9) 0.09813(10) 0.0443(6) Uani 1 1 d . .
C39 C 0.8928(6) 0.2500(3) 0.1422(4) 0.057(3) Uani 1 1 d . .
H39A H 0.8590 0.2220 0.1425 0.085 Uiso 1 1 calc R U
H39B H 0.9067 0.2634 0.1763 0.085 Uiso 1 1 calc R U
H39C H 0.9373 0.2387 0.1305 0.085 Uiso 1 1 calc R U
C40 C 0.7959(5) 0.2679(3) 0.0387(3) 0.053(2) Uani 1 1 d . .
H40A H 0.7801 0.2926 0.0124 0.080 Uiso 1 1 calc R U
H40B H 0.7524 0.2503 0.0458 0.080 Uiso 1 1 calc R U
H40C H 0.8296 0.2443 0.0273 0.080 Uiso 1 1 calc R U
C41 C 0.9167(6) 0.3421(4) 0.0817(4) 0.063(3) Uani 1 1 d . .
H41A H 0.9518 0.3230 0.0662 0.095 Uiso 1 1 calc R U
H41B H 0.9430 0.3582 0.1123 0.095 Uiso 1 1 calc R U
H41C H 0.8929 0.3672 0.0579 0.095 Uiso 1 1 calc R U
Si14 Si 0.93960(14) 0.57913(8) 0.24370(9) 0.0402(6) Uani 1 1 d . .
C42 C 0.9220(6) 0.6234(3) 0.2933(4) 0.057(3) Uani 1 1 d . .
H42 H 0.9314 0.6574 0.2881 0.069 Uiso 1 1 calc R U
C43 C 0.8979(6) 0.6120(4) 0.3343(4) 0.069(3) Uani 1 1 d . .
H43A H 0.8878 0.5785 0.3412 0.083 Uiso 1 1 calc R U
H43B H 0.8906 0.6372 0.3574 0.083 Uiso 1 1 calc R U
C44 C 1.0373(5) 0.5876(3) 0.2336(3) 0.0367(19) Uani 1 1 d . .
C45 C 1.0620(5) 0.5613(3) 0.1950(3) 0.045(2) Uani 1 1 d . .
H45 H 1.0293 0.5395 0.1741 0.053 Uiso 1 1 calc R U
C46 C 1.1343(5) 0.5673(3) 0.1873(3) 0.049(2) Uani 1 1 d . .
H46 H 1.1506 0.5493 0.1613 0.059 Uiso 1 1 calc R U
C47 C 1.1826(5) 0.5990(3) 0.2170(4) 0.050(2) Uani 1 1 d . .
H47 H 1.2316 0.6030 0.2112 0.060 Uiso 1 1 calc R U
C48 C 1.1593(5) 0.6250(3) 0.2552(4) 0.055(3) Uani 1 1 d . .
H48 H 1.1928 0.6464 0.2761 0.066 Uiso 1 1 calc R U
C49 C 1.0879(5) 0.6201(3) 0.2631(3) 0.050(2) Uani 1 1 d . .
H49 H 1.0723 0.6390 0.2888 0.060 Uiso 1 1 calc R U
C50 C 0.8755(5) 0.5980(3) 0.1843(3) 0.046(2) Uani 1 1 d . .
C51 C 0.8406(6) 0.5651(3) 0.1475(3) 0.053(3) Uani 1 1 d . .
H51 H 0.8495 0.5306 0.1520 0.064 Uiso 1 1 calc R U
C52 C 0.7936(5) 0.5815(4) 0.1048(4) 0.055(3) Uani 1 1 d . .
H52 H 0.7710 0.5583 0.0802 0.066 Uiso 1 1 calc R U
C53 C 0.7795(5) 0.6308(4) 0.0975(4) 0.057(3) Uani 1 1 d . .
H53 H 0.7463 0.6418 0.0683 0.069 Uiso 1 1 calc R U
C54 C 0.8129(6) 0.6640(4) 0.1319(4) 0.071(3) Uani 1 1 d . .
H54 H 0.8041 0.6984 0.1263 0.085 Uiso 1 1 calc R U
C55 C 0.8598(5) 0.6481(3) 0.1754(4) 0.054(3) Uani 1 1 d . .
H55 H 0.8818 0.6718 0.1995 0.065 Uiso 1 1 calc R U
Si15 Si 0.97346(13) 0.32977(8) 0.40030(8) 0.0359(5) Uani 1 1 d . .
Si16 Si 0.95143(14) 0.36757(9) 0.47411(9) 0.0395(6) Uani 1 1 d . .
C56 C 0.8486(5) 0.3725(4) 0.4711(3) 0.061(3) Uani 1 1 d . .
H56A H 0.8263 0.3912 0.4410 0.092 Uiso 1 1 calc R U
H56B H 0.8391 0.3896 0.5012 0.092 Uiso 1 1 calc R U
H56C H 0.8270 0.3393 0.4696 0.092 Uiso 1 1 calc R U
C57 C 0.9897(6) 0.4313(3) 0.4801(4) 0.058(3) Uani 1 1 d . .
H57A H 1.0434 0.4300 0.4820 0.088 Uiso 1 1 calc R U
H57B H 0.9789 0.4467 0.5107 0.088 Uiso 1 1 calc R U
H57C H 0.9671 0.4509 0.4507 0.088 Uiso 1 1 calc R U
C58 C 0.9935(5) 0.3310(3) 0.5316(3) 0.051(2) Uani 1 1 d . .
H58A H 0.9770 0.2965 0.5274 0.076 Uiso 1 1 calc R U
H58B H 0.9779 0.3451 0.5613 0.076 Uiso 1 1 calc R U
H58C H 1.0476 0.3322 0.5361 0.076 Uiso 1 1 calc R U
Si17 Si 1.09964(13) 0.31540(9) 0.40253(9) 0.0399(6) Uani 1 1 d . .
C59 C 1.1178(5) 0.2983(3) 0.3393(3) 0.050(2) Uani 1 1 d . .
H59A H 1.0859 0.2705 0.3258 0.076 Uiso 1 1 calc R U
H59B H 1.1697 0.2888 0.3421 0.076 Uiso 1 1 calc R U
H59C H 1.1071 0.3267 0.3165 0.076 Uiso 1 1 calc R U
C60 C 1.1302(5) 0.2643(4) 0.4487(4) 0.057(3) Uani 1 1 d . .
H60A H 1.1140 0.2325 0.4332 0.085 Uiso 1 1 calc R U
H60B H 1.1082 0.2692 0.4787 0.085 Uiso 1 1 calc R U
H60C H 1.1842 0.2647 0.4584 0.085 Uiso 1 1 calc R U
C61 C 1.1550(5) 0.3726(3) 0.4222(5) 0.071(3) Uani 1 1 d . .
H61A H 1.1429 0.3979 0.3961 0.106 Uiso 1 1 calc R U
H61B H 1.2079 0.3648 0.4270 0.106 Uiso 1 1 calc R U
H61C H 1.1433 0.3850 0.4539 0.106 Uiso 1 1 calc R U
Si18 Si 0.91265(14) 0.25312(9) 0.38450(9) 0.0414(6) Uani 1 1 d . .
C62 C 0.8108(5) 0.2599(4) 0.3694(4) 0.063(3) Uani 1 1 d . .
H62A H 0.7973 0.2835 0.3417 0.094 Uiso 1 1 calc R U
H62B H 0.7929 0.2719 0.3991 0.094 Uiso 1 1 calc R U
H62C H 0.7882 0.2277 0.3593 0.094 Uiso 1 1 calc R U
C63 C 0.9429(6) 0.2204(4) 0.3308(4) 0.072(3) Uani 1 1 d . .
H63A H 0.9174 0.1885 0.3252 0.107 Uiso 1 1 calc R U
H63B H 0.9964 0.2150 0.3388 0.107 Uiso 1 1 calc R U
H63C H 0.9306 0.2407 0.3003 0.107 Uiso 1 1 calc R U
C64 C 0.9338(6) 0.2127(3) 0.4418(4) 0.065(3) Uani 1 1 d . .
H64A H 0.9091 0.1807 0.4346 0.097 Uiso 1 1 calc R U
H64B H 0.9160 0.2286 0.4698 0.097 Uiso 1 1 calc R U
H64C H 0.9874 0.2076 0.4509 0.097 Uiso 1 1 calc R U
K1 K 0.16053(11) 0.51603(7) 0.30182(7) 0.0432(5) Uani 1 1 d . .
K2 K 0.65887(11) 0.52375(7) 0.29286(7) 0.0456(5) Uani 1 1 d . .
C65 C 0.2104(6) 0.5892(3) 0.4069(3) 0.050(2) Uani 1 1 d . .
C66 C 0.2400(5) 0.5436(3) 0.4228(3) 0.048(2) Uani 1 1 d . .
H66 H 0.2920 0.5402 0.4331 0.057 Uiso 1 1 calc R U
C67 C 0.1950(6) 0.5030(3) 0.4237(3) 0.053(2) Uani 1 1 d . .
H67 H 0.2162 0.4716 0.4334 0.064 Uiso 1 1 calc R U
C68 C 0.1174(6) 0.5080(4) 0.4103(3) 0.053(2) Uani 1 1 d . .
H68 H 0.0860 0.4806 0.4125 0.064 Uiso 1 1 calc R U
C69 C 0.0883(6) 0.5530(4) 0.3942(3) 0.054(3) Uani 1 1 d . .
H69 H 0.0363 0.5569 0.3842 0.065 Uiso 1 1 calc R U
C70 C 0.1359(6) 0.5938(3) 0.3925(3) 0.053(3) Uani 1 1 d . .
H70 H 0.1155 0.6250 0.3810 0.064 Uiso 1 1 calc R U
C71 C 0.2594(6) 0.6337(4) 0.4073(4) 0.069(3) Uani 1 1 d . .
H71A H 0.2491 0.6496 0.3742 0.103 Uiso 1 1 calc R U
H71B H 0.3113 0.6233 0.4150 0.103 Uiso 1 1 calc R U
H71C H 0.2497 0.6571 0.4330 0.103 Uiso 1 1 calc R U
C72 C 0.7240(6) 0.5591(4) 0.4162(4) 0.060(3) Uani 1 1 d . .
C73 C 0.6869(6) 0.5144(4) 0.4167(3) 0.052(2) Uani 1 1 d . .
H73 H 0.7131 0.4857 0.4301 0.063 Uiso 1 1 calc R U
C74 C 0.6118(6) 0.5118(4) 0.3976(3) 0.053(2) Uani 1 1 d . .
H74 H 0.5868 0.4811 0.3973 0.064 Uiso 1 1 calc R U
C75 C 0.5735(6) 0.5529(5) 0.3792(4) 0.064(3) Uani 1 1 d . .
H75 H 0.5216 0.5514 0.3672 0.077 Uiso 1 1 calc R U
C76 C 0.6123(8) 0.5977(5) 0.3784(4) 0.079(4) Uani 1 1 d . .
H76 H 0.5868 0.6265 0.3647 0.095 Uiso 1 1 calc R U
C77 C 0.6853(8) 0.5998(4) 0.3970(4) 0.065(3) Uani 1 1 d . .
H77 H 0.7104 0.6305 0.3967 0.078 Uiso 1 1 calc R U
C78 C 0.8073(7) 0.5611(5) 0.4389(4) 0.084(4) Uani 1 1 d . .
H78A H 0.8341 0.5387 0.4202 0.127 Uiso 1 1 calc R U
H78B H 0.8151 0.5508 0.4743 0.127 Uiso 1 1 calc R U
H78C H 0.8255 0.5949 0.4368 0.127 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
Si1 Ge1 Ge3 127.79(7) . .
Si1 Ge1 Ge5 118.90(7) . .
Ge3 Ge1 Ge5 113.29(5) . .
Si1 Ge1 Ge2 120.07(7) . .
Ge3 Ge1 Ge2 81.14(4) . .
Ge5 Ge1 Ge2 67.02(4) . .
Si1 Ge1 Ge4 125.48(7) . .
Ge3 Ge1 Ge4 66.36(4) . .
Ge5 Ge1 Ge4 75.49(4) . .
Ge2 Ge1 Ge4 113.92(5) . .
Ge1 Ge2 Ge6 93.39(5) . .
Ge1 Ge2 Ge9 104.48(5) . .
Ge6 Ge2 Ge9 58.99(4) . .
Ge1 Ge2 Ge5 56.35(4) . .
Ge6 Ge2 Ge5 95.51(4) . .
Ge9 Ge2 Ge5 58.85(3) . .
Ge1 Ge3 Ge6 94.49(4) . .
Ge1 Ge3 Ge7 105.74(4) . .
Ge6 Ge3 Ge7 58.75(4) . .
Ge1 Ge3 Ge4 57.49(4) . .
Ge6 Ge3 Ge4 96.70(5) . .
Ge7 Ge3 Ge4 59.46(3) . .
Ge1 Ge3 K1 140.33(5) . .
Ge6 Ge3 K1 116.07(5) . .
Ge7 Ge3 K1 73.50(5) . .
Ge4 Ge3 K1 92.52(5) . .
Ge1 Ge4 Ge8 96.62(5) . .
Ge1 Ge4 Ge7 103.45(4) . .
Ge8 Ge4 Ge7 57.88(4) . .
Ge1 Ge4 Ge3 56.15(3) . .
Ge8 Ge4 Ge3 96.78(4) . .
Ge7 Ge4 Ge3 57.99(4) . .
Ge1 Ge5 Ge8 97.47(5) . .
Ge1 Ge5 Ge9 103.15(4) . .
Ge8 Ge5 Ge9 58.66(4) . .
Ge1 Ge5 Ge2 56.63(4) . .
Ge8 Ge5 Ge2 97.38(4) . .
Ge9 Ge5 Ge2 56.96(4) . .
Si5 Ge6 Ge9 124.36(8) . .
Si5 Ge6 Ge7 130.18(7) . .
Ge9 Ge6 Ge7 96.48(5) . .
Si5 Ge6 Ge3 111.17(8) . .
Ge9 Ge6 Ge3 117.51(5) . .
Ge7 Ge6 Ge3 62.29(4) . .
Si5 Ge6 Ge2 106.25(7) . .
Ge9 Ge6 Ge2 60.80(4) . .
Ge7 Ge6 Ge2 119.12(5) . .
Ge3 Ge6 Ge2 79.20(4) . .
Ge8 Ge7 Ge6 82.72(4) . .
Ge8 Ge7 Ge3 100.74(4) . .
Ge6 Ge7 Ge3 58.96(4) . .
Ge8 Ge7 Ge4 59.01(4) . .
Ge6 Ge7 Ge4 98.92(4) . .
Ge3 Ge7 Ge4 62.55(4) . .
Ge8 Ge7 K1 147.14(5) . .
Ge6 Ge7 K1 108.24(5) . .
Ge3 Ge7 K1 63.04(5) . .
Ge4 Ge7 K1 88.36(5) . .
Si6 Ge8 Ge7 129.88(7) . .
Si6 Ge8 Ge9 124.95(7) . .
Ge7 Ge8 Ge9 96.32(4) . .
Si6 Ge8 Ge5 108.20(7) . .
Ge7 Ge8 Ge5 116.42(5) . .
Ge9 Ge8 Ge5 62.22(4) . .
Si6 Ge8 Ge4 111.92(7) . .
Ge7 Ge8 Ge4 63.11(4) . .
Ge9 Ge8 Ge4 115.54(5) . .
Ge5 Ge8 Ge4 74.05(4) . .
Ge6 Ge9 Ge8 82.57(4) . .
Ge6 Ge9 Ge2 60.21(4) . .
Ge8 Ge9 Ge2 102.78(5) . .
Ge6 Ge9 Ge5 99.77(5) . .
Ge8 Ge9 Ge5 59.12(3) . .
Ge2 Ge9 Ge5 64.19(4) . .
Ge6 Ge9 K2 93.76(5) . .
Ge8 Ge9 K2 133.69(5) . .
Ge2 Ge9 K2 115.23(5) . .
Ge5 Ge9 K2 162.97(5) . .
Si2 Si1 Si4 111.82(13) . .
Si2 Si1 Si3 110.26(13) . .
Si4 Si1 Si3 113.00(13) . .
Si2 Si1 Ge1 108.42(11) . .
Si4 Si1 Ge1 105.83(12) . .
Si3 Si1 Ge1 107.22(11) . .
C2 Si2 C1 108.0(5) . .
C2 Si2 C3 109.5(6) . .
C1 Si2 C3 109.6(5) . .
C2 Si2 Si1 109.3(3) . .
C1 Si2 Si1 111.2(4) . .
C3 Si2 Si1 109.2(3) . .
Si2 C1 H1A 109.5 . .
Si2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si2 C2 H2A 109.5 . .
Si2 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si2 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si2 C3 H3A 109.5 . .
Si2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C5 Si3 C4 110.9(5) . .
C5 Si3 C6 109.1(5) . .
C4 Si3 C6 107.9(5) . .
C5 Si3 Si1 109.6(3) . .
C4 Si3 Si1 110.6(3) . .
C6 Si3 Si1 108.7(3) . .
Si3 C4 H4A 109.5 . .
Si3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si3 C5 H5A 109.5 . .
Si3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si3 C6 H6A 109.5 . .
Si3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C7 Si4 C8 107.9(5) . .
C7 Si4 C9 108.7(6) . .
C8 Si4 C9 108.8(6) . .
C7 Si4 Si1 110.8(3) . .
C8 Si4 Si1 112.5(4) . .
C9 Si4 Si1 108.1(4) . .
Si4 C7 H7A 109.5 . .
Si4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si4 C8 H8A 109.5 . .
Si4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si4 C9 H9A 109.5 . .
Si4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C10 Si5 C12 106.1(4) . .
C10 Si5 C18 108.1(4) . .
C12 Si5 C18 108.0(4) . .
C10 Si5 Ge6 110.7(3) . .
C12 Si5 Ge6 115.0(3) . .
C18 Si5 Ge6 108.6(3) . .
C11 C10 Si5 125.9(8) . .
C11 C10 H10 117.1 . .
Si5 C10 H10 117.1 . .
C10 C11 H11A 120.0 . .
C10 C11 H11B 120.0 . .
H11A C11 H11B 120.0 . .
C17 C12 C13 115.7(9) . .
C17 C12 Si5 119.0(7) . .
C13 C12 Si5 125.0(7) . .
C14 C13 C12 122.0(9) . .
C14 C13 H13 119.0 . .
C12 C13 H13 119.0 . .
C13 C14 C15 120.1(9) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C16 C15 C14 119.5(9) . .
C16 C15 H15 120.3 . .
C14 C15 H15 120.3 . .
C15 C16 C17 119.4(9) . .
C15 C16 H16 120.3 . .
C17 C16 H16 120.3 . .
C12 C17 C16 123.1(10) . .
C12 C17 H17 118.4 . .
C16 C17 H17 118.4 . .
C19 C18 C23 117.2(8) . .
C19 C18 Si5 121.7(7) . .
C23 C18 Si5 121.2(6) . .
C19 C18 K2 77.3(5) . .
C23 C18 K2 74.5(5) . .
Si5 C18 K2 117.5(3) . .
C20 C19 C18 122.8(9) . .
C20 C19 K2 76.6(6) . .
C18 C19 K2 78.5(5) . .
C20 C19 H19 118.6 . .
C18 C19 H19 118.6 . .
K2 C19 H19 116.7 . .
C19 C20 C21 118.8(9) . .
C19 C20 K2 79.3(5) . .
C21 C20 K2 75.3(5) . .
C19 C20 H20 120.6 . .
C21 C20 H20 120.6 . .
K2 C20 H20 115.5 . .
C22 C21 C20 119.8(9) . .
C22 C21 K2 76.5(5) . .
C20 C21 K2 79.9(5) . .
C22 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
K2 C21 H21 114.0 . .
C23 C22 C21 121.3(9) . .
C23 C22 K2 80.0(5) . .
C21 C22 K2 78.7(5) . .
C23 C22 H22 119.3 . .
C21 C22 H22 119.3 . .
K2 C22 H22 112.2 . .
C22 C23 C18 120.1(8) . .
C22 C23 K2 75.5(5) . .
C18 C23 K2 80.6(5) . .
C22 C23 H23 120.0 . .
C18 C23 H23 120.0 . .
K2 C23 H23 114.5 . .
Si9 Si6 Si8 107.87(13) . .
Si9 Si6 Si7 112.76(13) . .
Si8 Si6 Si7 109.09(13) . .
Si9 Si6 Ge8 106.55(11) . .
Si8 Si6 Ge8 111.93(12) . .
Si7 Si6 Ge8 108.68(11) . .
C26 Si7 C25 110.2(4) . .
C26 Si7 C24 106.6(4) . .
C25 Si7 C24 107.8(5) . .
C26 Si7 Si6 109.5(3) . .
C25 Si7 Si6 110.1(3) . .
C24 Si7 Si6 112.5(3) . .
Si7 C24 H24A 109.5 . .
Si7 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si7 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si7 C25 H25A 109.5 . .
Si7 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si7 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si7 C26 H26A 109.5 . .
Si7 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si7 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C29 Si8 C27 107.2(5) . .
C29 Si8 C28 107.9(4) . .
C27 Si8 C28 108.3(4) . .
C29 Si8 Si6 112.8(3) . .
C27 Si8 Si6 111.1(3) . .
C28 Si8 Si6 109.3(3) . .
Si8 C27 H27A 109.5 . .
Si8 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
Si8 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Si8 C28 H28A 109.5 . .
Si8 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
Si8 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Si8 C29 H29A 109.5 . .
Si8 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
Si8 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C32 Si9 C31 109.3(5) . .
C32 Si9 C30 108.5(4) . .
C31 Si9 C30 108.5(4) . .
C32 Si9 Si6 111.9(3) . .
C31 Si9 Si6 109.2(3) . .
C30 Si9 Si6 109.4(3) . .
Si9 C30 H30A 109.5 . .
Si9 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
Si9 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Si9 C31 H31A 109.5 . .
Si9 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
Si9 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Si9 C32 H32A 109.5 . .
Si9 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
Si9 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
Si10 Ge10 Ge13 128.96(7) . .
Si10 Ge10 Ge12 116.51(7) . .
Ge13 Ge10 Ge12 113.27(5) . .
Si10 Ge10 Ge11 126.16(7) . .
Ge13 Ge10 Ge11 83.34(4) . .
Ge12 Ge10 Ge11 66.97(4) . .
Si10 Ge10 Ge14 118.52(7) . .
Ge13 Ge10 Ge14 66.05(4) . .
Ge12 Ge10 Ge14 73.73(4) . .
Ge11 Ge10 Ge14 113.78(5) . .
Ge10 Ge11 Ge15 92.00(5) . .
Ge10 Ge11 Ge18 104.59(5) . .
Ge15 Ge11 Ge18 59.06(4) . .
Ge10 Ge11 Ge12 56.42(4) . .
Ge15 Ge11 Ge12 95.23(4) . .
Ge18 Ge11 Ge12 59.39(3) . .
Ge10 Ge12 Ge17 98.48(5) . .
Ge10 Ge12 Ge18 102.55(4) . .
Ge17 Ge12 Ge18 58.18(4) . .
Ge10 Ge12 Ge11 56.61(4) . .
Ge17 Ge12 Ge11 98.00(4) . .
Ge18 Ge12 Ge11 56.70(4) . .
Ge10 Ge13 Ge15 93.33(4) . .
Ge10 Ge13 Ge16 106.12(4) . .
Ge15 Ge13 Ge16 59.27(4) . .
Ge10 Ge13 Ge14 57.80(4) . .
Ge15 Ge13 Ge14 96.49(4) . .
Ge16 Ge13 Ge14 59.71(3) . .
Ge10 Ge13 K2 144.59(5) . .
Ge15 Ge13 K2 117.42(5) . .
Ge16 Ge13 K2 78.34(5) . .
Ge14 Ge13 K2 99.15(5) . .
Ge10 Ge14 Ge17 97.62(5) . .
Ge10 Ge14 Ge16 103.29(4) . .
Ge17 Ge14 Ge16 58.05(4) . .
Ge10 Ge14 Ge13 56.15(3) . .
Ge17 Ge14 Ge13 97.69(4) . .
Ge16 Ge14 Ge13 57.89(4) . .
Si14 Ge15 Ge18 126.75(8) . .
Si14 Ge15 Ge13 110.07(7) . .
Ge18 Ge15 Ge13 118.06(5) . .
Si14 Ge15 Ge16 127.72(7) . .
Ge18 Ge15 Ge16 95.51(4) . .
Ge13 Ge15 Ge16 61.82(4) . .
Si14 Ge15 Ge11 108.49(7) . .
Ge18 Ge15 Ge11 60.67(4) . .
Ge13 Ge15 Ge11 81.19(5) . .
Ge16 Ge15 Ge11 119.59(5) . .
Ge17 Ge16 Ge15 83.01(4) . .
Ge17 Ge16 Ge13 101.43(4) . .
Ge15 Ge16 Ge13 58.91(4) . .
Ge17 Ge16 Ge14 58.83(4) . .
Ge15 Ge16 Ge14 98.05(4) . .
Ge13 Ge16 Ge14 62.41(4) . .
Ge17 Ge16 K2 149.00(5) . .
Ge15 Ge16 K2 103.62(5) . .
Ge13 Ge16 K2 59.76(5) . .
Ge14 Ge16 K2 90.17(5) . .
Si15 Ge17 Ge18 123.39(7) . .
Si15 Ge17 Ge16 130.59(7) . .
Ge18 Ge17 Ge16 95.98(4) . .
Si15 Ge17 Ge12 108.88(7) . .
Ge18 Ge17 Ge12 63.02(4) . .
Ge16 Ge17 Ge12 115.67(5) . .
Si15 Ge17 Ge14 114.41(7) . .
Ge18 Ge17 Ge14 114.92(5) . .
Ge16 Ge17 Ge14 63.11(4) . .
Ge12 Ge17 Ge14 72.65(4) . .
Ge17 Ge18 Ge15 83.34(4) . .
Ge17 Ge18 Ge11 103.64(5) . .
Ge15 Ge18 Ge11 60.27(4) . .
Ge17 Ge18 Ge12 58.80(4) . .
Ge15 Ge18 Ge12 98.90(5) . .
Ge11 Ge18 Ge12 63.91(4) . .
Ge17 Ge18 K1 137.98(5) . 1_655
Ge15 Ge18 K1 91.50(5) . 1_655
Ge11 Ge18 K1 109.72(5) . 1_655
Ge12 Ge18 K1 161.73(5) . 1_655
Si11 Si10 Si12 110.36(13) . .
Si11 Si10 Si13 112.51(13) . .
Si12 Si10 Si13 113.31(13) . .
Si11 Si10 Ge10 108.35(11) . .
Si12 Si10 Ge10 106.35(11) . .
Si13 Si10 Ge10 105.53(12) . .
C33 Si11 C35 108.7(5) . .
C33 Si11 C34 107.8(5) . .
C35 Si11 C34 109.7(4) . .
C33 Si11 Si10 111.4(3) . .
C35 Si11 Si10 110.3(3) . .
C34 Si11 Si10 108.9(3) . .
Si11 C33 H33A 109.5 . .
Si11 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
Si11 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si11 C34 H34A 109.5 . .
Si11 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si11 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
Si11 C35 H35A 109.5 . .
Si11 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
Si11 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C38 Si12 C36 110.8(5) . .
C38 Si12 C37 109.1(5) . .
C36 Si12 C37 109.7(5) . .
C38 Si12 Si10 108.5(3) . .
C36 Si12 Si10 109.6(3) . .
C37 Si12 Si10 109.2(3) . .
Si12 C36 H36A 109.5 . .
Si12 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
Si12 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
Si12 C37 H37A 109.5 . .
Si12 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
Si12 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
Si12 C38 H38A 109.5 . .
Si12 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
Si12 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C41 Si13 C40 108.9(4) . .
C41 Si13 C39 108.7(5) . .
C40 Si13 C39 107.3(4) . .
C41 Si13 Si10 111.8(3) . .
C40 Si13 Si10 108.7(3) . .
C39 Si13 Si10 111.3(3) . .
Si13 C39 H39A 109.5 . .
Si13 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
Si13 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
Si13 C40 H40A 109.5 . .
Si13 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
Si13 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
Si13 C41 H41A 109.5 . .
Si13 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
Si13 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C42 Si14 C50 105.8(4) . .
C42 Si14 C44 109.0(4) . .
C50 Si14 C44 107.9(4) . .
C42 Si14 Ge15 111.0(3) . .
C50 Si14 Ge15 114.0(3) . .
C44 Si14 Ge15 109.0(3) . .
C43 C42 Si14 126.1(8) . .
C43 C42 H42 116.9 . .
Si14 C42 H42 116.9 . .
C42 C43 H43A 120.0 . .
C42 C43 H43B 120.0 . .
H43A C43 H43B 120.0 . .
C45 C44 C49 117.6(8) . .
C45 C44 Si14 119.8(7) . .
C49 C44 Si14 122.7(7) . .
C45 C44 K1 80.4(5) . 1_655
C49 C44 K1 74.7(5) . 1_655
Si14 C44 K1 115.2(3) . 1_655
C46 C45 C44 120.1(9) . .
C46 C45 K1 78.0(5) . 1_655
C44 C45 K1 75.1(5) . 1_655
C46 C45 H45 119.9 . .
C44 C45 H45 119.9 . .
K1 C45 H45 117.8 1_655 .
C47 C46 C45 121.0(9) . .
C47 C46 K1 75.8(5) . 1_655
C45 C46 K1 77.9(5) . 1_655
C47 C46 H46 119.5 . .
C45 C46 H46 119.5 . .
K1 C46 H46 117.5 1_655 .
C46 C47 C48 119.7(9) . .
C46 C47 K1 80.2(5) . 1_655
C48 C47 K1 74.4(5) . 1_655
C46 C47 H47 120.2 . .
C48 C47 H47 120.2 . .
K1 C47 H47 115.9 1_655 .
C49 C48 C47 120.4(9) . .
C49 C48 K1 77.7(5) . 1_655
C47 C48 K1 81.1(5) . 1_655
C49 C48 H48 119.8 . .
C47 C48 H48 119.8 . .
K1 C48 H48 111.7 1_655 .
C48 C49 C44 121.3(9) . .
C48 C49 K1 77.5(6) . 1_655
C44 C49 K1 80.1(5) . 1_655
C48 C49 H49 119.4 . .
C44 C49 H49 119.4 . .
K1 C49 H49 113.3 1_655 .
C55 C50 C51 116.2(9) . .
C55 C50 Si14 119.2(7) . .
C51 C50 Si14 124.5(7) . .
C52 C51 C50 121.6(9) . .
C52 C51 H51 119.2 . .
C50 C51 H51 119.2 . .
C53 C52 C51 120.4(10) . .
C53 C52 H52 119.8 . .
C51 C52 H52 119.8 . .
C54 C53 C52 120.0(10) . .
C54 C53 H53 120.0 . .
C52 C53 H53 120.0 . .
C53 C54 C55 120.3(10) . .
C53 C54 H54 119.8 . .
C55 C54 H54 119.8 . .
C54 C55 C50 121.4(10) . .
C54 C55 H55 119.3 . .
C50 C55 H55 119.3 . .
Si17 Si15 Si16 112.27(13) . .
Si17 Si15 Si18 107.06(12) . .
Si16 Si15 Si18 112.70(12) . .
Si17 Si15 Ge17 106.55(11) . .
Si16 Si15 Ge17 104.34(11) . .
Si18 Si15 Ge17 113.85(12) . .
C57 Si16 C56 107.5(5) . .
C57 Si16 C58 109.0(5) . .
C56 Si16 C58 109.1(4) . .
C57 Si16 Si15 110.8(3) . .
C56 Si16 Si15 109.1(3) . .
C58 Si16 Si15 111.3(3) . .
Si16 C56 H56A 109.5 . .
Si16 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
Si16 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
Si16 C57 H57A 109.5 . .
Si16 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
Si16 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
Si16 C58 H58A 109.5 . .
Si16 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
Si16 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C59 Si17 C61 106.5(5) . .
C59 Si17 C60 110.3(4) . .
C61 Si17 C60 109.8(5) . .
C59 Si17 Si15 111.4(3) . .
C61 Si17 Si15 110.7(3) . .
C60 Si17 Si15 108.1(3) . .
Si17 C59 H59A 109.5 . .
Si17 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
Si17 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
Si17 C60 H60A 109.5 . .
Si17 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
Si17 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
Si17 C61 H61A 109.5 . .
Si17 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
Si17 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C62 Si18 C63 108.1(5) . .
C62 Si18 C64 106.5(5) . .
C63 Si18 C64 108.6(5) . .
C62 Si18 Si15 112.3(3) . .
C63 Si18 Si15 110.9(3) . .
C64 Si18 Si15 110.2(3) . .
Si18 C62 H62A 109.5 . .
Si18 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
Si18 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
Si18 C63 H63A 109.5 . .
Si18 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
Si18 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
Si18 C64 H64A 109.5 . .
Si18 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
Si18 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C68 K1 C69 24.7(2) . .
C68 K1 C48 116.1(3) . 1_455
C69 K1 C48 92.6(3) . 1_455
C68 K1 C49 101.5(3) . 1_455
C69 K1 C49 76.8(3) . 1_455
C48 K1 C49 24.8(2) 1_455 1_455
C68 K1 C67 25.3(2) . .
C69 K1 C67 43.5(2) . .
C48 K1 C67 118.9(2) 1_455 .
C49 K1 C67 114.6(3) 1_455 .
C68 K1 C44 107.0(2) . 1_455
C69 K1 C44 84.8(2) . 1_455
C48 K1 C44 44.1(2) 1_455 1_455
C49 K1 C44 25.2(2) 1_455 1_455
C67 K1 C44 128.1(2) . 1_455
C68 K1 C47 140.6(3) . 1_455
C69 K1 C47 117.0(3) . 1_455
C48 K1 C47 24.5(2) 1_455 1_455
C49 K1 C47 43.2(2) 1_455 1_455
C67 K1 C47 138.9(2) . 1_455
C44 K1 C47 50.7(2) 1_455 1_455
C68 K1 C70 43.3(2) . .
C69 K1 C70 25.0(2) . .
C48 K1 C70 73.5(3) 1_455 .
C49 K1 C70 65.1(2) 1_455 .
C67 K1 C70 49.5(2) . .
C44 K1 C70 82.3(2) 1_455 .
C47 K1 C70 97.7(2) 1_455 .
C68 K1 C45 129.2(3) . 1_455
C69 K1 C45 108.8(2) . 1_455
C48 K1 C45 50.2(2) 1_455 1_455
C49 K1 C45 43.1(2) 1_455 1_455
C67 K1 C45 152.3(2) . 1_455
C44 K1 C45 24.50(19) 1_455 1_455
C47 K1 C45 42.7(2) 1_455 1_455
C70 K1 C45 106.1(2) . 1_455
C68 K1 C46 149.6(3) . 1_455
C69 K1 C46 125.7(2) . 1_455
C48 K1 C46 42.7(2) 1_455 1_455
C49 K1 C46 49.8(2) 1_455 1_455
C67 K1 C46 161.6(2) . 1_455
C44 K1 C46 43.0(2) 1_455 1_455
C47 K1 C46 24.0(2) 1_455 1_455
C70 K1 C46 113.8(2) . 1_455
C45 K1 C46 24.1(2) 1_455 1_455
C68 K1 C66 42.9(2) . .
C69 K1 C66 49.4(2) . .
C48 K1 C66 98.4(2) 1_455 .
C49 K1 C66 101.5(2) 1_455 .
C67 K1 C66 23.7(2) . .
C44 K1 C66 122.6(2) 1_455 .
C47 K1 C66 115.7(2) 1_455 .
C70 K1 C66 41.1(2) . .
C45 K1 C66 144.6(2) 1_455 .
C46 K1 C66 139.4(2) 1_455 .
C68 K1 Ge18 76.75(18) . 1_455
C69 K1 Ge18 85.03(19) . 1_455
C48 K1 Ge18 128.90(18) 1_455 1_455
C49 K1 Ge18 107.78(18) 1_455 1_455
C67 K1 Ge18 93.47(18) . 1_455
C44 K1 Ge18 84.98(16) 1_455 1_455
C47 K1 Ge18 124.05(18) 1_455 1_455
C70 K1 Ge18 109.46(19) . 1_455
C45 K1 Ge18 82.37(16) 1_455 1_455
C46 K1 Ge18 100.71(18) 1_455 1_455
C66 K1 Ge18 116.93(16) . 1_455
C74 K2 C75 25.0(2) . .
C74 K2 C22 119.7(3) . .
C75 K2 C22 96.3(3) . .
C74 K2 C21 144.5(3) . .
C75 K2 C21 120.8(3) . .
C22 K2 C21 24.8(2) . .
C74 K2 C23 104.2(3) . .
C75 K2 C23 79.2(3) . .
C22 K2 C23 24.5(2) . .
C21 K2 C23 43.4(2) . .
C74 K2 C20 151.3(3) . .
C75 K2 C20 127.5(3) . .
C22 K2 C20 43.5(2) . .
C21 K2 C20 24.8(2) . .
C23 K2 C20 50.5(2) . .
C74 K2 C76 43.4(3) . .
C75 K2 C76 25.2(3) . .
C22 K2 C76 76.7(3) . .
C21 K2 C76 101.3(3) . .
C23 K2 C76 66.4(3) . .
C20 K2 C76 116.6(3) . .
C74 K2 C73 24.7(2) . .
C75 K2 C73 43.3(3) . .
C22 K2 C73 120.9(3) . .
C21 K2 C73 141.3(3) . .
C23 K2 C73 115.4(2) . .
C20 K2 C73 164.3(2) . .
C76 K2 C73 49.1(3) . .
C74 K2 C19 129.0(3) . .
C75 K2 C19 108.2(3) . .
C22 K2 C19 49.8(2) . .
C21 K2 C19 42.8(2) . .
C23 K2 C19 42.9(2) . .
C20 K2 C19 24.1(2) . .
C76 K2 C19 105.7(3) . .
C73 K2 C19 151.4(2) . .
C74 K2 C18 108.3(3) . .
C75 K2 C18 85.2(3) . .
C22 K2 C18 43.5(2) . .
C21 K2 C18 50.6(2) . .
C23 K2 C18 24.9(2) . .
C20 K2 C18 43.1(2) . .
C76 K2 C18 81.8(3) . .
C73 K2 C18 127.9(2) . .
C19 K2 C18 24.1(2) . .
C74 K2 Ge13 133.5(2) . .
C75 K2 Ge13 157.7(2) . .
C22 K2 Ge13 100.83(19) . .
C21 K2 Ge13 78.04(17) . .
C23 K2 Ge13 121.22(17) . .
C20 K2 Ge13 74.69(17) . .
C76 K2 Ge13 150.4(3) . .
C73 K2 Ge13 114.73(19) . .
C19 K2 Ge13 93.84(16) . .
C18 K2 Ge13 117.06(16) . .
C74 K2 Ge9 73.45(19) . .
C75 K2 Ge9 78.6(2) . .
C22 K2 Ge9 125.08(19) . .
C21 K2 Ge9 121.59(19) . .
C23 K2 Ge9 104.09(16) . .
C20 K2 Ge9 97.85(18) . .
C76 K2 Ge9 102.8(3) . .
C73 K2 Ge9 92.36(18) . .
C19 K2 Ge9 79.54(17) . .
C18 K2 Ge9 81.70(15) . .
Ge13 K2 Ge9 102.47(6) . .
C70 C65 C66 119.4(9) . .
C70 C65 C71 119.9(9) . .
C66 C65 C71 120.7(10) . .
C70 C65 K1 73.6(5) . .
C66 C65 K1 76.8(5) . .
C71 C65 K1 122.2(6) . .
C67 C66 C65 120.8(9) . .
C67 C66 K1 72.1(5) . .
C65 C66 K1 79.9(5) . .
C67 C66 H66 119.6 . .
C65 C66 H66 119.6 . .
K1 C66 H66 119.3 . .
C66 C67 C68 120.0(9) . .
C66 C67 K1 84.2(6) . .
C68 C67 K1 74.6(5) . .
C66 C67 H67 120.0 . .
C68 C67 H67 120.0 . .
K1 C67 H67 111.6 . .
C69 C68 C67 119.0(9) . .
C69 C68 K1 78.3(5) . .
C67 C68 K1 80.1(5) . .
C69 C68 H68 120.5 . .
C67 C68 H68 120.5 . .
K1 C68 H68 111.7 . .
C68 C69 C70 119.7(10) . .
C68 C69 K1 77.0(5) . .
C70 C69 K1 82.4(5) . .
C68 C69 H69 120.2 . .
C70 C69 H69 120.2 . .
K1 C69 H69 110.8 . .
C65 C70 C69 121.0(9) . .
C65 C70 K1 83.3(6) . .
C69 C70 K1 72.7(5) . .
C65 C70 H70 119.5 . .
C69 C70 H70 119.5 . .
K1 C70 H70 114.9 . .
C65 C71 H71A 109.5 . .
C65 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C65 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C77 C72 C73 119.0(11) . .
C77 C72 C78 122.4(10) . .
C73 C72 C78 118.6(11) . .
C77 C72 K2 78.1(6) . .
C73 C72 K2 71.7(5) . .
C78 C72 K2 122.2(6) . .
C74 C73 C72 119.9(10) . .
C74 C73 K2 70.8(5) . .
C72 C73 K2 84.7(6) . .
C74 C73 H73 120.1 . .
C72 C73 H73 120.1 . .
K2 C73 H73 114.9 . .
C75 C74 C73 120.6(10) . .
C75 C74 K2 78.3(6) . .
C73 C74 K2 84.6(6) . .
C75 C74 H74 119.7 . .
C73 C74 H74 119.7 . .
K2 C74 H74 107.4 . .
C74 C75 C76 118.6(11) . .
C74 C75 K2 76.7(6) . .
C76 C75 K2 83.0(6) . .
C74 C75 H75 120.7 . .
C76 C75 H75 120.7 . .
K2 C75 H75 110.1 . .
C77 C76 C75 120.4(11) . .
C77 C76 K2 85.1(7) . .
C75 C76 K2 71.8(6) . .
C77 C76 H76 119.8 . .
C75 C76 H76 119.8 . .
K2 C76 H76 113.5 . .
C76 C77 C72 121.5(10) . .
C76 C77 K2 72.0(6) . .
C72 C77 K2 79.2(6) . .
C76 C77 H77 119.2 . .
C72 C77 H77 119.2 . .
K2 C77 H77 120.6 . .
C72 C78 H78A 109.5 . .
C72 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C72 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 Si1 2.372(3) .
Ge1 Ge3 2.5009(13) .
Ge1 Ge5 2.5148(15) .
Ge1 Ge2 2.5228(14) .
Ge1 Ge4 2.5394(14) .
Ge2 Ge6 2.5747(13) .
Ge2 Ge9 2.5897(16) .
Ge2 Ge5 2.7811(13) .
Ge3 Ge6 2.5511(15) .
Ge3 Ge7 2.6359(15) .
Ge3 Ge4 2.7584(13) .
Ge3 K1 3.415(2) .
Ge4 Ge8 2.5733(15) .
Ge4 Ge7 2.6772(13) .
Ge5 Ge8 2.5647(13) .
Ge5 Ge9 2.6440(13) .
Ge6 Si5 2.372(2) .
Ge6 Ge9 2.5426(14) .
Ge6 Ge7 2.5454(14) .
Ge7 Ge8 2.5421(13) .
Ge7 K1 3.674(2) .
Ge8 Si6 2.393(2) .
Ge8 Ge9 2.5522(14) .
Ge9 K2 3.432(2) .
Si1 Si2 2.345(3) .
Si1 Si4 2.353(3) .
Si1 Si3 2.356(3) .
Si2 C2 1.849(10) .
Si2 C1 1.866(10) .
Si2 C3 1.873(10) .
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 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
Si3 C5 1.863(10) .
Si3 C4 1.873(9) .
Si3 C6 1.885(10) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
Si4 C7 1.868(10) .
Si4 C8 1.870(10) .
Si4 C9 1.881(11) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
Si5 C10 1.883(9) .
Si5 C12 1.886(9) .
Si5 C18 1.889(9) .
C10 C11 1.289(12) .
C10 H10 0.9500 .
C11 H11A 0.9500 .
C11 H11B 0.9500 .
C12 C17 1.363(11) .
C12 C13 1.392(12) .
C13 C14 1.373(12) .
C13 H13 0.9500 .
C14 C15 1.378(12) .
C14 H14 0.9500 .
C15 C16 1.350(13) .
C15 H15 0.9500 .
C16 C17 1.393(13) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.387(12) .
C18 C23 1.422(11) .
C18 K2 3.327(9) .
C19 C20 1.375(12) .
C19 K2 3.312(9) .
C19 H19 0.9500 .
C20 C21 1.395(13) .
C20 K2 3.279(9) .
C20 H20 0.9500 .
C21 C22 1.377(13) .
C21 K2 3.222(9) .
C21 H21 0.9500 .
C22 C23 1.370(12) .
C22 K2 3.195(9) .
C22 H22 0.9500 .
C23 K2 3.250(9) .
C23 H23 0.9500 .
Si6 Si9 2.339(3) .
Si6 Si8 2.350(3) .
Si6 Si7 2.350(3) .
Si7 C26 1.851(9) .
Si7 C25 1.875(9) .
Si7 C24 1.886(10) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
Si8 C29 1.859(10) .
Si8 C27 1.863(10) .
Si8 C28 1.872(10) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
Si9 C32 1.843(9) .
Si9 C31 1.869(9) .
Si9 C30 1.881(9) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
Ge10 Si10 2.370(3) .
Ge10 Ge13 2.4955(13) .
Ge10 Ge12 2.5178(15) .
Ge10 Ge11 2.5235(14) .
Ge10 Ge14 2.5427(14) .
Ge11 Ge15 2.5782(13) .
Ge11 Ge18 2.5884(15) .
Ge11 Ge12 2.7813(13) .
Ge12 Ge17 2.5586(13) .
Ge12 Ge18 2.6655(13) .
Ge13 Ge15 2.5499(15) .
Ge13 Ge16 2.6244(15) .
Ge13 Ge14 2.7461(13) .
Ge13 K2 3.395(2) .
Ge14 Ge17 2.5669(15) .
Ge14 Ge16 2.6755(14) .
Ge15 Si14 2.374(2) .
Ge15 Ge18 2.5466(14) .
Ge15 Ge16 2.5594(14) .
Ge16 Ge17 2.5455(13) .
Ge16 K2 3.848(2) .
Ge17 Si15 2.395(2) .
Ge17 Ge18 2.5416(14) .
Ge18 K1 3.415(2) 1_655
Si10 Si11 2.342(3) .
Si10 Si12 2.350(3) .
Si10 Si13 2.354(3) .
Si11 C33 1.870(9) .
Si11 C35 1.877(9) .
Si11 C34 1.897(9) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
Si12 C38 1.871(10) .
Si12 C36 1.879(9) .
Si12 C37 1.881(10) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
Si13 C41 1.857(9) .
Si13 C40 1.899(9) .
Si13 C39 1.903(10) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
Si14 C42 1.871(9) .
Si14 C50 1.876(10) .
Si14 C44 1.882(9) .
C42 C43 1.307(13) .
C42 H42 0.9500 .
C43 H43A 0.9500 .
C43 H43B 0.9500 .
C44 C45 1.406(11) .
C44 C49 1.414(12) .
C44 K1 3.275(8) 1_655
C45 C46 1.395(12) .
C45 K1 3.342(9) 1_655
C45 H45 0.9500 .
C46 C47 1.378(12) .
C46 K1 3.343(9) 1_655
C46 H46 0.9500 .
C47 C48 1.381(13) .
C47 K1 3.289(9) 1_655
C47 H47 0.9500 .
C48 C49 1.378(13) .
C48 K1 3.205(10) 1_655
C48 H48 0.9500 .
C49 K1 3.208(9) 1_655
C49 H49 0.9500 .
C50 C55 1.397(12) .
C50 C51 1.398(12) .
C51 C52 1.380(12) .
C51 H51 0.9500 .
C52 C53 1.366(12) .
C52 H52 0.9500 .
C53 C54 1.355(14) .
C53 H53 0.9500 .
C54 C55 1.390(13) .
C54 H54 0.9500 .
C55 H55 0.9500 .
Si15 Si17 2.344(3) .
Si15 Si16 2.344(3) .
Si15 Si18 2.357(3) .
Si16 C57 1.859(9) .
Si16 C56 1.883(10) .
Si16 C58 1.883(9) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
Si17 C59 1.861(9) .
Si17 C61 1.874(10) .
Si17 C60 1.876(9) .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
Si18 C62 1.851(10) .
Si18 C63 1.871(10) .
Si18 C64 1.877(9) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
K1 C68 3.187(9) .
K1 C69 3.202(9) .
K1 C48 3.205(10) 1_455
K1 C49 3.208(9) 1_455
K1 C67 3.257(9) .
K1 C44 3.275(8) 1_455
K1 C47 3.289(9) 1_455
K1 C70 3.325(9) .
K1 C45 3.342(9) 1_455
K1 C46 3.343(9) 1_455
K1 C66 3.405(9) .
K1 Ge18 3.415(2) 1_455
K2 C74 3.129(9) .
K2 C75 3.149(10) .
K2 C76 3.291(11) .
K2 C73 3.300(9) .
C65 C70 1.358(13) .
C65 C66 1.382(12) .
C65 C71 1.503(13) .
C66 C67 1.378(12) .
C66 H66 0.9500 .
C67 C68 1.413(13) .
C67 H67 0.9500 .
C68 C69 1.369(13) .
C68 H68 0.9500 .
C69 C70 1.416(13) .
C69 H69 0.9500 .
C70 H70 0.9500 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 C77 1.360(15) .
C72 C73 1.390(13) .
C72 C78 1.542(15) .
C73 C74 1.384(13) .
C73 H73 0.9500 .
C74 C75 1.357(14) .
C74 H74 0.9500 .
C75 C76 1.409(16) .
C75 H75 0.9500 .
C76 C77 1.343(16) .
C76 H76 0.9500 .
C77 H77 0.9500 .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.500 235 35 ' '
2 0.000 0.000 0.500 228 36 ' '
3 0.006 0.235 0.250 9 1 ' '
4 0.006 0.265 0.750 9 1 ' '
5 0.500 0.500 1.000 236 35 ' '
6 0.000 0.500 1.000 228 36 ' '
7 -0.006 0.735 0.250 9 1 ' '
8 0.994 0.765 0.750 9 1 ' '
