#------------------------------------------------------------------------------
#$Date: 2016-10-07 10:37:42 +0300 (Fri, 07 Oct 2016) $
#$Revision: 187017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/57/4075704.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_4075704
loop_
_publ_author_name
'Fischer, Jelena'
'Baumgartner, Judith'
'Marschner, Christoph'
_publ_section_title
;
 Silylgermylpotassium Compounds
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1263
_journal_paper_doi               10.1021/om0491894
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C40 H88 Ge2 K2 O12 Si4'
_chemical_formula_weight         1096.85
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.50(3)
_cell_angle_beta                 91.99(3)
_cell_angle_gamma                102.03(3)
_cell_formula_units_Z            3
_cell_length_a                   11.906(2)
_cell_length_b                   19.793(4)
_cell_length_c                   20.304(4)
_cell_measurement_temperature    100(2)
_cell_volume                     4218.7(19)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30078
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    1.351
_exptl_absorpt_correction_T_max  0.7374
_exptl_absorpt_correction_T_min  0.5514
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   XPREP
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1746
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.735
_refine_diff_density_min         -1.666
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         14665
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0945P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1399
_refine_ls_wR_factor_ref         0.1506
_reflns_number_gt                11144
_reflns_number_total             14665
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0491894si20041222_090130.cif
_cod_data_source_block           246j
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4219.0(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4075704
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
K1 K 0.86836(11) 0.11222(6) 0.12984(5) 0.0476(3) Uani 1 1 d .
K2 K 0.53893(7) 0.28124(5) 0.51190(5) 0.0256(2) Uani 1 1 d .
K3 K 0.79531(8) 0.64594(6) 0.17273(5) 0.0323(2) Uani 1 1 d .
Ge1 Ge 0.79584(3) 0.22458(2) 0.30136(2) 0.02313(12) Uani 1 1 d .
Ge2 Ge 0.68107(3) 0.16582(2) 0.37837(2) 0.02230(12) Uani 1 1 d .
Ge3 Ge 0.57482(3) 0.56410(2) 0.01589(2) 0.02232(12) Uani 1 1 d .
Si1 Si 0.88459(9) 0.34863(6) 0.39784(6) 0.0242(2) Uani 1 1 d .
Si2 Si 0.64655(10) 0.27084(7) 0.26274(6) 0.0268(3) Uani 1 1 d .
Si3 Si 0.82042(10) 0.10099(7) 0.39683(7) 0.0290(3) Uani 1 1 d .
Si4 Si 0.55786(10) 0.05418(7) 0.28051(6) 0.0286(3) Uani 1 1 d .
Si5 Si 0.43711(9) 0.64162(7) 0.04517(6) 0.0273(3) Uani 1 1 d .
Si6 Si 0.57463(9) 0.56137(7) -0.10433(6) 0.0265(3) Uani 1 1 d .
O1 O 0.9715(3) 0.5842(2) 0.09299(18) 0.0481(9) Uani 1 1 d .
O2 O 0.9547(3) 0.57459(17) 0.22553(18) 0.0395(8) Uani 1 1 d .
O3 O 0.7874(3) 0.63347(18) 0.30934(16) 0.0382(7) Uani 1 1 d .
O4 O 0.7260(3) 0.75805(17) 0.30108(17) 0.0384(7) Uani 1 1 d .
O5 O 0.7609(3) 0.78258(17) 0.17871(17) 0.0395(8) Uani 1 1 d .
O6 O 0.9137(3) 0.7128(2) 0.08584(17) 0.0465(9) Uani 1 1 d .
O7 O 0.7061(7) -0.0074(2) 0.0010(3) 0.175(4) Uani 1 1 d .
O8 O 0.8786(3) -0.05009(17) 0.06315(16) 0.0412(8) Uani 1 1 d .
O9 O 1.0746(4) 0.06598(19) 0.14840(17) 0.0562(10) Uani 1 1 d .
O10 O 1.1032(3) 0.2145(2) 0.18038(19) 0.0498(9) Uani 1 1 d .
O11 O 0.9578(3) 0.25138(18) 0.09715(19) 0.0502(9) Uani 1 1 d .
O12 O 0.7561(3) 0.13821(19) 0.01991(19) 0.0457(8) Uani 1 1 d .
O13 O 0.5059(2) 0.15992(16) 0.55907(15) 0.0307(7) Uani 1 1 d .
O14 O 0.6934(2) 0.28987(17) 0.62464(16) 0.0354(7) Uani 1 1 d .
O15 O 0.6496(3) 0.42560(17) 0.63851(16) 0.0379(7) Uani 1 1 d .
O16 O 0.4795(3) 0.42948(16) 0.54217(15) 0.0327(7) Uani 1 1 d .
O17 O 0.3031(2) 0.29645(17) 0.46775(15) 0.0312(7) Uani 1 1 d .
O18 O 0.3425(2) 0.15755(16) 0.45350(15) 0.0292(6) Uani 1 1 d .
C6 C 1.0540(4) 0.5602(3) 0.1246(3) 0.0585(16) Uani 1 1 d .
H6A H 1.1154 0.6051 0.1580 0.070 Uiso 1 1 calc R
H6B H 1.0906 0.5255 0.0859 0.070 Uiso 1 1 calc R
C7 C 0.9945(5) 0.5203(3) 0.1649(3) 0.0585(17) Uani 1 1 d .
H7A H 0.9279 0.4787 0.1326 0.070 Uiso 1 1 calc R
H7B H 1.0482 0.4975 0.1825 0.070 Uiso 1 1 calc R
C8 C 0.8989(4) 0.5416(3) 0.2679(4) 0.0590(16) Uani 1 1 d .
H8A H 0.9503 0.5163 0.2839 0.071 Uiso 1 1 calc R
H8B H 0.8276 0.5025 0.2389 0.071 Uiso 1 1 calc R
C9 C 0.8689(5) 0.6023(4) 0.3325(3) 0.0601(17) Uani 1 1 d .
H9A H 0.8358 0.5806 0.3656 0.072 Uiso 1 1 calc R
H9B H 0.9397 0.6431 0.3596 0.072 Uiso 1 1 calc R
C10 C 0.7498(6) 0.6882(3) 0.3680(3) 0.0603(16) Uani 1 1 d .
H10A H 0.8169 0.7304 0.3987 0.072 Uiso 1 1 calc R
H10B H 0.7122 0.6645 0.3986 0.072 Uiso 1 1 calc R
C11 C 0.6648(5) 0.7191(3) 0.3387(3) 0.0510(14) Uani 1 1 d .
H11A H 0.6002 0.6768 0.3052 0.061 Uiso 1 1 calc R
H11B H 0.6323 0.7547 0.3793 0.061 Uiso 1 1 calc R
C12 C 0.6609(4) 0.7998(3) 0.2795(3) 0.0470(13) Uani 1 1 d .
H12A H 0.6366 0.8376 0.3229 0.056 Uiso 1 1 calc R
H12B H 0.5905 0.7645 0.2457 0.056 Uiso 1 1 calc R
C13 C 0.7347(4) 0.8395(3) 0.2429(3) 0.0460(13) Uani 1 1 d .
H13A H 0.6932 0.8717 0.2299 0.055 Uiso 1 1 calc R
H13B H 0.8070 0.8729 0.2757 0.055 Uiso 1 1 calc R
C14 C 0.8197(5) 0.8134(3) 0.1343(3) 0.0557(15) Uani 1 1 d .
H14A H 0.8964 0.8471 0.1606 0.067 Uiso 1 1 calc R
H14B H 0.7743 0.8441 0.1219 0.067 Uiso 1 1 calc R
C15 C 0.8343(5) 0.7482(3) 0.0664(3) 0.0534(15) Uani 1 1 d .
H15A H 0.7587 0.7108 0.0438 0.064 Uiso 1 1 calc R
H15B H 0.8644 0.7671 0.0308 0.064 Uiso 1 1 calc R
C16 C 0.9309(4) 0.6497(4) 0.0244(3) 0.0579(16) Uani 1 1 d .
H16A H 0.9568 0.6658 -0.0139 0.069 Uiso 1 1 calc R
H16B H 0.8578 0.6093 0.0038 0.069 Uiso 1 1 calc R
C17 C 1.0210(4) 0.6204(4) 0.0491(3) 0.0630(18) Uani 1 1 d .
H17A H 1.0474 0.5832 0.0064 0.076 Uiso 1 1 calc R
H17B H 1.0886 0.6632 0.0780 0.076 Uiso 1 1 calc R
C18 C 0.6929(6) -0.0803(3) -0.0010(3) 0.080(2) Uani 1 1 d .
H18A H 0.6384 -0.1188 -0.0446 0.096 Uiso 1 1 calc R
H18B H 0.6603 -0.0811 0.0430 0.096 Uiso 1 1 calc R
C19 C 0.8070(5) -0.0995(3) -0.0035(2) 0.0532(15) Uani 1 1 d .
H19A H 0.7968 -0.1534 -0.0114 0.064 Uiso 1 1 calc R
H19B H 0.8434 -0.0935 -0.0445 0.064 Uiso 1 1 calc R
C20 C 0.9939(5) -0.0608(3) 0.0646(3) 0.0577(16) Uani 1 1 d .
H20A H 1.0328 -0.0490 0.0270 0.069 Uiso 1 1 calc R
H20B H 0.9910 -0.1148 0.0537 0.069 Uiso 1 1 calc R
C21 C 1.0599(4) -0.0096(3) 0.1380(3) 0.0499(14) Uani 1 1 d .
H21A H 1.0171 -0.0178 0.1760 0.060 Uiso 1 1 calc R
H21B H 1.1364 -0.0210 0.1416 0.060 Uiso 1 1 calc R
C22 C 1.1486(4) 0.1217(3) 0.2105(3) 0.0442(12) Uani 1 1 d .
H22A H 1.2216 0.1058 0.2130 0.053 Uiso 1 1 calc R
H22B H 1.1122 0.1241 0.2543 0.053 Uiso 1 1 calc R
C23 C 1.1755(9) 0.1949(4) 0.2129(4) 0.147(5) Uani 1 1 d .
H23A H 1.1905 0.2322 0.2650 0.176 Uiso 1 1 calc R
H23B H 1.2494 0.2011 0.1927 0.176 Uiso 1 1 calc R
C24 C 1.1265(6) 0.2873(3) 0.1803(4) 0.0705(19) Uani 1 1 d .
H24A H 1.1672 0.3264 0.2287 0.085 Uiso 1 1 calc R
H24B H 1.1787 0.2880 0.1435 0.085 Uiso 1 1 calc R
C25 C 1.0252(5) 0.3066(3) 0.1644(4) 0.0664(17) Uani 1 1 d .
H25A H 1.0466 0.3568 0.1626 0.080 Uiso 1 1 calc R
H25B H 0.9774 0.3120 0.2044 0.080 Uiso 1 1 calc R
C26 C 0.8555(5) 0.2694(3) 0.0868(3) 0.0622(16) Uani 1 1 d .
H26A H 0.8723 0.3191 0.0840 0.075 Uiso 1 1 calc R
H26B H 0.8134 0.2748 0.1292 0.075 Uiso 1 1 calc R
C27 C 0.7802(4) 0.2094(3) 0.0185(3) 0.0475(13) Uani 1 1 d .
H27A H 0.7067 0.2238 0.0134 0.057 Uiso 1 1 calc R
H27B H 0.8199 0.2064 -0.0243 0.057 Uiso 1 1 calc R
C28 C 0.6639(4) 0.0835(3) -0.0331(2) 0.0371(11) Uani 1 1 d .
H28A H 0.6806 0.0782 -0.0821 0.045 Uiso 1 1 calc R
H28B H 0.5918 0.1013 -0.0239 0.045 Uiso 1 1 calc R
C29 C 0.6472(5) 0.0101(4) -0.0315(4) 0.086(3) Uani 1 1 d .
H29A H 0.5696 0.0002 -0.0164 0.103 Uiso 1 1 calc R
H29B H 0.6407 -0.0275 -0.0830 0.103 Uiso 1 1 calc R
C30 C 0.6188(4) 0.1564(3) 0.5816(3) 0.0412(12) Uani 1 1 d .
H30A H 0.6664 0.1488 0.5413 0.049 Uiso 1 1 calc R
H30B H 0.6128 0.1129 0.5946 0.049 Uiso 1 1 calc R
C31 C 0.6736(4) 0.2295(3) 0.6460(3) 0.0430(12) Uani 1 1 d .
H31A H 0.6222 0.2394 0.6844 0.052 Uiso 1 1 calc R
H31B H 0.7480 0.2260 0.6661 0.052 Uiso 1 1 calc R
C32 C 0.7528(4) 0.3602(3) 0.6825(2) 0.0424(12) Uani 1 1 d .
H32A H 0.8307 0.3570 0.6978 0.051 Uiso 1 1 calc R
H32B H 0.7094 0.3721 0.7250 0.051 Uiso 1 1 calc R
C33 C 0.7637(4) 0.4212(3) 0.6569(3) 0.0439(12) Uani 1 1 d .
H33A H 0.8078 0.4709 0.6959 0.053 Uiso 1 1 calc R
H33B H 0.8053 0.4088 0.6137 0.053 Uiso 1 1 calc R
C34 C 0.6475(5) 0.4930(3) 0.6308(2) 0.0434(12) Uani 1 1 d .
H34A H 0.6927 0.4955 0.5915 0.052 Uiso 1 1 calc R
H34B H 0.6827 0.5385 0.6769 0.052 Uiso 1 1 calc R
C35 C 0.5252(4) 0.4920(2) 0.6124(2) 0.0399(11) Uani 1 1 d .
H35A H 0.4788 0.4857 0.6499 0.048 Uiso 1 1 calc R
H35B H 0.5212 0.5410 0.6113 0.048 Uiso 1 1 calc R
C36 C 0.3661(4) 0.4311(3) 0.5185(3) 0.0380(11) Uani 1 1 d .
H36A H 0.3704 0.4765 0.5087 0.046 Uiso 1 1 calc R
H36B H 0.3162 0.4345 0.5572 0.046 Uiso 1 1 calc R
C37 C 0.3158(4) 0.3599(3) 0.4508(2) 0.0351(11) Uani 1 1 d .
H37A H 0.2394 0.3618 0.4318 0.042 Uiso 1 1 calc R
H37B H 0.3675 0.3550 0.4128 0.042 Uiso 1 1 calc R
C38 C 0.2487(4) 0.2265(3) 0.4075(2) 0.0367(11) Uani 1 1 d .
H38A H 0.2973 0.2162 0.3675 0.044 Uiso 1 1 calc R
H38B H 0.1727 0.2295 0.3891 0.044 Uiso 1 1 calc R
C39 C 0.2324(4) 0.1639(3) 0.4312(2) 0.0361(11) Uani 1 1 d .
H39A H 0.1859 0.1751 0.4722 0.043 Uiso 1 1 calc R
H39B H 0.1902 0.1150 0.3903 0.043 Uiso 1 1 calc R
C40 C 0.3327(4) 0.0968(2) 0.4748(3) 0.0354(10) Uani 1 1 d .
H40A H 0.2905 0.0478 0.4340 0.043 Uiso 1 1 calc R
H40B H 0.2889 0.1064 0.5170 0.043 Uiso 1 1 calc R
C41 C 0.4519(4) 0.0922(2) 0.4950(3) 0.0379(11) Uani 1 1 d .
H41A H 0.4474 0.0466 0.5045 0.046 Uiso 1 1 calc R
H41B H 0.4980 0.0875 0.4544 0.046 Uiso 1 1 calc R
C42 C 0.9781(4) 0.3485(3) 0.4745(2) 0.0389(11) Uani 1 1 d .
H42A H 1.0203 0.4011 0.5068 0.058 Uiso 1 1 calc R
H42B H 1.0335 0.3175 0.4542 0.058 Uiso 1 1 calc R
H42C H 0.9291 0.3269 0.5023 0.058 Uiso 1 1 calc R
C43 C 0.9875(4) 0.4104(2) 0.3633(2) 0.0353(10) Uani 1 1 d .
H43A H 1.0146 0.4624 0.4024 0.053 Uiso 1 1 calc R
H43B H 0.9468 0.4120 0.3214 0.053 Uiso 1 1 calc R
H43C H 1.0541 0.3884 0.3484 0.053 Uiso 1 1 calc R
C44 C 0.7887(4) 0.4126(2) 0.4503(2) 0.0349(10) Uani 1 1 d .
H44A H 0.7354 0.3861 0.4725 0.052 Uiso 1 1 calc R
H44B H 0.7442 0.4246 0.4167 0.052 Uiso 1 1 calc R
H44C H 0.8372 0.4602 0.4886 0.052 Uiso 1 1 calc R
C45 C 0.6976(4) 0.3632(3) 0.2521(3) 0.0436(12) Uani 1 1 d .
H45A H 0.6311 0.3754 0.2335 0.065 Uiso 1 1 calc R
H45B H 0.7546 0.3567 0.2177 0.065 Uiso 1 1 calc R
H45C H 0.7332 0.4051 0.2997 0.065 Uiso 1 1 calc R
C46 C 0.5260(4) 0.2902(3) 0.3211(3) 0.0363(11) Uani 1 1 d .
H46A H 0.4640 0.2994 0.2953 0.054 Uiso 1 1 calc R
H46B H 0.5564 0.3355 0.3674 0.054 Uiso 1 1 calc R
H46C H 0.4951 0.2459 0.3309 0.054 Uiso 1 1 calc R
C47 C 0.5672(4) 0.2010(3) 0.1689(2) 0.0382(11) Uani 1 1 d .
H47A H 0.5354 0.1511 0.1687 0.057 Uiso 1 1 calc R
H47B H 0.6212 0.1954 0.1327 0.057 Uiso 1 1 calc R
H47C H 0.5039 0.2202 0.1566 0.057 Uiso 1 1 calc R
C48 C 0.7639(4) 0.0204(3) 0.4245(3) 0.0359(10) Uani 1 1 d .
H48A H 0.7046 -0.0200 0.3858 0.054 Uiso 1 1 calc R
H48B H 0.7301 0.0405 0.4699 0.054 Uiso 1 1 calc R
H48C H 0.8280 -0.0008 0.4320 0.054 Uiso 1 1 calc R
C49 C 0.9051(4) 0.0581(3) 0.3182(3) 0.0479(13) Uani 1 1 d .
H49A H 0.9363 0.0964 0.3005 0.072 Uiso 1 1 calc R
H49B H 0.8534 0.0133 0.2785 0.072 Uiso 1 1 calc R
H49C H 0.9690 0.0426 0.3353 0.072 Uiso 1 1 calc R
C50 C 0.9355(4) 0.1672(3) 0.4777(3) 0.0480(13) Uani 1 1 d .
H50A H 0.9788 0.1369 0.4914 0.072 Uiso 1 1 calc R
H50B H 0.8984 0.1960 0.5191 0.072 Uiso 1 1 calc R
H50C H 0.9888 0.2030 0.4644 0.072 Uiso 1 1 calc R
C51 C 0.6133(4) 0.0139(3) 0.1883(3) 0.0505(14) Uani 1 1 d .
H51A H 0.5555 -0.0317 0.1539 0.076 Uiso 1 1 calc R
H51B H 0.6860 0.0000 0.1944 0.076 Uiso 1 1 calc R
H51C H 0.6269 0.0526 0.1694 0.076 Uiso 1 1 calc R
C52 C 0.5036(4) -0.0332(3) 0.2986(3) 0.0505(14) Uani 1 1 d .
H52A H 0.4621 -0.0192 0.3413 0.076 Uiso 1 1 calc R
H52B H 0.5696 -0.0519 0.3079 0.076 Uiso 1 1 calc R
H52C H 0.4511 -0.0735 0.2558 0.076 Uiso 1 1 calc R
C53 C 0.4149(4) 0.0731(3) 0.2583(2) 0.0340(10) Uani 1 1 d .
H53A H 0.3668 0.0269 0.2180 0.051 Uiso 1 1 calc R
H53B H 0.4295 0.1153 0.2439 0.051 Uiso 1 1 calc R
H53C H 0.3744 0.0868 0.3014 0.051 Uiso 1 1 calc R
C54 C 0.4978(4) 0.7472(2) 0.0682(3) 0.0371(11) Uani 1 1 d .
H54A H 0.4374 0.7750 0.0848 0.056 Uiso 1 1 calc R
H54B H 0.5233 0.7520 0.0247 0.056 Uiso 1 1 calc R
H54C H 0.5638 0.7687 0.1071 0.056 Uiso 1 1 calc R
C55 C 0.3746(4) 0.6465(3) 0.1310(2) 0.0403(11) Uani 1 1 d .
H55A H 0.3302 0.6857 0.1466 0.061 Uiso 1 1 calc R
H55B H 0.4377 0.6596 0.1698 0.061 Uiso 1 1 calc R
H55C H 0.3234 0.5967 0.1210 0.061 Uiso 1 1 calc R
C56 C 0.3017(4) 0.6104(3) -0.0232(2) 0.0362(10) Uani 1 1 d .
H56A H 0.2618 0.5575 -0.0345 0.054 Uiso 1 1 calc R
H56B H 0.3237 0.6137 -0.0680 0.054 Uiso 1 1 calc R
H56C H 0.2498 0.6440 -0.0021 0.054 Uiso 1 1 calc R
C57 C 0.5732(4) 0.6544(3) -0.1101(2) 0.0383(11) Uani 1 1 d .
H57A H 0.5836 0.6487 -0.1596 0.057 Uiso 1 1 calc R
H57B H 0.6364 0.6956 -0.0751 0.057 Uiso 1 1 calc R
H57C H 0.4989 0.6672 -0.0984 0.057 Uiso 1 1 calc R
C58 C 0.7122(4) 0.5417(3) -0.1462(2) 0.0368(11) Uani 1 1 d .
H58A H 0.7228 0.4929 -0.1487 0.055 Uiso 1 1 calc R
H58B H 0.7791 0.5831 -0.1159 0.055 Uiso 1 1 calc R
H58C H 0.7052 0.5389 -0.1955 0.055 Uiso 1 1 calc R
C59 C 0.4541(4) 0.4876(3) -0.1770(2) 0.0394(11) Uani 1 1 d .
H59A H 0.3801 0.5010 -0.1656 0.059 Uiso 1 1 calc R
H59B H 0.4509 0.4371 -0.1785 0.059 Uiso 1 1 calc R
H59C H 0.4688 0.4865 -0.2246 0.059 Uiso 1 1 calc R
C90 C 0.0326(7) 0.8632(9) 0.3464(6) 0.173(6) Uani 1 1 d D
H90 H -0.0090 0.8705 0.3869 0.208 Uiso 1 1 calc R
C91 C 0.0269(6) 0.7970(6) 0.3009(6) 0.103(3) Uani 1 1 d D
H91 H -0.0195 0.7568 0.3094 0.124 Uiso 1 1 calc R
C92 C 0.0766(7) 0.7776(4) 0.2443(4) 0.085(3) Uani 1 1 d D
H92 H 0.0681 0.7253 0.2118 0.102 Uiso 1 1 calc R
C93 C 0.1458(7) 0.8373(7) 0.2317(4) 0.111(3) Uani 1 1 d D
H93 H 0.1868 0.8287 0.1908 0.134 Uiso 1 1 calc R
C94 C 0.1477(5) 0.9144(4) 0.2886(4) 0.0739(18) Uani 1 1 d D
H94 H 0.1907 0.9595 0.2867 0.089 Uiso 1 1 calc R
C95 C 0.0869(7) 0.9171(7) 0.3418(7) 0.137(5) Uani 1 1 d D
H95 H 0.0870 0.9660 0.3790 0.164 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
K K 0.2009 0.2494 '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
O12 K1 O9 135.93(11) . .
O12 K1 O10 109.56(10) . .
O9 K1 O10 54.87(10) . .
O12 K1 O8 106.89(10) . .
O9 K1 O8 57.82(10) . .
O10 K1 O8 110.83(11) . .
O12 K1 O7 54.86(11) . .
O9 K1 O7 111.42(15) . .
O10 K1 O7 145.0(2) . .
O8 K1 O7 56.89(12) . .
O12 K1 O11 56.19(9) . .
O9 K1 O11 103.13(11) . .
O10 K1 O11 54.87(9) . .
O8 K1 O11 135.16(10) . .
O7 K1 O11 107.98(14) . .
O12 K1 Ge1 109.59(8) . .
O9 K1 Ge1 110.09(8) . .
O10 K1 Ge1 86.96(9) . .
O8 K1 Ge1 130.55(7) . .
O7 K1 Ge1 126.77(19) . .
O11 K1 Ge1 93.26(8) . .
O18 K2 O14 118.31(9) . .
O18 K2 O13 59.34(8) . .
O14 K2 O13 59.14(9) . .
O18 K2 O15 145.39(9) . .
O14 K2 O15 57.03(9) . .
O13 K2 O15 107.88(9) . .
O18 K2 O16 111.74(9) . .
O14 K2 O16 113.22(9) . .
O13 K2 O16 142.15(8) . .
O15 K2 O16 56.52(9) . .
O18 K2 O17 56.81(8) . .
O14 K2 O17 146.74(9) . .
O13 K2 O17 108.54(9) . .
O15 K2 O17 106.47(9) . .
O16 K2 O17 55.37(9) . .
O18 K2 Ge2 86.66(7) . .
O14 K2 Ge2 91.56(7) . .
O13 K2 Ge2 84.34(6) . .
O15 K2 Ge2 125.97(7) . .
O16 K2 Ge2 133.38(6) . .
O17 K2 Ge2 119.24(6) . .
O5 K3 O1 118.65(11) . .
O5 K3 O6 59.82(11) . .
O1 K3 O6 59.29(11) . .
O5 K3 O3 114.48(10) . .
O1 K3 O3 113.33(10) . .
O6 K3 O3 149.25(9) . .
O5 K3 O4 57.76(9) . .
O1 K3 O4 150.59(10) . .
O6 K3 O4 112.79(10) . .
O3 K3 O4 57.22(9) . .
O5 K3 O2 144.70(9) . .
O1 K3 O2 56.77(10) . .
O6 K3 O2 108.74(10) . .
O3 K3 O2 56.56(10) . .
O4 K3 O2 107.50(10) . .
O5 K3 Ge3 82.72(7) . .
O1 K3 Ge3 95.28(7) . .
O6 K3 Ge3 81.46(7) . .
O3 K3 Ge3 129.10(7) . .
O4 K3 Ge3 112.11(7) . .
O2 K3 Ge3 130.88(7) . .
Si1 Ge1 Si2 92.52(5) . .
Si1 Ge1 Ge2 98.28(4) . .
Si2 Ge1 Ge2 98.75(4) . .
Si1 Ge1 K1 134.23(4) . .
Si2 Ge1 K1 99.65(4) . .
Ge2 Ge1 K1 122.72(3) . .
Si3 Ge2 Si4 95.47(5) . .
Si3 Ge2 Ge1 97.30(4) . .
Si4 Ge2 Ge1 98.73(4) . .
Si3 Ge2 K2 126.59(4) . .
Si4 Ge2 K2 115.68(4) . .
Ge1 Ge2 K2 117.62(3) . .
Si5 Ge3 Si6 91.19(5) . .
Si5 Ge3 Ge3 95.70(4) . 2_665
Si6 Ge3 Ge3 99.55(5) . 2_665
Si5 Ge3 K3 106.85(4) . .
Si6 Ge3 K3 132.54(4) . .
Ge3 Ge3 K3 120.99(4) 2_665 .
C42 Si1 C44 101.4(2) . .
C42 Si1 C43 103.5(2) . .
C44 Si1 C43 104.0(2) . .
C42 Si1 Ge1 115.34(15) . .
C44 Si1 Ge1 119.12(15) . .
C43 Si1 Ge1 111.65(14) . .
C47 Si2 C46 103.7(2) . .
C47 Si2 C45 102.8(2) . .
C46 Si2 C45 103.3(2) . .
C47 Si2 Ge1 111.99(16) . .
C46 Si2 Ge1 117.43(15) . .
C45 Si2 Ge1 115.93(16) . .
C50 Si3 C49 104.8(2) . .
C50 Si3 C48 100.5(2) . .
C49 Si3 C48 104.7(2) . .
C50 Si3 Ge2 111.57(16) . .
C49 Si3 Ge2 117.11(16) . .
C48 Si3 Ge2 116.38(14) . .
C53 Si4 C52 100.3(2) . .
C53 Si4 C51 103.9(2) . .
C52 Si4 C51 103.9(2) . .
C53 Si4 Ge2 111.23(15) . .
C52 Si4 Ge2 117.31(17) . .
C51 Si4 Ge2 117.94(16) . .
C55 Si5 C56 102.4(2) . .
C55 Si5 C54 102.3(2) . .
C56 Si5 C54 104.8(2) . .
C55 Si5 Ge3 111.44(16) . .
C56 Si5 Ge3 118.29(15) . .
C54 Si5 Ge3 115.65(14) . .
C59 Si6 C57 104.5(2) . .
C59 Si6 C58 103.8(2) . .
C57 Si6 C58 100.2(2) . .
C59 Si6 Ge3 116.48(15) . .
C57 Si6 Ge3 116.47(15) . .
C58 Si6 Ge3 113.43(14) . .
C6 O1 C17 112.4(4) . .
C6 O1 K3 120.8(3) . .
C17 O1 K3 115.6(3) . .
C8 O2 C7 112.1(4) . .
C8 O2 K3 109.7(3) . .
C7 O2 K3 110.2(3) . .
C10 O3 C9 112.5(4) . .
C10 O3 K3 119.6(3) . .
C9 O3 K3 120.4(3) . .
C11 O4 C12 113.4(4) . .
C11 O4 K3 108.4(2) . .
C12 O4 K3 109.8(3) . .
C14 O5 C13 112.8(4) . .
C14 O5 K3 118.6(3) . .
C13 O5 K3 122.3(3) . .
C16 O6 C15 111.4(4) . .
C16 O6 K3 104.3(3) . .
C15 O6 K3 104.8(3) . .
C29 O7 C18 126.7(5) . .
C29 O7 K1 119.6(4) . .
C18 O7 K1 111.8(3) . .
C19 O8 C20 113.4(4) . .
C19 O8 K1 117.7(3) . .
C20 O8 K1 113.9(3) . .
C21 O9 C22 116.3(4) . .
C21 O9 K1 116.3(3) . .
C22 O9 K1 110.9(3) . .
C23 O10 C24 122.1(5) . .
C23 O10 K1 116.4(5) . .
C24 O10 K1 120.5(3) . .
C26 O11 C25 111.0(4) . .
C26 O11 K1 100.3(3) . .
C25 O11 K1 102.7(3) . .
C27 O12 C28 114.0(3) . .
C27 O12 K1 122.1(3) . .
C28 O12 K1 123.6(3) . .
C41 O13 C30 110.5(3) . .
C41 O13 K2 104.5(2) . .
C30 O13 K2 106.7(2) . .
C31 O14 C32 112.0(3) . .
C31 O14 K2 118.8(2) . .
C32 O14 K2 122.5(3) . .
C34 O15 C33 113.2(4) . .
C34 O15 K2 115.7(2) . .
C33 O15 K2 107.1(3) . .
C36 O16 C35 110.9(3) . .
C36 O16 K2 120.7(2) . .
C35 O16 K2 117.0(2) . .
C38 O17 C37 112.5(3) . .
C38 O17 K2 106.6(2) . .
C37 O17 K2 110.1(2) . .
C39 O18 C40 111.8(3) . .
C39 O18 K2 123.5(2) . .
C40 O18 K2 119.0(2) . .
O1 C6 C7 108.4(4) . .
O2 C7 C6 108.3(4) . .
O2 C8 C9 108.9(4) . .
O3 C9 C8 109.5(4) . .
O3 C10 C11 109.1(4) . .
O4 C11 C10 107.2(4) . .
O4 C12 C13 108.4(4) . .
O5 C13 C12 107.6(4) . .
O5 C14 C15 107.9(4) . .
O6 C15 C14 108.1(4) . .
O6 C16 C17 107.4(4) . .
O1 C17 C16 108.2(4) . .
O7 C18 C19 109.6(6) . .
O8 C19 C18 108.9(4) . .
O8 C20 C21 109.2(4) . .
O9 C21 C20 108.7(4) . .
O9 C22 C23 114.4(4) . .
O10 C23 C22 119.7(7) . .
C25 C24 O10 112.3(5) . .
C24 C25 O11 113.0(5) . .
O11 C26 C27 111.8(5) . .
O12 C27 C26 111.0(4) . .
O12 C28 C29 111.4(4) . .
O7 C29 C28 127.0(5) . .
O13 C30 C31 108.5(4) . .
O14 C31 C30 109.4(4) . .
O14 C32 C33 108.5(4) . .
O15 C33 C32 107.8(4) . .
O15 C34 C35 108.7(4) . .
O16 C35 C34 108.8(4) . .
O16 C36 C37 109.0(3) . .
O17 C37 C36 108.5(3) . .
O17 C38 C39 108.9(3) . .
O18 C39 C38 109.1(3) . .
O18 C40 C41 108.6(3) . .
O13 C41 C40 108.8(3) . .
C95 C90 C91 123.0(15) . .
C90 C91 C92 126.4(10) . .
C91 C92 C93 116.9(8) . .
C92 C93 C94 113.1(7) . .
C95 C94 C93 116.5(8) . .
C90 C95 C94 124.2(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O12 2.840(3) .
K1 O9 2.858(4) .
K1 O10 2.948(4) .
K1 O8 2.956(3) .
K1 O7 2.964(4) .
K1 O11 3.083(4) .
K1 Ge1 3.5223(17) .
K2 O18 2.808(3) .
K2 O14 2.812(3) .
K2 O13 2.894(3) .
K2 O15 2.935(3) .
K2 O16 2.981(3) .
K2 O17 3.030(3) .
K2 Ge2 3.4968(16) .
K3 O5 2.773(3) .
K3 O1 2.860(3) .
K3 O6 2.860(3) .
K3 O3 2.888(3) .
K3 O4 2.918(3) .
K3 O2 2.996(3) .
K3 Ge3 3.6090(19) .
Ge1 Si1 2.4017(17) .
Ge1 Si2 2.4062(13) .
Ge1 Ge2 2.5805(9) .
Ge2 Si3 2.4049(13) .
Ge2 Si4 2.4057(18) .
Ge3 Si5 2.3991(14) .
Ge3 Si6 2.4190(12) .
Ge3 Ge3 2.5899(13) 2_665
Si1 C42 1.882(4) .
Si1 C44 1.900(4) .
Si1 C43 1.906(4) .
Si2 C47 1.892(4) .
Si2 C46 1.893(4) .
Si2 C45 1.906(5) .
Si3 C50 1.898(5) .
Si3 C49 1.905(5) .
Si3 C48 1.907(4) .
Si4 C53 1.896(4) .
Si4 C52 1.903(5) .
Si4 C51 1.909(5) .
Si5 C55 1.892(5) .
Si5 C56 1.904(4) .
Si5 C54 1.908(5) .
Si6 C59 1.887(4) .
Si6 C57 1.897(5) .
Si6 C58 1.909(4) .
O1 C6 1.416(6) .
O1 C17 1.430(7) .
O2 C8 1.390(6) .
O2 C7 1.432(6) .
O3 C10 1.400(6) .
O3 C9 1.414(6) .
O4 C11 1.415(5) .
O4 C12 1.420(5) .
O5 C14 1.412(6) .
O5 C13 1.422(6) .
O6 C16 1.411(6) .
O6 C15 1.420(6) .
O7 C29 1.143(6) .
O7 C18 1.402(7) .
O8 C19 1.410(6) .
O8 C20 1.433(6) .
O9 C21 1.392(5) .
O9 C22 1.396(6) .
O10 C23 1.281(7) .
O10 C24 1.412(6) .
O11 C26 1.371(6) .
O11 C25 1.423(6) .
O12 C27 1.391(6) .
O12 C28 1.411(5) .
O13 C41 1.427(5) .
O13 C30 1.429(5) .
O14 C31 1.410(5) .
O14 C32 1.412(5) .
O15 C34 1.411(5) .
O15 C33 1.426(6) .
O16 C36 1.429(5) .
O16 C35 1.436(5) .
O17 C38 1.414(5) .
O17 C37 1.414(5) .
O18 C39 1.419(5) .
O18 C40 1.422(5) .
C6 C7 1.463(8) .
C8 C9 1.481(8) .
C10 C11 1.507(8) .
C12 C13 1.479(7) .
C14 C15 1.494(8) .
C16 C17 1.483(8) .
C18 C19 1.483(9) .
C20 C21 1.482(8) .
C22 C23 1.396(8) .
C24 C25 1.404(8) .
C26 C27 1.497(7) .
C28 C29 1.437(7) .
C30 C31 1.485(7) .
C32 C33 1.484(7) .
C34 C35 1.484(7) .
C36 C37 1.490(7) .
C38 C39 1.484(6) .
C40 C41 1.495(6) .
C90 C95 1.168(13) .
C90 C91 1.236(14) .
C91 C92 1.263(12) .
C92 C93 1.415(12) .
C93 C94 1.479(11) .
C94 C95 1.309(13) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O12 K1 Ge1 Si1 -94.09(9) . .
O9 K1 Ge1 Si1 66.33(10) . .
O10 K1 Ge1 Si1 15.61(8) . .
O8 K1 Ge1 Si1 130.65(11) . .
O7 K1 Ge1 Si1 -154.30(12) . .
O11 K1 Ge1 Si1 -38.93(8) . .
O12 K1 Ge1 Si2 9.08(8) . .
O9 K1 Ge1 Si2 169.50(9) . .
O10 K1 Ge1 Si2 118.77(7) . .
O8 K1 Ge1 Si2 -126.19(10) . .
O7 K1 Ge1 Si2 -51.14(12) . .
O11 K1 Ge1 Si2 64.24(8) . .
O12 K1 Ge1 Ge2 116.10(8) . .
O9 K1 Ge1 Ge2 -83.48(9) . .
O10 K1 Ge1 Ge2 -134.20(7) . .
O8 K1 Ge1 Ge2 -19.17(11) . .
O7 K1 Ge1 Ge2 55.88(12) . .
O11 K1 Ge1 Ge2 171.26(6) . .
Si1 Ge1 Ge2 Si3 -95.97(5) . .
Si2 Ge1 Ge2 Si3 170.17(4) . .
K1 Ge1 Ge2 Si3 62.67(5) . .
Si1 Ge1 Ge2 Si4 167.31(4) . .
Si2 Ge1 Ge2 Si4 73.45(5) . .
K1 Ge1 Ge2 Si4 -34.04(4) . .
Si1 Ge1 Ge2 K2 42.20(4) . .
Si2 Ge1 Ge2 K2 -51.66(5) . .
K1 Ge1 Ge2 K2 -159.15(3) . .
O18 K2 Ge2 Si3 -104.43(8) . .
O14 K2 Ge2 Si3 13.84(8) . .
O13 K2 Ge2 Si3 -44.94(8) . .
O15 K2 Ge2 Si3 63.08(9) . .
O16 K2 Ge2 Si3 138.48(9) . .
O17 K2 Ge2 Si3 -153.04(7) . .
O18 K2 Ge2 Si4 14.82(7) . .
O14 K2 Ge2 Si4 133.09(7) . .
O13 K2 Ge2 Si4 74.32(7) . .
O15 K2 Ge2 Si4 -177.67(8) . .
O16 K2 Ge2 Si4 -102.26(10) . .
O17 K2 Ge2 Si4 -33.79(8) . .
O18 K2 Ge2 Ge1 131.03(6) . .
O14 K2 Ge2 Ge1 -110.70(7) . .
O13 K2 Ge2 Ge1 -169.47(6) . .
O15 K2 Ge2 Ge1 -61.46(8) . .
O16 K2 Ge2 Ge1 13.95(9) . .
O17 K2 Ge2 Ge1 82.42(8) . .
O5 K3 Ge3 Si5 -38.02(8) . .
O1 K3 Ge3 Si5 -156.29(8) . .
O6 K3 Ge3 Si5 -98.46(9) . .
O3 K3 Ge3 Si5 77.73(10) . .
O4 K3 Ge3 Si5 12.75(8) . .
O2 K3 Ge3 Si5 154.10(9) . .
O5 K3 Ge3 Si6 69.89(9) . .
O1 K3 Ge3 Si6 -48.38(9) . .
O6 K3 Ge3 Si6 9.45(9) . .
O3 K3 Ge3 Si6 -174.36(9) . .
O4 K3 Ge3 Si6 120.66(8) . .
O2 K3 Ge3 Si6 -97.99(10) . .
O5 K3 Ge3 Ge3 -145.65(7) . 2_665
O1 K3 Ge3 Ge3 96.08(9) . 2_665
O6 K3 Ge3 Ge3 153.90(8) . 2_665
O3 K3 Ge3 Ge3 -29.90(10) . 2_665
O4 K3 Ge3 Ge3 -94.88(8) . 2_665
O2 K3 Ge3 Ge3 46.46(10) . 2_665
Si2 Ge1 Si1 C42 158.08(18) . .
Ge2 Ge1 Si1 C42 58.85(18) . .
K1 Ge1 Si1 C42 -95.84(18) . .
Si2 Ge1 Si1 C44 37.13(17) . .
Ge2 Ge1 Si1 C44 -62.09(17) . .
K1 Ge1 Si1 C44 143.22(16) . .
Si2 Ge1 Si1 C43 -84.12(17) . .
Ge2 Ge1 Si1 C43 176.65(16) . .
K1 Ge1 Si1 C43 21.96(17) . .
Si1 Ge1 Si2 C47 164.97(15) . .
Ge2 Ge1 Si2 C47 -96.25(16) . .
K1 Ge1 Si2 C47 29.27(16) . .
Si1 Ge1 Si2 C46 -75.27(17) . .
Ge2 Ge1 Si2 C46 23.51(16) . .
K1 Ge1 Si2 C46 149.03(16) . .
Si1 Ge1 Si2 C45 47.40(18) . .
Ge2 Ge1 Si2 C45 146.18(18) . .
K1 Ge1 Si2 C45 -88.30(18) . .
Si4 Ge2 Si3 C50 -175.60(18) . .
Ge1 Ge2 Si3 C50 84.84(18) . .
K2 Ge2 Si3 C50 -47.78(18) . .
Si4 Ge2 Si3 C49 63.7(2) . .
Ge1 Ge2 Si3 C49 -35.8(2) . .
K2 Ge2 Si3 C49 -168.47(19) . .
Si4 Ge2 Si3 C48 -61.13(17) . .
Ge1 Ge2 Si3 C48 -160.69(17) . .
K2 Ge2 Si3 C48 66.70(18) . .
Si3 Ge2 Si4 C53 168.91(15) . .
Ge1 Ge2 Si4 C53 -92.82(15) . .
K2 Ge2 Si4 C53 33.64(16) . .
Si3 Ge2 Si4 C52 54.30(19) . .
Ge1 Ge2 Si4 C52 152.57(19) . .
K2 Ge2 Si4 C52 -80.97(19) . .
Si3 Ge2 Si4 C51 -71.2(2) . .
Ge1 Ge2 Si4 C51 27.1(2) . .
K2 Ge2 Si4 C51 153.6(2) . .
Si6 Ge3 Si5 C55 167.35(16) . .
Ge3 Ge3 Si5 C55 67.63(17) 2_665 .
K3 Ge3 Si5 C55 -57.18(17) . .
Si6 Ge3 Si5 C56 49.04(17) . .
Ge3 Ge3 Si5 C56 -50.68(17) 2_665 .
K3 Ge3 Si5 C56 -175.48(16) . .
Si6 Ge3 Si5 C54 -76.39(17) . .
Ge3 Ge3 Si5 C54 -176.11(16) 2_665 .
K3 Ge3 Si5 C54 59.09(17) . .
Si5 Ge3 Si6 C59 -83.16(18) . .
Ge3 Ge3 Si6 C59 12.82(18) 2_665 .
K3 Ge3 Si6 C59 162.46(18) . .
Si5 Ge3 Si6 C57 40.96(17) . .
Ge3 Ge3 Si6 C57 136.94(16) 2_665 .
K3 Ge3 Si6 C57 -73.42(17) . .
Si5 Ge3 Si6 C58 156.49(17) . .
Ge3 Ge3 Si6 C58 -107.53(17) 2_665 .
K3 Ge3 Si6 C58 42.12(18) . .
O5 K3 O1 C6 130.7(3) . .
O6 K3 O1 C6 138.5(4) . .
O3 K3 O1 C6 -7.9(4) . .
O4 K3 O1 C6 56.3(4) . .
O2 K3 O1 C6 -8.2(3) . .
Ge3 K3 O1 C6 -144.7(3) . .
O5 K3 O1 C17 -10.3(3) . .
O6 K3 O1 C17 -2.6(3) . .
O3 K3 O1 C17 -148.9(3) . .
O4 K3 O1 C17 -84.7(4) . .
O2 K3 O1 C17 -149.3(3) . .
Ge3 K3 O1 C17 74.3(3) . .
O5 K3 O2 C8 116.1(3) . .
O1 K3 O2 C8 -150.1(4) . .
O6 K3 O2 C8 -180.0(3) . .
O3 K3 O2 C8 30.3(3) . .
O4 K3 O2 C8 57.6(3) . .
Ge3 K3 O2 C8 -85.0(3) . .
O5 K3 O2 C7 -119.9(3) . .
O1 K3 O2 C7 -26.1(3) . .
O6 K3 O2 C7 -56.0(3) . .
O3 K3 O2 C7 154.3(3) . .
O4 K3 O2 C7 -178.4(3) . .
Ge3 K3 O2 C7 39.0(3) . .
O5 K3 O3 C10 9.9(4) . .
O1 K3 O3 C10 150.3(3) . .
O6 K3 O3 C10 81.5(4) . .
O4 K3 O3 C10 2.0(3) . .
O2 K3 O3 C10 150.6(4) . .
Ge3 K3 O3 C10 -91.1(4) . .
O5 K3 O3 C9 -137.7(3) . .
O1 K3 O3 C9 2.6(4) . .
O6 K3 O3 C9 -66.1(4) . .
O4 K3 O3 C9 -145.6(4) . .
O2 K3 O3 C9 3.0(3) . .
Ge3 K3 O3 C9 121.3(3) . .
O5 K3 O4 C11 153.4(3) . .
O1 K3 O4 C11 -114.6(3) . .
O6 K3 O4 C11 177.9(3) . .
O3 K3 O4 C11 -35.2(3) . .
O2 K3 O4 C11 -62.2(3) . .
Ge3 K3 O4 C11 88.1(3) . .
O5 K3 O4 C12 29.0(3) . .
O1 K3 O4 C12 121.0(3) . .
O6 K3 O4 C12 53.5(3) . .
O3 K3 O4 C12 -159.5(3) . .
O2 K3 O4 C12 173.4(3) . .
Ge3 K3 O4 C12 -36.3(3) . .
O1 K3 O5 C14 8.5(3) . .
O6 K3 O5 C14 0.8(3) . .
O3 K3 O5 C14 146.6(3) . .
O4 K3 O5 C14 154.5(3) . .
O2 K3 O5 C14 80.5(3) . .
Ge3 K3 O5 C14 -83.5(3) . .
O1 K3 O5 C13 -141.7(3) . .
O6 K3 O5 C13 -149.4(3) . .
O3 K3 O5 C13 -3.6(3) . .
O4 K3 O5 C13 4.3(3) . .
O2 K3 O5 C13 -69.7(4) . .
Ge3 K3 O5 C13 126.2(3) . .
O5 K3 O6 C16 -151.3(3) . .
O1 K3 O6 C16 36.6(3) . .
O3 K3 O6 C16 121.0(3) . .
O4 K3 O6 C16 -175.3(3) . .
O2 K3 O6 C16 65.6(3) . .
Ge3 K3 O6 C16 -64.8(3) . .
O5 K3 O6 C15 -34.1(3) . .
O1 K3 O6 C15 153.8(3) . .
O3 K3 O6 C15 -121.8(3) . .
O4 K3 O6 C15 -58.1(3) . .
O2 K3 O6 C15 -177.2(3) . .
Ge3 K3 O6 C15 52.4(3) . .
O12 K1 O7 C29 -16.3(7) . .
O9 K1 O7 C29 -148.2(8) . .
O10 K1 O7 C29 -89.4(9) . .
O8 K1 O7 C29 -168.4(9) . .
O11 K1 O7 C29 -35.7(9) . .
Ge1 K1 O7 C29 72.8(9) . .
O12 K1 O7 C18 178.3(7) . .
O9 K1 O7 C18 46.4(7) . .
O10 K1 O7 C18 105.2(6) . .
O8 K1 O7 C18 26.3(5) . .
O11 K1 O7 C18 159.0(6) . .
Ge1 K1 O7 C18 -92.5(6) . .
O12 K1 O8 C19 -15.4(3) . .
O9 K1 O8 C19 -149.5(3) . .
O10 K1 O8 C19 -134.7(3) . .
O7 K1 O8 C19 8.3(4) . .
O11 K1 O8 C19 -74.1(3) . .
Ge1 K1 O8 C19 120.8(3) . .
O12 K1 O8 C20 121.0(3) . .
O9 K1 O8 C20 -13.1(3) . .
O10 K1 O8 C20 1.6(3) . .
O7 K1 O8 C20 144.6(4) . .
O11 K1 O8 C20 62.3(3) . .
Ge1 K1 O8 C20 -102.9(3) . .
O12 K1 O9 C21 -103.2(3) . .
O10 K1 O9 C21 174.7(4) . .
O8 K1 O9 C21 -22.2(3) . .
O7 K1 O9 C21 -42.1(4) . .
O11 K1 O9 C21 -157.7(3) . .
Ge1 K1 O9 C21 103.8(3) . .
O12 K1 O9 C22 120.8(3) . .
O10 K1 O9 C22 38.8(3) . .
O8 K1 O9 C22 -158.2(3) . .
O7 K1 O9 C22 -178.1(3) . .
O11 K1 O9 C22 66.3(3) . .
Ge1 K1 O9 C22 -32.2(3) . .
O12 K1 O10 C23 -160.1(6) . .
O9 K1 O10 C23 -27.1(6) . .
O8 K1 O10 C23 -42.4(6) . .
O7 K1 O10 C23 -104.0(6) . .
O11 K1 O10 C23 -173.7(6) . .
Ge1 K1 O10 C23 90.2(6) . .
O12 K1 O10 C24 31.1(4) . .
O9 K1 O10 C24 164.1(4) . .
O8 K1 O10 C24 148.8(4) . .
O7 K1 O10 C24 87.2(5) . .
O11 K1 O10 C24 17.5(4) . .
Ge1 K1 O10 C24 -78.7(4) . .
O12 K1 O11 C26 41.3(3) . .
O9 K1 O11 C26 178.4(3) . .
O10 K1 O11 C26 -154.1(4) . .
O8 K1 O11 C26 121.1(3) . .
O7 K1 O11 C26 60.3(4) . .
Ge1 K1 O11 C26 -70.1(3) . .
O12 K1 O11 C25 155.8(4) . .
O9 K1 O11 C25 -67.2(3) . .
O10 K1 O11 C25 -39.6(3) . .
O8 K1 O11 C25 -124.4(3) . .
O7 K1 O11 C25 174.8(4) . .
Ge1 K1 O11 C25 44.4(3) . .
O9 K1 O12 C27 -89.4(4) . .
O10 K1 O12 C27 -30.2(4) . .
O8 K1 O12 C27 -150.3(3) . .
O7 K1 O12 C27 -174.6(4) . .
O11 K1 O12 C27 -16.8(3) . .
Ge1 K1 O12 C27 63.7(4) . .
O9 K1 O12 C28 97.2(3) . .
O10 K1 O12 C28 156.5(3) . .
O8 K1 O12 C28 36.3(3) . .
O7 K1 O12 C28 12.1(4) . .
O11 K1 O12 C28 169.8(4) . .
Ge1 K1 O12 C28 -109.7(3) . .
O18 K2 O13 C41 35.3(2) . .
O14 K2 O13 C41 -149.4(3) . .
O15 K2 O13 C41 179.8(2) . .
O16 K2 O13 C41 121.8(2) . .
O17 K2 O13 C41 64.9(2) . .
Ge2 K2 O13 C41 -54.1(2) . .
O18 K2 O13 C30 152.4(3) . .
O14 K2 O13 C30 -32.3(3) . .
O15 K2 O13 C30 -63.1(3) . .
O16 K2 O13 C30 -121.1(3) . .
O17 K2 O13 C30 -178.1(3) . .
Ge2 K2 O13 C30 62.9(3) . .
O18 K2 O14 C31 4.4(3) . .
O13 K2 O14 C31 -0.2(3) . .
O15 K2 O14 C31 144.3(3) . .
O16 K2 O14 C31 137.9(3) . .
O17 K2 O14 C31 76.1(3) . .
Ge2 K2 O14 C31 -82.7(3) . .
O18 K2 O14 C32 -144.7(3) . .
O13 K2 O14 C32 -149.3(3) . .
O15 K2 O14 C32 -4.8(3) . .
O16 K2 O14 C32 -11.2(3) . .
O17 K2 O14 C32 -72.9(4) . .
Ge2 K2 O14 C32 128.2(3) . .
O18 K2 O15 C34 -103.9(3) . .
O14 K2 O15 C34 163.0(3) . .
O13 K2 O15 C34 -165.4(3) . .
O16 K2 O15 C34 -24.0(3) . .
O17 K2 O15 C34 -49.1(3) . .
Ge2 K2 O15 C34 98.5(3) . .
O18 K2 O15 C33 128.9(3) . .
O14 K2 O15 C33 35.8(2) . .
O13 K2 O15 C33 67.4(3) . .
O16 K2 O15 C33 -151.2(3) . .
O17 K2 O15 C33 -176.3(2) . .
Ge2 K2 O15 C33 -28.7(3) . .
O18 K2 O16 C36 -8.1(3) . .
O14 K2 O16 C36 -144.7(3) . .
O13 K2 O16 C36 -75.7(3) . .
O15 K2 O16 C36 -151.1(3) . .
O17 K2 O16 C36 -0.7(2) . .
Ge2 K2 O16 C36 98.8(3) . .
O18 K2 O16 C35 132.1(3) . .
O14 K2 O16 C35 -4.5(3) . .
O13 K2 O16 C35 64.6(3) . .
O15 K2 O16 C35 -10.9(3) . .
O17 K2 O16 C35 139.6(3) . .
Ge2 K2 O16 C35 -121.0(3) . .
O18 K2 O17 C38 -32.7(2) . .
O14 K2 O17 C38 -124.8(3) . .
O13 K2 O17 C38 -63.1(2) . .
O15 K2 O17 C38 -179.0(2) . .
O16 K2 O17 C38 155.6(3) . .
Ge2 K2 O17 C38 30.8(3) . .
O18 K2 O17 C37 -154.9(3) . .
O14 K2 O17 C37 113.0(3) . .
O13 K2 O17 C37 174.6(2) . .
O15 K2 O17 C37 58.7(3) . .
O16 K2 O17 C37 33.3(2) . .
Ge2 K2 O17 C37 -91.4(2) . .
O14 K2 O18 C39 143.0(3) . .
O13 K2 O18 C39 147.5(3) . .
O15 K2 O18 C39 70.9(3) . .
O16 K2 O18 C39 8.8(3) . .
O17 K2 O18 C39 1.5(3) . .
Ge2 K2 O18 C39 -127.1(3) . .
O14 K2 O18 C40 -8.3(3) . .
O13 K2 O18 C40 -3.7(3) . .
O15 K2 O18 C40 -80.4(3) . .
O16 K2 O18 C40 -142.5(3) . .
O17 K2 O18 C40 -149.8(3) . .
Ge2 K2 O18 C40 81.7(3) . .
C17 O1 C6 C7 -176.9(4) . .
K3 O1 C6 C7 40.9(5) . .
C8 O2 C7 C6 -178.7(4) . .
K3 O2 C7 C6 58.7(4) . .
O1 C6 C7 O2 -66.5(5) . .
C7 O2 C8 C9 175.5(4) . .
K3 O2 C8 C9 -61.7(4) . .
C10 O3 C9 C8 176.4(4) . .
K3 O3 C9 C8 -33.9(5) . .
O2 C8 C9 O3 64.8(5) . .
C9 O3 C10 C11 179.2(4) . .
K3 O3 C10 C11 29.2(5) . .
C12 O4 C11 C10 -171.4(4) . .
K3 O4 C11 C10 66.5(4) . .
O3 C10 C11 O4 -64.6(5) . .
C11 O4 C12 C13 178.4(4) . .
K3 O4 C12 C13 -60.2(4) . .
C14 O5 C13 C12 172.9(4) . .
K3 O5 C13 C12 -35.3(5) . .
O4 C12 C13 O5 63.3(5) . .
C13 O5 C14 C15 -175.7(4) . .
K3 O5 C14 C15 31.4(5) . .
C16 O6 C15 C14 179.3(4) . .
K3 O6 C15 C14 67.1(4) . .
O5 C14 C15 O6 -68.3(5) . .
C15 O6 C16 C17 175.9(4) . .
K3 O6 C16 C17 -71.6(4) . .
C6 O1 C17 C16 -174.8(4) . .
K3 O1 C17 C16 -30.5(5) . .
O6 C16 C17 O1 71.2(5) . .
C29 O7 C18 C19 136.6(10) . .
K1 O7 C18 C19 -59.3(6) . .
C20 O8 C19 C18 -176.4(4) . .
K1 O8 C19 C18 -39.8(5) . .
O7 C18 C19 O8 66.9(6) . .
C19 O8 C20 C21 -176.9(4) . .
K1 O8 C20 C21 44.9(5) . .
C22 O9 C21 C20 -171.5(4) . .
K1 O9 C21 C20 55.0(4) . .
O8 C20 C21 O9 -66.5(5) . .
C21 O9 C22 C23 170.2(7) . .
K1 O9 C22 C23 -53.8(7) . .
C24 O10 C23 C22 -179.2(7) . .
K1 O10 C23 C22 12.1(12) . .
O9 C22 C23 O10 28.1(12) . .
C23 O10 C24 C25 -159.6(8) . .
K1 O10 C24 C25 8.6(7) . .
O10 C24 C25 O11 -55.8(8) . .
C26 O11 C25 C24 175.1(6) . .
K1 O11 C25 C24 68.7(6) . .
C25 O11 C26 C27 -176.5(5) . .
K1 O11 C26 C27 -68.5(5) . .
C28 O12 C27 C26 165.1(4) . .
K1 O12 C27 C26 -8.9(6) . .
O11 C26 C27 O12 58.0(6) . .
C27 O12 C28 C29 176.9(5) . .
K1 O12 C28 C29 -9.2(6) . .
C18 O7 C29 C28 -176.0(8) . .
K1 O7 C29 C28 21.0(14) . .
O12 C28 C29 O7 -8.7(12) . .
C41 O13 C30 C31 177.2(4) . .
K2 O13 C30 C31 64.2(4) . .
C32 O14 C31 C30 -175.9(4) . .
K2 O14 C31 C30 31.9(4) . .
O13 C30 C31 O14 -66.2(5) . .
C31 O14 C32 C33 -176.6(4) . .
K2 O14 C32 C33 -25.6(5) . .
C34 O15 C33 C32 165.2(4) . .
K2 O15 C33 C32 -66.1(4) . .
O14 C32 C33 O15 62.0(5) . .
C33 O15 C34 C35 -179.5(3) . .
K2 O15 C34 C35 56.5(4) . .
C36 O16 C35 C34 -173.7(3) . .
K2 O16 C35 C34 42.3(4) . .
O15 C34 C35 O16 -64.8(5) . .
C35 O16 C36 C37 -172.3(3) . .
K2 O16 C36 C37 -29.9(4) . .
C38 O17 C37 C36 176.1(3) . .
K2 O17 C37 C36 -65.1(3) . .
O16 C36 C37 O17 63.6(4) . .
C37 O17 C38 C39 -176.6(3) . .
K2 O17 C38 C39 62.7(3) . .
C40 O18 C39 C38 -178.2(3) . .
K2 O18 C39 C38 28.7(4) . .
O17 C38 C39 O18 -62.8(4) . .
C39 O18 C40 C41 178.1(3) . .
K2 O18 C40 C41 -27.5(4) . .
C30 O13 C41 C40 178.0(4) . .
K2 O13 C41 C40 -67.6(4) . .
O18 C40 C41 O13 66.2(4) . .
C95 C90 C91 C92 -0.02(5) . .
C90 C91 C92 C93 0.01(4) . .
C91 C92 C93 C94 -0.03(7) . .
C92 C93 C94 C95 0.06(10) . .
C91 C90 C95 C94 0.06(11) . .
C93 C94 C95 C90 -0.08(12) . .
