#------------------------------------------------------------------------------
#$Date: 2016-10-07 10:37:42 +0300 (Fri, 07 Oct 2016) $
#$Revision: 187017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/62/4066269.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_4066269
loop_
_publ_author_name
'Hlina, Johann'
'Baumgartner, Judith'
'Marschner, Christoph'
_publ_section_title
;
 Polygermane Building Blocks†
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5289
_journal_paper_doi               10.1021/om100377n
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C40.66667 H89.33333 Ge6 K2 O12'
_chemical_formula_weight         1284.19
_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                114.57(3)
_cell_angle_beta                 91.94(3)
_cell_angle_gamma                101.78(3)
_cell_formula_units_Z            3
_cell_length_a                   11.989(2)
_cell_length_b                   19.870(4)
_cell_length_c                   20.493(4)
_cell_measurement_reflns_used    1311
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      37.149
_cell_measurement_theta_min      4.633
_cell_volume                     4307.5(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 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'SMART APEX'
_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  0.1528
_diffrn_reflns_av_sigmaI/netI    0.2625
_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            29964
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.10
_exptl_absorpt_coefficient_mu    3.294
_exptl_absorpt_correction_T_max  0.8795
_exptl_absorpt_correction_T_min  0.8526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1978
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.157
_refine_diff_density_min         -1.007
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     779
_refine_ls_number_reflns         14778
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.2210
_refine_ls_R_factor_gt           0.1113
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0594P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1758
_refine_ls_wR_factor_ref         0.2210
_reflns_number_gt                6801
_reflns_number_total             14778
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100377n_si_001.cif
_cod_data_source_block           11_730j
_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        4307.5(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4066269
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 0.9582(3) 0.21710(18) -0.01372(17) 0.0267(8) Uani 1 1 d .
K2 K 0.6302(4) 0.3899(2) 0.37185(19) 0.0426(11) Uani 1 1 d .
K3 K 0.2907(3) 0.14572(19) 0.67475(18) 0.0281(8) Uani 1 1 d .
Ge1 Ge 0.81723(14) 0.32991(9) 0.12027(8) 0.0233(4) Uani 1 1 d .
Ge2 Ge 0.70126(14) 0.27943(9) 0.20080(9) 0.0257(4) Uani 1 1 d .
Ge3 Ge 0.67832(15) 0.40016(10) 0.10575(10) 0.0349(5) Uani 1 1 d .
Ge4 Ge 0.94177(15) 0.44460(10) 0.21905(9) 0.0326(5) Uani 1 1 d .
Ge5 Ge 0.61259(15) 0.15176(9) 0.10351(9) 0.0292(4) Uani 1 1 d .
Ge6 Ge 0.85260(15) 0.23135(10) 0.23938(9) 0.0332(5) Uani 1 1 d .
Ge7 Ge 0.07723(13) 0.06293(9) 0.51867(9) 0.0235(4) Uani 1 1 d .
Ge8 Ge -0.06199(14) 0.14358(10) 0.54898(9) 0.0307(5) Uani 1 1 d .
Ge9 Ge 0.07869(15) 0.06317(10) 0.39805(9) 0.0307(5) Uani 1 1 d .
O1 O 1.1895(9) 0.2015(6) 0.0301(5) 0.036(3) Uani 1 1 d .
O2 O 1.0166(9) 0.0693(6) -0.0437(5) 0.033(3) Uani 1 1 d .
O3 O 0.8467(10) 0.0761(6) -0.1373(5) 0.040(3) Uani 1 1 d .
O4 O 0.7998(9) 0.2116(6) -0.1220(6) 0.036(3) Uani 1 1 d .
O5 O 0.9873(9) 0.3408(6) -0.0558(6) 0.036(3) Uani 1 1 d .
O6 O 1.1507(9) 0.3408(6) 0.0466(5) 0.032(3) Uani 1 1 d .
O7 O 0.5531(12) 0.2496(6) 0.3958(6) 0.058(4) Uani 1 1 d .
O8 O 0.7473(10) 0.3627(7) 0.4774(8) 0.067(4) Uani 1 1 d .
O9 O 0.784(2) 0.5082(8) 0.5006(9) 0.161(11) Uani 1 1 d .
O10 O 0.6151(12) 0.5504(6) 0.4351(6) 0.046(3) Uani 1 1 d .
O11 O 0.4259(12) 0.4348(7) 0.3504(6) 0.055(4) Uani 1 1 d .
O12 O 0.3998(10) 0.2871(7) 0.3209(6) 0.050(3) Uani 1 1 d .
O13 O 0.4489(9) 0.0747(6) 0.7287(7) 0.046(3) Uani 1 1 d .
O14 O 0.2816(10) 0.1344(7) 0.8097(6) 0.044(3) Uani 1 1 d .
O15 O 0.2210(10) 0.2557(6) 0.7995(6) 0.043(3) Uani 1 1 d .
O16 O 0.2569(10) 0.2806(6) 0.6770(6) 0.045(3) Uani 1 1 d .
O17 O 0.4131(10) 0.2116(8) 0.5870(6) 0.052(4) Uani 1 1 d .
O18 O 0.4676(10) 0.0833(7) 0.5968(6) 0.051(3) Uani 1 1 d .
C1 C 0.5971(16) 0.4456(10) 0.1872(10) 0.062(6) Uani 1 1 d .
H1A H 0.5332 0.4616 0.1715 0.093 Uiso 1 1 calc R
H1B H 0.6500 0.4900 0.2256 0.093 Uiso 1 1 calc R
H1C H 0.5672 0.4081 0.2056 0.093 Uiso 1 1 calc R
C2 C 0.5507(12) 0.3355(8) 0.0285(9) 0.039(5) Uani 1 1 d .
H2A H 0.5006 0.3005 0.0435 0.059 Uiso 1 1 calc R
H2B H 0.5812 0.3062 -0.0156 0.059 Uiso 1 1 calc R
H2C H 0.5066 0.3676 0.0188 0.059 Uiso 1 1 calc R
C3 C 0.7298(13) 0.4824(9) 0.0731(9) 0.042(2) Uani 1 1 d .
H3A H 0.7450 0.4595 0.0227 0.062 Uiso 1 1 calc R
H3B H 0.8001 0.5180 0.1040 0.062 Uiso 1 1 calc R
H3C H 0.6693 0.5098 0.0765 0.062 Uiso 1 1 calc R
C4 C 0.8858(14) 0.4896(10) 0.3163(8) 0.054(6) Uani 1 1 d .
H4A H 0.8826 0.4546 0.3389 0.081 Uiso 1 1 calc R
H4B H 0.8089 0.4974 0.3097 0.081 Uiso 1 1 calc R
H4C H 0.9388 0.5385 0.3473 0.081 Uiso 1 1 calc R
C5 C 0.9970(14) 0.5354(8) 0.1990(9) 0.050(5) Uani 1 1 d .
H5A H 1.0235 0.5811 0.2449 0.075 Uiso 1 1 calc R
H5B H 0.9338 0.5419 0.1723 0.075 Uiso 1 1 calc R
H5C H 1.0606 0.5277 0.1700 0.075 Uiso 1 1 calc R
C6 C 1.0907(13) 0.4272(9) 0.2406(9) 0.042(2) Uani 1 1 d .
H6A H 1.1353 0.4222 0.2003 0.062 Uiso 1 1 calc R
H6B H 1.0787 0.3803 0.2473 0.062 Uiso 1 1 calc R
H6C H 1.1327 0.4703 0.2850 0.062 Uiso 1 1 calc R
C7 C 0.5003(13) 0.0862(9) 0.1345(9) 0.042(2) Uani 1 1 d .
H7A H 0.4347 0.1090 0.1491 0.062 Uiso 1 1 calc R
H7B H 0.5373 0.0820 0.1756 0.062 Uiso 1 1 calc R
H7C H 0.4735 0.0354 0.0943 0.062 Uiso 1 1 calc R
C8 C 0.5187(15) 0.1485(9) 0.0201(8) 0.043(5) Uani 1 1 d .
H8A H 0.5008 0.0968 -0.0192 0.065 Uiso 1 1 calc R
H8B H 0.5619 0.1842 0.0031 0.065 Uiso 1 1 calc R
H8C H 0.4470 0.1629 0.0351 0.065 Uiso 1 1 calc R
C9 C 0.7136(13) 0.0838(9) 0.0533(8) 0.038(4) Uani 1 1 d .
H9A H 0.7505 0.0696 0.0875 0.057 Uiso 1 1 calc R
H9B H 0.7726 0.1106 0.0348 0.057 Uiso 1 1 calc R
H9C H 0.6674 0.0378 0.0130 0.057 Uiso 1 1 calc R
C10 C 0.8014(15) 0.1351(10) 0.2498(10) 0.059(6) Uani 1 1 d .
H10A H 0.7865 0.0917 0.2019 0.089 Uiso 1 1 calc R
H10B H 0.7309 0.1358 0.2726 0.089 Uiso 1 1 calc R
H10C H 0.8617 0.1303 0.2799 0.089 Uiso 1 1 calc R
C11 C 0.9756(12) 0.2095(8) 0.1803(9) 0.036(4) Uani 1 1 d .
H11A H 1.0332 0.1959 0.2045 0.053 Uiso 1 1 calc R
H11B H 1.0116 0.2547 0.1736 0.053 Uiso 1 1 calc R
H11C H 0.9440 0.1670 0.1330 0.053 Uiso 1 1 calc R
C12 C 0.9408(13) 0.3041(9) 0.3340(8) 0.042(2) Uani 1 1 d .
H12A H 0.9850 0.2779 0.3525 0.062 Uiso 1 1 calc R
H12B H 0.8877 0.3250 0.3681 0.062 Uiso 1 1 calc R
H12C H 0.9934 0.3457 0.3286 0.062 Uiso 1 1 calc R
C13 C -0.1293(13) 0.1477(9) 0.6375(8) 0.040(3) Uani 1 1 d .
H13A H -0.1844 0.1798 0.6480 0.061 Uiso 1 1 calc R
H13B H -0.0679 0.1691 0.6785 0.061 Uiso 1 1 calc R
H13C H -0.1687 0.0961 0.6297 0.061 Uiso 1 1 calc R
C14 C -0.1993(12) 0.1117(9) 0.4782(9) 0.040(3) Uani 1 1 d .
H14A H -0.2534 0.1431 0.4998 0.061 Uiso 1 1 calc R
H14B H -0.2361 0.0580 0.4644 0.061 Uiso 1 1 calc R
H14C H -0.1769 0.1181 0.4352 0.061 Uiso 1 1 calc R
C15 C -0.0011(12) 0.2534(8) 0.5752(9) 0.033(4) Uani 1 1 d .
H15A H 0.0189 0.2599 0.5319 0.050 Uiso 1 1 calc R
H15B H 0.0675 0.2734 0.6112 0.050 Uiso 1 1 calc R
H15C H -0.0598 0.2812 0.5956 0.050 Uiso 1 1 calc R
C16 C -0.0454(15) -0.0119(9) 0.3209(9) 0.053(6) Uani 1 1 d .
H16A H -0.0262 -0.0146 0.2739 0.080 Uiso 1 1 calc R
H16B H -0.1178 0.0039 0.3300 0.080 Uiso 1 1 calc R
H16C H -0.0536 -0.0621 0.3207 0.080 Uiso 1 1 calc R
C17 C 0.0789(13) 0.1621(9) 0.3924(9) 0.040(3) Uani 1 1 d .
H17A H 0.1027 0.1593 0.3462 0.061 Uiso 1 1 calc R
H17B H 0.1327 0.2041 0.4324 0.061 Uiso 1 1 calc R
H17C H 0.0014 0.1710 0.3957 0.061 Uiso 1 1 calc R
C18 C 0.2192(14) 0.0437(10) 0.3526(9) 0.049(5) Uani 1 1 d .
H18A H 0.2290 -0.0061 0.3469 0.074 Uiso 1 1 calc R
H18B H 0.2862 0.0835 0.3834 0.074 Uiso 1 1 calc R
H18C H 0.2119 0.0442 0.3050 0.074 Uiso 1 1 calc R
C19 C 1.1776(15) 0.1366(10) 0.0457(10) 0.048(5) Uani 1 1 d .
H19A H 1.1271 0.1410 0.0838 0.058 Uiso 1 1 calc R
H19B H 1.2537 0.1340 0.0634 0.058 Uiso 1 1 calc R
C20 C 1.1269(15) 0.0670(10) -0.0217(9) 0.042(5) Uani 1 1 d .
H20A H 1.1760 0.0640 -0.0603 0.050 Uiso 1 1 calc R
H20B H 1.1227 0.0212 -0.0130 0.050 Uiso 1 1 calc R
C21 C 0.9705(18) 0.0105(9) -0.1117(9) 0.053(6) Uani 1 1 d .
H21A H 0.9761 -0.0388 -0.1123 0.063 Uiso 1 1 calc R
H21B H 1.0153 0.0181 -0.1488 0.063 Uiso 1 1 calc R
C22 C 0.8483(18) 0.0081(9) -0.1295(10) 0.057(6) Uani 1 1 d .
H22A H 0.8137 -0.0373 -0.1751 0.068 Uiso 1 1 calc R
H22B H 0.8039 0.0058 -0.0903 0.068 Uiso 1 1 calc R
C23 C 0.7374(17) 0.0807(10) -0.1559(8) 0.054(6) Uani 1 1 d .
H23A H 0.6942 0.0903 -0.1139 0.065 Uiso 1 1 calc R
H23B H 0.6959 0.0316 -0.1959 0.065 Uiso 1 1 calc R
C24 C 0.743(2) 0.1433(12) -0.1790(12) 0.094(4) Uani 1 1 d .
H24A H 0.7847 0.1335 -0.2217 0.113 Uiso 1 1 calc R
H24B H 0.6643 0.1457 -0.1925 0.113 Uiso 1 1 calc R
C25 C 0.821(2) 0.2748(12) -0.1406(12) 0.094(4) Uani 1 1 d .
H25A H 0.7477 0.2803 -0.1589 0.113 Uiso 1 1 calc R
H25B H 0.8714 0.2657 -0.1792 0.113 Uiso 1 1 calc R
C26 C 0.8762(14) 0.3441(10) -0.0768(8) 0.038(5) Uani 1 1 d .
H26A H 0.8813 0.3888 -0.0875 0.046 Uiso 1 1 calc R
H26B H 0.8295 0.3502 -0.0366 0.046 Uiso 1 1 calc R
C27 C 1.0425(13) 0.4079(8) 0.0075(9) 0.036(4) Uani 1 1 d .
H27A H 0.9978 0.4130 0.0483 0.043 Uiso 1 1 calc R
H27B H 1.0470 0.4535 -0.0016 0.043 Uiso 1 1 calc R
C28 C 1.1599(12) 0.4021(9) 0.0259(9) 0.036(4) Uani 1 1 d .
H28A H 1.2023 0.3924 -0.0165 0.043 Uiso 1 1 calc R
H28B H 1.2027 0.4505 0.0662 0.043 Uiso 1 1 calc R
C29 C 1.2598(12) 0.3339(9) 0.0666(8) 0.033(4) Uani 1 1 d .
H29A H 1.3028 0.3827 0.1064 0.040 Uiso 1 1 calc R
H29B H 1.3039 0.3222 0.0249 0.040 Uiso 1 1 calc R
C30 C 1.2459(14) 0.2715(9) 0.0908(9) 0.038(4) Uani 1 1 d .
H30A H 1.3220 0.2680 0.1076 0.046 Uiso 1 1 calc R
H30B H 1.1992 0.2819 0.1312 0.046 Uiso 1 1 calc R
C32 C 0.643(2) 0.2320(12) 0.4112(12) 0.094(4) Uani 1 1 d .
H32A H 0.6818 0.2156 0.3673 0.113 Uiso 1 1 calc R
H32B H 0.6180 0.1870 0.4212 0.113 Uiso 1 1 calc R
C33 C 0.7302(13) 0.2895(9) 0.4724(8) 0.034(4) Uani 1 1 d .
H33A H 0.7058 0.2898 0.5182 0.041 Uiso 1 1 calc R
H33B H 0.8041 0.2742 0.4668 0.041 Uiso 1 1 calc R
C34 C 0.8377(15) 0.4168(9) 0.5303(8) 0.036(4) Uani 1 1 d .
H34A H 0.9101 0.4000 0.5210 0.044 Uiso 1 1 calc R
H34B H 0.8212 0.4214 0.5788 0.044 Uiso 1 1 calc R
C35 C 0.8504(17) 0.4911(12) 0.5284(14) 0.088(9) Uani 1 1 d .
H35A H 0.8656 0.5295 0.5796 0.105 Uiso 1 1 calc R
H35B H 0.9221 0.4994 0.5073 0.105 Uiso 1 1 calc R
C36 C 0.803(2) 0.5832(10) 0.5035(11) 0.089(9) Uani 1 1 d .
H36A H 0.8392 0.5846 0.4613 0.107 Uiso 1 1 calc R
H36B H 0.8538 0.6210 0.5483 0.107 Uiso 1 1 calc R
C37 C 0.688(2) 0.6001(11) 0.5026(11) 0.072(7) Uani 1 1 d .
H37A H 0.6501 0.5942 0.5428 0.086 Uiso 1 1 calc R
H37B H 0.6970 0.6537 0.5104 0.086 Uiso 1 1 calc R
C38 C 0.5024(18) 0.5618(10) 0.4383(11) 0.065(7) Uani 1 1 d .
H38A H 0.5037 0.6158 0.4513 0.079 Uiso 1 1 calc R
H38B H 0.4657 0.5473 0.4747 0.079 Uiso 1 1 calc R
C39 C 0.4377(15) 0.5105(10) 0.3626(11) 0.049(5) Uani 1 1 d .
H39A H 0.3610 0.5209 0.3588 0.059 Uiso 1 1 calc R
H39B H 0.4808 0.5207 0.3260 0.059 Uiso 1 1 calc R
C40 C 0.3535(15) 0.3804(10) 0.2916(10) 0.046(5) Uani 1 1 d .
H40A H 0.3852 0.3808 0.2477 0.055 Uiso 1 1 calc R
H40B H 0.2789 0.3946 0.2922 0.055 Uiso 1 1 calc R
C41 C 0.332(2) 0.3050(12) 0.2850(12) 0.094(4) Uani 1 1 d .
H41A H 0.2544 0.2928 0.2980 0.113 Uiso 1 1 calc R
H41B H 0.3298 0.2708 0.2332 0.113 Uiso 1 1 calc R
C42 C 0.388(2) 0.2163(12) 0.3133(12) 0.094(4) Uani 1 1 d .
H42A H 0.3689 0.1823 0.2608 0.113 Uiso 1 1 calc R
H42B H 0.3205 0.2045 0.3364 0.113 Uiso 1 1 calc R
C43 C 0.4759(15) 0.1954(11) 0.3388(13) 0.077(8) Uani 1 1 d .
H43A H 0.4411 0.1544 0.3527 0.093 Uiso 1 1 calc R
H43B H 0.5193 0.1728 0.2981 0.093 Uiso 1 1 calc R
C44 C 0.3939(16) 0.0436(12) 0.7726(14) 0.076(8) Uani 1 1 d .
H44A H 0.4464 0.0207 0.7907 0.091 Uiso 1 1 calc R
H44B H 0.3247 0.0031 0.7443 0.091 Uiso 1 1 calc R
C45 C 0.3603(18) 0.1056(12) 0.8352(11) 0.065(6) Uani 1 1 d .
H45A H 0.3257 0.0850 0.8683 0.078 Uiso 1 1 calc R
H45B H 0.4292 0.1469 0.8626 0.078 Uiso 1 1 calc R
C46 C 0.2419(17) 0.1896(10) 0.8680(9) 0.059(7) Uani 1 1 d .
H46A H 0.3072 0.2324 0.8985 0.071 Uiso 1 1 calc R
H46B H 0.2043 0.1665 0.8985 0.071 Uiso 1 1 calc R
C47 C 0.1605(17) 0.2170(10) 0.8375(9) 0.055(6) Uani 1 1 d .
H47A H 0.0983 0.1737 0.8039 0.066 Uiso 1 1 calc R
H47B H 0.1256 0.2522 0.8764 0.066 Uiso 1 1 calc R
C48 C 0.1573(14) 0.2988(10) 0.7793(10) 0.049(5) Uani 1 1 d .
H48A H 0.1350 0.3373 0.8226 0.059 Uiso 1 1 calc R
H48B H 0.0867 0.2649 0.7460 0.059 Uiso 1 1 calc R
C49 C 0.2355(16) 0.3370(11) 0.7421(11) 0.059(6) Uani 1 1 d .
H49A H 0.1988 0.3723 0.7314 0.071 Uiso 1 1 calc R
H49B H 0.3088 0.3669 0.7741 0.071 Uiso 1 1 calc R
C50 C 0.3213(15) 0.3142(12) 0.6367(11) 0.067(7) Uani 1 1 d .
H50A H 0.3965 0.3468 0.6649 0.080 Uiso 1 1 calc R
H50B H 0.2789 0.3457 0.6236 0.080 Uiso 1 1 calc R
C51 C 0.3374(17) 0.2477(10) 0.5698(9) 0.054(6) Uani 1 1 d .
H51A H 0.2623 0.2110 0.5473 0.065 Uiso 1 1 calc R
H51B H 0.3676 0.2661 0.5342 0.065 Uiso 1 1 calc R
C52 C 0.4298(16) 0.1462(12) 0.5248(10) 0.065(7) Uani 1 1 d .
H52A H 0.4583 0.1615 0.4870 0.077 Uiso 1 1 calc R
H52B H 0.3566 0.1069 0.5040 0.077 Uiso 1 1 calc R
C53 C 0.5162(17) 0.1159(12) 0.5513(10) 0.071(7) Uani 1 1 d .
H53A H 0.5408 0.0767 0.5096 0.086 Uiso 1 1 calc R
H53B H 0.5847 0.1576 0.5785 0.086 Uiso 1 1 calc R
C54 C 0.5516(16) 0.0604(11) 0.6285(12) 0.072(6) Uani 1 1 d .
H54A H 0.6122 0.1054 0.6612 0.087 Uiso 1 1 calc R
H54B H 0.5879 0.0253 0.5904 0.087 Uiso 1 1 calc R
C55 C 0.4902(15) 0.0213(11) 0.6701(11) 0.072(6) Uani 1 1 d .
H55A H 0.4251 -0.0207 0.6380 0.087 Uiso 1 1 calc R
H55B H 0.5433 -0.0009 0.6886 0.087 Uiso 1 1 calc R
C56 C 0.3644(14) 0.6512(9) 0.2566(9) 0.033(4) Uani 1 1 d .
C57 C 0.4325(13) 0.7151(10) 0.2504(9) 0.040(5) Uani 1 1 d .
H57 H 0.4388 0.7650 0.2873 0.048 Uiso 1 1 calc R
C58 C 0.4898(13) 0.7051(9) 0.1908(8) 0.035(4) Uani 1 1 d .
H58 H 0.5337 0.7483 0.1867 0.042 Uiso 1 1 calc R
C59 C 0.4840(15) 0.6332(10) 0.1374(9) 0.052(6) Uani 1 1 d .
H59 H 0.5235 0.6277 0.0968 0.062 Uiso 1 1 calc R
C60 C 0.4243(15) 0.5713(11) 0.1416(10) 0.054(6) Uani 1 1 d .
H60 H 0.4214 0.5219 0.1049 0.065 Uiso 1 1 calc R
C61 C 0.3648(13) 0.5810(9) 0.2023(9) 0.033(4) Uani 1 1 d .
H61 H 0.3231 0.5367 0.2056 0.039 Uiso 1 1 calc R
C62 C 0.3042(14) 0.6613(10) 0.3202(9) 0.052(5) Uani 1 1 d .
H62A H 0.2415 0.6162 0.3084 0.078 Uiso 1 1 calc R
H62B H 0.2726 0.7064 0.3338 0.078 Uiso 1 1 calc R
H62C H 0.3583 0.6682 0.3606 0.078 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'
Ge Ge 0.1547 1.8001 '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'
O O 0.0106 0.0060 '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
O6 K1 O4 118.8(3) . .
O6 K1 O5 59.4(3) . .
O4 K1 O5 59.5(3) . .
O6 K1 O3 147.2(3) . .
O4 K1 O3 57.6(3) . .
O5 K1 O3 109.0(3) . .
O6 K1 O2 112.3(3) . .
O4 K1 O2 114.6(3) . .
O5 K1 O2 144.4(3) . .
O3 K1 O2 57.2(3) . .
O6 K1 O1 57.2(3) . .
O4 K1 O1 149.0(3) . .
O5 K1 O1 109.5(3) . .
O3 K1 O1 107.5(3) . .
O2 K1 O1 55.5(3) . .
O6 K1 Ge1 85.9(2) . .
O4 K1 Ge1 90.3(2) . .
O5 K1 Ge1 83.4(2) . .
O3 K1 Ge1 125.0(3) . .
O2 K1 Ge1 132.1(2) . .
O1 K1 Ge1 118.4(2) . .
O8 K2 O11 139.0(4) . .
O8 K2 O12 110.4(4) . .
O11 K2 O12 55.3(3) . .
O8 K2 O9 54.9(4) . .
O11 K2 O9 111.4(5) . .
O12 K2 O9 144.1(6) . .
O8 K2 O10 109.1(4) . .
O11 K2 O10 57.2(4) . .
O12 K2 O10 110.6(4) . .
O9 K2 O10 57.7(4) . .
O8 K2 O7 57.0(3) . .
O11 K2 O7 105.8(4) . .
O12 K2 O7 55.4(3) . .
O9 K2 O7 108.8(4) . .
O10 K2 O7 139.2(4) . .
O8 K2 Ge2 108.6(3) . .
O11 K2 Ge2 108.2(3) . .
O12 K2 Ge2 86.2(3) . .
O9 K2 Ge2 128.5(5) . .
O10 K2 Ge2 129.2(2) . .
O7 K2 Ge2 90.3(3) . .
O16 K3 O14 115.5(4) . .
O16 K3 O18 118.0(4) . .
O14 K3 O18 113.1(4) . .
O16 K3 O15 59.1(3) . .
O14 K3 O15 57.0(3) . .
O18 K3 O15 150.6(3) . .
O16 K3 O17 59.5(4) . .
O14 K3 O17 149.0(3) . .
O18 K3 O17 58.9(4) . .
O15 K3 O17 113.5(4) . .
O16 K3 O13 145.1(3) . .
O14 K3 O13 56.4(4) . .
O18 K3 O13 56.6(4) . .
O15 K3 O13 107.3(4) . .
O17 K3 O13 108.2(4) . .
O16 K3 C51 41.4(4) . .
O14 K3 C51 153.3(4) . .
O18 K3 C51 79.7(5) . .
O15 K3 C51 100.0(4) . .
O17 K3 C51 22.5(4) . .
O13 K3 C51 130.7(4) . .
O16 K3 Ge7 82.5(2) . .
O14 K3 Ge7 129.4(2) . .
O18 K3 Ge7 94.8(2) . .
O15 K3 Ge7 112.8(3) . .
O17 K3 Ge7 81.5(2) . .
O13 K3 Ge7 130.4(2) . .
C51 K3 Ge7 69.2(3) . .
Ge3 Ge1 Ge4 93.04(8) . .
Ge3 Ge1 Ge2 94.74(8) . .
Ge4 Ge1 Ge2 97.02(8) . .
Ge3 Ge1 K1 127.17(9) . .
Ge4 Ge1 K1 115.71(9) . .
Ge2 Ge1 K1 121.98(8) . .
Ge6 Ge2 Ge5 91.47(8) . .
Ge6 Ge2 Ge1 96.90(8) . .
Ge5 Ge2 Ge1 96.05(8) . .
Ge6 Ge2 K2 99.10(9) . .
Ge5 Ge2 K2 133.94(10) . .
Ge1 Ge2 K2 126.46(9) . .
C1 Ge3 C2 101.6(8) . .
C1 Ge3 C3 104.4(7) . .
C2 Ge3 C3 98.7(6) . .
C1 Ge3 Ge1 117.4(5) . .
C2 Ge3 Ge1 112.9(5) . .
C3 Ge3 Ge1 118.9(5) . .
C6 Ge4 C5 99.0(6) . .
C6 Ge4 C4 104.5(7) . .
C5 Ge4 C4 103.2(7) . .
C6 Ge4 Ge1 111.6(5) . .
C5 Ge4 Ge1 117.2(5) . .
C4 Ge4 Ge1 119.0(5) . .
C9 Ge5 C7 102.4(7) . .
C9 Ge5 C8 101.2(6) . .
C7 Ge5 C8 101.2(7) . .
C9 Ge5 Ge2 118.8(4) . .
C7 Ge5 Ge2 114.2(5) . .
C8 Ge5 Ge2 116.4(5) . .
C11 Ge6 C12 101.1(7) . .
C11 Ge6 C10 101.5(7) . .
C12 Ge6 C10 104.2(7) . .
C11 Ge6 Ge2 118.4(5) . .
C12 Ge6 Ge2 112.9(5) . .
C10 Ge6 Ge2 116.6(5) . .
Ge8 Ge7 Ge9 90.52(8) . .
Ge8 Ge7 Ge7 94.38(9) . 2_556
Ge9 Ge7 Ge7 97.77(10) . 2_556
Ge8 Ge7 K3 105.47(9) . .
Ge9 Ge7 K3 132.28(9) . .
Ge7 Ge7 K3 124.55(10) 2_556 .
C14 Ge8 C15 105.0(6) . .
C14 Ge8 C13 102.5(6) . .
C15 Ge8 C13 101.5(7) . .
C14 Ge8 Ge7 117.5(5) . .
C15 Ge8 Ge7 116.9(4) . .
C13 Ge8 Ge7 111.4(5) . .
C16 Ge9 C18 102.5(8) . .
C16 Ge9 C17 103.6(7) . .
C18 Ge9 C17 98.2(7) . .
C16 Ge9 Ge7 117.1(5) . .
C18 Ge9 Ge7 115.1(5) . .
C17 Ge9 Ge7 117.6(5) . .
C30 O1 C19 112.6(12) . .
C30 O1 K1 107.9(9) . .
C19 O1 K1 110.5(9) . .
C21 O2 C20 112.0(14) . .
C21 O2 K1 115.1(10) . .
C20 O2 K1 120.9(9) . .
C23 O3 C22 113.4(14) . .
C23 O3 K1 108.3(9) . .
C22 O3 K1 115.3(9) . .
C24 O4 C25 113.4(15) . .
C24 O4 K1 121.8(11) . .
C25 O4 K1 117.2(10) . .
C26 O5 C27 111.2(12) . .
C26 O5 K1 106.6(9) . .
C27 O5 K1 105.8(8) . .
C29 O6 C28 111.3(11) . .
C29 O6 K1 123.3(8) . .
C28 O6 K1 118.7(8) . .
C32 O7 C43 117.4(16) . .
C32 O7 K2 107.0(14) . .
C43 O7 K2 110.1(11) . .
C33 O8 C34 114.7(12) . .
C33 O8 K2 120.2(10) . .
C34 O8 K2 124.3(9) . .
C35 O9 C36 122.0(19) . .
C35 O9 K2 119.0(15) . .
C36 O9 K2 113.5(10) . .
C38 O10 C37 110.8(15) . .
C38 O10 K2 115.4(10) . .
C37 O10 K2 115.9(10) . .
C40 O11 C39 117.5(14) . .
C40 O11 K2 112.0(10) . .
C39 O11 K2 117.2(11) . .
C41 O12 C42 122.7(16) . .
C41 O12 K2 114.9(13) . .
C42 O12 K2 117.6(12) . .
C55 O13 C44 113.3(16) . .
C55 O13 K3 110.6(11) . .
C44 O13 K3 110.1(10) . .
C45 O14 C46 110.9(15) . .
C45 O14 K3 122.2(11) . .
C46 O14 K3 119.6(10) . .
C47 O15 C48 113.8(13) . .
C47 O15 K3 108.6(9) . .
C48 O15 K3 110.9(9) . .
C49 O16 C50 111.0(15) . .
C49 O16 K3 119.2(10) . .
C50 O16 K3 120.0(12) . .
C51 O17 C52 113.0(14) . .
C51 O17 K3 103.8(9) . .
C52 O17 K3 104.0(10) . .
C53 O18 C54 111.0(15) . .
C53 O18 K3 116.8(11) . .
C54 O18 K3 121.8(11) . .
O1 C19 C20 108.4(14) . .
O2 C20 C19 109.4(13) . .
O2 C21 C22 110.9(15) . .
O3 C22 C21 107.0(14) . .
O3 C23 C24 110.8(17) . .
O4 C24 C23 108.6(16) . .
O4 C25 C26 109.3(16) . .
O5 C26 C25 110.2(15) . .
O5 C27 C28 108.7(13) . .
O6 C28 C27 108.8(12) . .
O6 C29 C30 109.4(13) . .
O1 C30 C29 107.7(12) . .
O7 C32 C33 119.4(19) . .
O8 C33 C32 113.7(15) . .
O8 C34 C35 109.7(14) . .
O9 C35 C34 126.0(19) . .
O9 C36 C37 106(2) . .
O10 C37 C36 111.8(17) . .
O10 C38 C39 105.5(15) . .
O11 C39 C38 108.4(15) . .
O11 C40 C41 116.4(16) . .
O12 C41 C40 120.3(19) . .
O12 C42 C43 121.0(19) . .
O7 C43 C42 118.6(19) . .
O13 C44 C45 109.0(15) . .
O14 C45 C44 109.5(16) . .
O14 C46 C47 107.8(14) . .
O15 C47 C46 107.9(15) . .
O15 C48 C49 106.2(13) . .
O16 C49 C48 109.0(15) . .
O16 C50 C51 104.8(15) . .
O17 C51 C50 110.7(14) . .
O17 C51 K3 53.6(7) . .
C50 C51 K3 84.9(9) . .
O17 C52 C53 106.5(15) . .
O18 C53 C52 109.8(16) . .
O18 C54 C55 106.8(16) . .
O13 C55 C54 109.3(17) . .
C61 C56 C57 115.8(16) . .
C61 C56 C62 123.5(16) . .
C57 C56 C62 120.6(15) . .
C58 C57 C56 120.2(16) . .
C59 C58 C57 120.9(17) . .
C60 C59 C58 121.3(19) . .
C59 C60 C61 118.3(19) . .
C56 C61 C60 123.4(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O6 2.803(10) .
K1 O4 2.823(11) .
K1 O5 2.887(11) .
K1 O3 2.897(11) .
K1 O2 2.976(10) .
K1 O1 3.001(11) .
K1 Ge1 3.488(4) .
K2 O8 2.831(13) .
K2 O11 2.851(13) .
K2 O12 2.935(12) .
K2 O9 2.940(13) .
K2 O10 2.949(12) .
K2 O7 2.997(12) .
K2 Ge2 3.521(4) .
K3 O16 2.773(12) .
K3 O14 2.870(11) .
K3 O18 2.870(12) .
K3 O15 2.873(11) .
K3 O17 2.907(11) .
K3 O13 3.010(10) .
K3 C51 3.506(16) .
K3 Ge7 3.583(4) .
Ge1 Ge3 2.464(2) .
Ge1 Ge4 2.468(3) .
Ge1 Ge2 2.574(2) .
Ge2 Ge6 2.463(2) .
Ge2 Ge5 2.468(3) .
Ge3 C1 1.940(16) .
Ge3 C2 1.959(13) .
Ge3 C3 2.006(14) .
Ge4 C6 1.956(15) .
Ge4 C5 2.003(15) .
Ge4 C4 2.018(16) .
Ge5 C9 1.986(14) .
Ge5 C7 1.985(14) .
Ge5 C8 1.986(14) .
Ge6 C11 1.942(14) .
Ge6 C12 1.969(15) .
Ge6 C10 1.987(15) .
Ge7 Ge8 2.465(2) .
Ge7 Ge9 2.475(2) .
Ge7 Ge7 2.587(3) 2_556
Ge8 C14 1.966(15) .
Ge8 C15 1.983(13) .
Ge8 C13 1.988(15) .
Ge9 C16 1.977(15) .
Ge9 C18 1.982(15) .
Ge9 C17 2.016(15) .
O1 C30 1.434(17) .
O1 C19 1.434(17) .
O2 C21 1.394(18) .
O2 C20 1.399(17) .
O3 C23 1.384(19) .
O3 C22 1.428(18) .
O4 C24 1.39(2) .
O4 C25 1.44(2) .
O5 C26 1.408(16) .
O5 C27 1.429(17) .
O6 C29 1.406(16) .
O6 C28 1.435(17) .
O7 C32 1.27(2) .
O7 C43 1.36(2) .
O8 C33 1.386(17) .
O8 C34 1.407(18) .
O9 C35 1.14(2) .
O9 C36 1.44(2) .
O10 C38 1.41(2) .
O10 C37 1.44(2) .
O11 C40 1.356(19) .
O11 C39 1.395(18) .
O12 C41 1.27(2) .
O12 C42 1.33(2) .
O13 C55 1.42(2) .
O13 C44 1.40(2) .
O14 C45 1.39(2) .
O14 C46 1.42(2) .
O15 C47 1.425(18) .
O15 C48 1.425(18) .
O16 C49 1.41(2) .
O16 C50 1.419(18) .
O17 C51 1.38(2) .
O17 C52 1.45(2) .
O18 C53 1.42(2) .
O18 C54 1.43(2) .
C19 C20 1.48(2) .
C21 C22 1.48(2) .
C23 C24 1.49(2) .
C25 C26 1.45(2) .
C27 C28 1.485(19) .
C29 C30 1.499(19) .
C32 C33 1.48(2) .
C34 C35 1.47(2) .
C36 C37 1.49(3) .
C38 C39 1.53(2) .
C40 C41 1.41(2) .
C42 C43 1.37(2) .
C44 C45 1.50(3) .
C46 C47 1.45(2) .
C48 C49 1.51(2) .
C50 C51 1.51(3) .
C52 C53 1.49(3) .
C54 C55 1.49(3) .
C56 C61 1.38(2) .
C56 C57 1.42(2) .
C56 C62 1.47(2) .
C57 C58 1.38(2) .
C58 C59 1.38(2) .
C59 C60 1.33(2) .
C60 C61 1.42(2) .
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
O6 K1 Ge1 Ge3 102.8(2) . .
O4 K1 Ge1 Ge3 -16.0(3) . .
O5 K1 Ge1 Ge3 43.2(2) . .
O3 K1 Ge1 Ge3 -65.5(3) . .
O2 K1 Ge1 Ge3 -140.5(3) . .
O1 K1 Ge1 Ge3 151.8(2) . .
O6 K1 Ge1 Ge4 -13.2(2) . .
O4 K1 Ge1 Ge4 -132.1(2) . .
O5 K1 Ge1 Ge4 -72.9(2) . .
O3 K1 Ge1 Ge4 178.5(3) . .
O2 K1 Ge1 Ge4 103.5(3) . .
O1 K1 Ge1 Ge4 35.8(3) . .
O6 K1 Ge1 Ge2 -130.6(2) . .
O4 K1 Ge1 Ge2 110.5(2) . .
O5 K1 Ge1 Ge2 169.7(2) . .
O3 K1 Ge1 Ge2 61.1(3) . .
O2 K1 Ge1 Ge2 -13.9(3) . .
O1 K1 Ge1 Ge2 -81.6(3) . .
Ge3 Ge1 Ge2 Ge6 -168.57(8) . .
Ge4 Ge1 Ge2 Ge6 -74.91(9) . .
K1 Ge1 Ge2 Ge6 51.40(11) . .
Ge3 Ge1 Ge2 Ge5 99.20(9) . .
Ge4 Ge1 Ge2 Ge5 -167.14(8) . .
K1 Ge1 Ge2 Ge5 -40.82(11) . .
Ge3 Ge1 Ge2 K2 -61.85(13) . .
Ge4 Ge1 Ge2 K2 31.81(13) . .
K1 Ge1 Ge2 K2 158.12(11) . .
O8 K2 Ge2 Ge6 -7.7(3) . .
O11 K2 Ge2 Ge6 -169.5(3) . .
O12 K2 Ge2 Ge6 -118.0(2) . .
O9 K2 Ge2 Ge6 51.8(4) . .
O10 K2 Ge2 Ge6 128.3(4) . .
O7 K2 Ge2 Ge6 -62.7(3) . .
O8 K2 Ge2 Ge5 93.2(3) . .
O11 K2 Ge2 Ge5 -68.5(3) . .
O12 K2 Ge2 Ge5 -17.0(3) . .
O9 K2 Ge2 Ge5 152.8(4) . .
O10 K2 Ge2 Ge5 -130.7(4) . .
O7 K2 Ge2 Ge5 38.2(3) . .
O8 K2 Ge2 Ge1 -113.4(3) . .
O11 K2 Ge2 Ge1 84.8(3) . .
O12 K2 Ge2 Ge1 136.3(2) . .
O9 K2 Ge2 Ge1 -53.8(4) . .
O10 K2 Ge2 Ge1 22.7(4) . .
O7 K2 Ge2 Ge1 -168.4(3) . .
Ge4 Ge1 Ge3 C1 -63.1(6) . .
Ge2 Ge1 Ge3 C1 34.2(6) . .
K1 Ge1 Ge3 C1 171.0(6) . .
Ge4 Ge1 Ge3 C2 179.1(5) . .
Ge2 Ge1 Ge3 C2 -83.6(5) . .
K1 Ge1 Ge3 C2 53.3(5) . .
Ge4 Ge1 Ge3 C3 64.2(5) . .
Ge2 Ge1 Ge3 C3 161.5(5) . .
K1 Ge1 Ge3 C3 -61.6(5) . .
Ge3 Ge1 Ge4 C6 -167.8(5) . .
Ge2 Ge1 Ge4 C6 97.1(5) . .
K1 Ge1 Ge4 C6 -33.6(5) . .
Ge3 Ge1 Ge4 C5 -54.8(6) . .
Ge2 Ge1 Ge4 C5 -149.9(6) . .
K1 Ge1 Ge4 C5 79.4(6) . .
Ge3 Ge1 Ge4 C4 70.4(6) . .
Ge2 Ge1 Ge4 C4 -24.7(6) . .
K1 Ge1 Ge4 C4 -155.4(6) . .
Ge6 Ge2 Ge5 C9 -34.4(5) . .
Ge1 Ge2 Ge5 C9 62.7(5) . .
K2 Ge2 Ge5 C9 -138.5(5) . .
Ge6 Ge2 Ge5 C7 86.8(5) . .
Ge1 Ge2 Ge5 C7 -176.1(5) . .
K2 Ge2 Ge5 C7 -17.4(5) . .
Ge6 Ge2 Ge5 C8 -155.8(6) . .
Ge1 Ge2 Ge5 C8 -58.7(6) . .
K2 Ge2 Ge5 C8 100.1(6) . .
Ge5 Ge2 Ge6 C11 75.0(5) . .
Ge1 Ge2 Ge6 C11 -21.3(5) . .
K2 Ge2 Ge6 C11 -150.0(5) . .
Ge5 Ge2 Ge6 C12 -167.3(5) . .
Ge1 Ge2 Ge6 C12 96.5(5) . .
K2 Ge2 Ge6 C12 -32.3(5) . .
Ge5 Ge2 Ge6 C10 -46.7(6) . .
Ge1 Ge2 Ge6 C10 -142.9(6) . .
K2 Ge2 Ge6 C10 88.3(6) . .
O16 K3 Ge7 Ge8 -38.7(3) . .
O14 K3 Ge7 Ge8 78.3(4) . .
O18 K3 Ge7 Ge8 -156.4(3) . .
O15 K3 Ge7 Ge8 13.1(3) . .
O17 K3 Ge7 Ge8 -98.9(3) . .
O13 K3 Ge7 Ge8 154.3(3) . .
C51 K3 Ge7 Ge8 -79.3(4) . .
O16 K3 Ge7 Ge9 66.6(3) . .
O14 K3 Ge7 Ge9 -176.4(3) . .
O18 K3 Ge7 Ge9 -51.1(3) . .
O15 K3 Ge7 Ge9 118.4(3) . .
O17 K3 Ge7 Ge9 6.4(3) . .
O13 K3 Ge7 Ge9 -100.3(4) . .
C51 K3 Ge7 Ge9 26.0(4) . .
O16 K3 Ge7 Ge7 -145.4(3) . 2_556
O14 K3 Ge7 Ge7 -28.4(4) . 2_556
O18 K3 Ge7 Ge7 96.9(3) . 2_556
O15 K3 Ge7 Ge7 -93.6(3) . 2_556
O17 K3 Ge7 Ge7 154.4(3) . 2_556
O13 K3 Ge7 Ge7 47.7(4) . 2_556
C51 K3 Ge7 Ge7 174.0(4) . 2_556
Ge9 Ge7 Ge8 C14 49.7(5) . .
Ge7 Ge7 Ge8 C14 -48.2(5) 2_556 .
K3 Ge7 Ge8 C14 -175.9(5) . .
Ge9 Ge7 Ge8 C15 -76.7(5) . .
Ge7 Ge7 Ge8 C15 -174.5(5) 2_556 .
K3 Ge7 Ge8 C15 57.8(5) . .
Ge9 Ge7 Ge8 C13 167.4(5) . .
Ge7 Ge7 Ge8 C13 69.5(5) 2_556 .
K3 Ge7 Ge8 C13 -58.2(5) . .
Ge8 Ge7 Ge9 C16 -83.5(6) . .
Ge7 Ge7 Ge9 C16 11.0(6) 2_556 .
K3 Ge7 Ge9 C16 164.8(6) . .
Ge8 Ge7 Ge9 C18 156.0(6) . .
Ge7 Ge7 Ge9 C18 -109.6(6) 2_556 .
K3 Ge7 Ge9 C18 44.3(6) . .
Ge8 Ge7 Ge9 C17 41.0(5) . .
Ge7 Ge7 Ge9 C17 135.4(5) 2_556 .
K3 Ge7 Ge9 C17 -70.7(5) . .
O6 K1 O1 C30 31.6(8) . .
O4 K1 O1 C30 123.9(9) . .
O5 K1 O1 C30 61.1(9) . .
O3 K1 O1 C30 179.4(8) . .
O2 K1 O1 C30 -155.6(9) . .
Ge1 K1 O1 C30 -32.0(9) . .
O6 K1 O1 C19 155.1(11) . .
O4 K1 O1 C19 -112.6(11) . .
O5 K1 O1 C19 -175.4(10) . .
O3 K1 O1 C19 -57.1(10) . .
O2 K1 O1 C19 -32.1(10) . .
Ge1 K1 O1 C19 91.5(10) . .
O6 K1 O2 C21 -133.6(10) . .
O4 K1 O2 C21 6.0(11) . .
O5 K1 O2 C21 -65.3(12) . .
O3 K1 O2 C21 11.2(10) . .
O1 K1 O2 C21 -140.1(11) . .
Ge1 K1 O2 C21 120.9(10) . .
O6 K1 O2 C20 6.2(11) . .
O4 K1 O2 C20 145.7(10) . .
O5 K1 O2 C20 74.4(12) . .
O3 K1 O2 C20 150.9(11) . .
O1 K1 O2 C20 -0.3(9) . .
Ge1 K1 O2 C20 -99.4(10) . .
O6 K1 O3 C23 -127.2(10) . .
O4 K1 O3 C23 -33.3(9) . .
O5 K1 O3 C23 -64.5(10) . .
O2 K1 O3 C23 152.4(11) . .
O1 K1 O3 C23 176.9(10) . .
Ge1 K1 O3 C23 30.9(11) . .
O6 K1 O3 C22 104.6(12) . .
O4 K1 O3 C22 -161.5(13) . .
O5 K1 O3 C22 167.3(11) . .
O2 K1 O3 C22 24.1(11) . .
O1 K1 O3 C22 48.7(12) . .
Ge1 K1 O3 C22 -97.4(12) . .
O6 K1 O4 C24 145.0(15) . .
O5 K1 O4 C24 148.4(16) . .
O3 K1 O4 C24 3.1(15) . .
O2 K1 O4 C24 8.3(16) . .
O1 K1 O4 C24 71.6(17) . .
Ge1 K1 O4 C24 -129.4(15) . .
O6 K1 O4 C25 -2.5(14) . .
O5 K1 O4 C25 0.9(13) . .
O3 K1 O4 C25 -144.5(14) . .
O2 K1 O4 C25 -139.3(13) . .
O1 K1 O4 C25 -75.9(15) . .
Ge1 K1 O4 C25 83.0(14) . .
O6 K1 O5 C26 -152.3(9) . .
O4 K1 O5 C26 31.1(8) . .
O3 K1 O5 C26 61.6(9) . .
O2 K1 O5 C26 121.5(9) . .
O1 K1 O5 C26 179.0(8) . .
Ge1 K1 O5 C26 -63.1(8) . .
O6 K1 O5 C27 -33.9(9) . .
O4 K1 O5 C27 149.5(10) . .
O3 K1 O5 C27 -180.0(9) . .
O2 K1 O5 C27 -120.1(9) . .
O1 K1 O5 C27 -62.6(9) . .
Ge1 K1 O5 C27 55.3(9) . .
O4 K1 O6 C29 -143.4(10) . .
O5 K1 O6 C29 -146.7(11) . .
O3 K1 O6 C29 -69.4(12) . .
O2 K1 O6 C29 -5.7(11) . .
O1 K1 O6 C29 0.7(10) . .
Ge1 K1 O6 C29 128.5(10) . .
O4 K1 O6 C28 5.3(11) . .
O5 K1 O6 C28 1.9(9) . .
O3 K1 O6 C28 79.3(12) . .
O2 K1 O6 C28 143.0(9) . .
O1 K1 O6 C28 149.4(11) . .
Ge1 K1 O6 C28 -82.8(9) . .
O8 K2 O7 C32 -36.1(13) . .
O11 K2 O7 C32 -174.9(13) . .
O12 K2 O7 C32 161.3(14) . .
O9 K2 O7 C32 -55.1(14) . .
O10 K2 O7 C32 -117.1(13) . .
Ge2 K2 O7 C32 76.1(13) . .
O8 K2 O7 C43 -164.7(14) . .
O11 K2 O7 C43 56.5(13) . .
O12 K2 O7 C43 32.7(12) . .
O9 K2 O7 C43 176.3(13) . .
O10 K2 O7 C43 114.3(12) . .
Ge2 K2 O7 C43 -52.5(12) . .
O11 K2 O8 C33 94.6(13) . .
O12 K2 O8 C33 34.5(13) . .
O9 K2 O8 C33 177.1(15) . .
O10 K2 O8 C33 156.2(11) . .
O7 K2 O8 C33 19.2(11) . .
Ge2 K2 O8 C33 -58.5(12) . .
O11 K2 O8 C34 -95.9(13) . .
O12 K2 O8 C34 -156.0(12) . .
O9 K2 O8 C34 -13.4(13) . .
O10 K2 O8 C34 -34.3(14) . .
O7 K2 O8 C34 -171.3(14) . .
Ge2 K2 O8 C34 111.0(12) . .
O8 K2 O9 C35 21(2) . .
O11 K2 O9 C35 157(2) . .
O12 K2 O9 C35 97(3) . .
O10 K2 O9 C35 178(3) . .
O7 K2 O9 C35 41(3) . .
Ge2 K2 O9 C35 -65(3) . .
O8 K2 O9 C36 176(2) . .
O11 K2 O9 C36 -49(2) . .
O12 K2 O9 C36 -108.4(19) . .
O10 K2 O9 C36 -27.8(17) . .
O7 K2 O9 C36 -164.8(18) . .
Ge2 K2 O9 C36 89.1(19) . .
O8 K2 O10 C38 -118.3(11) . .
O11 K2 O10 C38 18.4(11) . .
O12 K2 O10 C38 3.3(12) . .
O9 K2 O10 C38 -138.5(13) . .
O7 K2 O10 C38 -57.1(13) . .
Ge2 K2 O10 C38 105.8(11) . .
O8 K2 O10 C37 13.6(12) . .
O11 K2 O10 C37 150.3(12) . .
O12 K2 O10 C37 135.2(11) . .
O9 K2 O10 C37 -6.6(12) . .
O7 K2 O10 C37 74.8(13) . .
Ge2 K2 O10 C37 -122.3(11) . .
O8 K2 O11 C40 -118.8(10) . .
O12 K2 O11 C40 -37.4(10) . .
O9 K2 O11 C40 -179.4(11) . .
O10 K2 O11 C40 159.8(11) . .
O7 K2 O11 C40 -61.3(11) . .
Ge2 K2 O11 C40 34.4(11) . .
O8 K2 O11 C39 101.1(12) . .
O12 K2 O11 C39 -177.6(12) . .
O9 K2 O11 C39 40.5(12) . .
O10 K2 O11 C39 19.7(11) . .
O7 K2 O11 C39 158.6(11) . .
Ge2 K2 O11 C39 -105.7(11) . .
O8 K2 O12 C41 166.2(15) . .
O11 K2 O12 C41 29.9(14) . .
O9 K2 O12 C41 108.3(16) . .
O10 K2 O12 C41 45.3(15) . .
O7 K2 O12 C41 -178.3(16) . .
Ge2 K2 O12 C41 -85.3(15) . .
O8 K2 O12 C42 -37.6(16) . .
O11 K2 O12 C42 -173.9(16) . .
O9 K2 O12 C42 -95.5(16) . .
O10 K2 O12 C42 -158.5(15) . .
O7 K2 O12 C42 -22.1(14) . .
Ge2 K2 O12 C42 70.9(15) . .
O16 K3 O13 C55 -117.8(12) . .
O14 K3 O13 C55 155.0(12) . .
O18 K3 O13 C55 -25.5(11) . .
O15 K3 O13 C55 -178.1(11) . .
O17 K3 O13 C55 -55.2(12) . .
C51 K3 O13 C55 -57.6(12) . .
Ge7 K3 O13 C55 39.2(12) . .
O16 K3 O13 C44 116.2(13) . .
O14 K3 O13 C44 29.0(12) . .
O18 K3 O13 C44 -151.5(13) . .
O15 K3 O13 C44 55.9(13) . .
O17 K3 O13 C44 178.7(12) . .
C51 K3 O13 C44 176.4(12) . .
Ge7 K3 O13 C44 -86.9(13) . .
O16 K3 O14 C45 -136.7(12) . .
O18 K3 O14 C45 3.6(13) . .
O15 K3 O14 C45 -144.8(14) . .
O17 K3 O14 C45 -63.9(15) . .
O13 K3 O14 C45 4.1(12) . .
C51 K3 O14 C45 -110.9(15) . .
Ge7 K3 O14 C45 121.5(12) . .
O16 K3 O14 C46 10.6(12) . .
O18 K3 O14 C46 150.9(10) . .
O15 K3 O14 C46 2.4(10) . .
O17 K3 O14 C46 83.4(13) . .
O13 K3 O14 C46 151.3(12) . .
C51 K3 O14 C46 36.4(16) . .
Ge7 K3 O14 C46 -91.2(11) . .
O16 K3 O15 C47 153.8(12) . .
O14 K3 O15 C47 -34.8(11) . .
O18 K3 O15 C47 -113.1(12) . .
O17 K3 O15 C47 179.0(11) . .
O13 K3 O15 C47 -61.5(11) . .
C51 K3 O15 C47 160.0(11) . .
Ge7 K3 O15 C47 88.5(11) . .
O16 K3 O15 C48 28.1(9) . .
O14 K3 O15 C48 -160.4(11) . .
O18 K3 O15 C48 121.2(11) . .
O17 K3 O15 C48 53.3(10) . .
O13 K3 O15 C48 172.8(9) . .
C51 K3 O15 C48 34.3(10) . .
Ge7 K3 O15 C48 -37.2(10) . .
O14 K3 O16 C49 -0.8(12) . .
O18 K3 O16 C49 -139.1(11) . .
O15 K3 O16 C49 7.2(11) . .
O17 K3 O16 C49 -146.0(12) . .
O13 K3 O16 C49 -68.1(14) . .
C51 K3 O16 C49 -163.6(14) . .
Ge7 K3 O16 C49 129.5(12) . .
O14 K3 O16 C50 142.0(11) . .
O18 K3 O16 C50 3.8(12) . .
O15 K3 O16 C50 150.0(12) . .
O17 K3 O16 C50 -3.1(11) . .
O13 K3 O16 C50 74.8(13) . .
C51 K3 O16 C50 -20.7(11) . .
Ge7 K3 O16 C50 -87.7(11) . .
O16 K3 O17 C51 -31.4(10) . .
O14 K3 O17 C51 -121.0(11) . .
O18 K3 O17 C51 155.7(11) . .
O15 K3 O17 C51 -56.5(11) . .
O13 K3 O17 C51 -175.4(10) . .
Ge7 K3 O17 C51 54.8(10) . .
O16 K3 O17 C52 -149.8(11) . .
O14 K3 O17 C52 120.6(12) . .
O18 K3 O17 C52 37.3(10) . .
O15 K3 O17 C52 -174.8(10) . .
O13 K3 O17 C52 66.2(11) . .
C51 K3 O17 C52 -118.4(15) . .
Ge7 K3 O17 C52 -63.6(10) . .
O16 K3 O18 C53 -11.5(12) . .
O14 K3 O18 C53 -150.7(10) . .
O15 K3 O18 C53 -87.6(13) . .
O17 K3 O18 C53 -4.6(10) . .
O13 K3 O18 C53 -151.2(12) . .
C51 K3 O18 C53 4.7(11) . .
Ge7 K3 O18 C53 72.5(11) . .
O16 K3 O18 C54 130.2(12) . .
O14 K3 O18 C54 -9.0(13) . .
O15 K3 O18 C54 54.2(15) . .
O17 K3 O18 C54 137.2(13) . .
O13 K3 O18 C54 -9.5(11) . .
C51 K3 O18 C54 146.4(12) . .
Ge7 K3 O18 C54 -145.8(12) . .
C30 O1 C19 C20 -175.7(13) . .
K1 O1 C19 C20 63.6(14) . .
C21 O2 C20 C19 172.1(13) . .
K1 O2 C20 C19 31.2(16) . .
O1 C19 C20 O2 -63.3(17) . .
C20 O2 C21 C22 172.6(13) . .
K1 O2 C21 C22 -44.1(15) . .
C23 O3 C22 C21 178.5(13) . .
K1 O3 C22 C21 -55.8(16) . .
O2 C21 C22 O3 66.6(17) . .
C22 O3 C23 C24 -167.5(15) . .
K1 O3 C23 C24 63.1(15) . .
C25 O4 C24 C23 173.7(18) . .
K1 O4 C24 C23 25(2) . .
O3 C23 C24 O4 -60(2) . .
C24 O4 C25 C26 177.6(18) . .
K1 O4 C25 C26 -32(2) . .
C27 O5 C26 C25 -179.2(15) . .
K1 O5 C26 C25 -64.4(15) . .
O4 C25 C26 O5 67(2) . .
C26 O5 C27 C28 -178.5(12) . .
K1 O5 C27 C28 66.1(13) . .
C29 O6 C28 C27 -178.4(12) . .
K1 O6 C28 C27 29.4(15) . .
O5 C27 C28 O6 -65.9(16) . .
C28 O6 C29 C30 177.6(13) . .
K1 O6 C29 C30 -31.7(16) . .
C19 O1 C30 C29 176.6(13) . .
K1 O1 C30 C29 -61.2(13) . .
O6 C29 C30 O1 63.0(16) . .
C43 O7 C32 C33 179.3(19) . .
K2 O7 C32 C33 55(2) . .
C34 O8 C33 C32 -173.9(17) . .
K2 O8 C33 C32 -3(2) . .
O7 C32 C33 O8 -39(3) . .
C33 O8 C34 C35 177.7(16) . .
K2 O8 C34 C35 8(2) . .
C36 O9 C35 C34 178(2) . .
K2 O9 C35 C34 -30(4) . .
O8 C34 C35 O9 16(4) . .
C35 O9 C36 C37 -148(3) . .
K2 O9 C36 C37 59(2) . .
C38 O10 C37 C36 173.5(15) . .
K2 O10 C37 C36 39.5(18) . .
O9 C36 C37 O10 -66(2) . .
C37 O10 C38 C39 176.0(13) . .
K2 O10 C38 C39 -49.7(15) . .
C40 O11 C39 C38 168.6(15) . .
K2 O11 C39 C38 -53.5(16) . .
O10 C38 C39 O11 67.6(17) . .
C39 O11 C40 C41 -172.7(18) . .
K2 O11 C40 C41 47(2) . .
C42 O12 C41 C40 -175(2) . .
K2 O12 C41 C40 -21(3) . .
O11 C40 C41 O12 -18(3) . .
C41 O12 C42 C43 164(2) . .
K2 O12 C42 C43 10(3) . .
C32 O7 C43 C42 -169(2) . .
K2 O7 C43 C42 -47(2) . .
O12 C42 C43 O7 27(4) . .
C55 O13 C44 C45 176.5(15) . .
K3 O13 C44 C45 -59.0(17) . .
C46 O14 C45 C44 175.9(14) . .
K3 O14 C45 C44 -34(2) . .
O13 C44 C45 O14 63(2) . .
C45 O14 C46 C47 -179.9(14) . .
K3 O14 C46 C47 29.4(16) . .
C48 O15 C47 C46 -167.9(14) . .
K3 O15 C47 C46 68.2(15) . .
O14 C46 C47 O15 -64.9(17) . .
C47 O15 C48 C49 178.4(14) . .
K3 O15 C48 C49 -58.9(15) . .
C50 O16 C49 C48 174.5(13) . .
K3 O16 C49 C48 -39.6(17) . .
O15 C48 C49 O16 65.6(17) . .
C49 O16 C50 C51 179.8(14) . .
K3 O16 C50 C51 34.2(17) . .
C52 O17 C51 C50 178.8(13) . .
K3 O17 C51 C50 66.8(13) . .
C52 O17 C51 K3 112.0(13) . .
O16 C50 C51 O17 -70.7(17) . .
O16 C50 C51 K3 -22.8(11) . .
O16 K3 C51 O17 137.2(12) . .
O14 K3 C51 O17 100.7(13) . .
O18 K3 C51 O17 -21.0(10) . .
O15 K3 C51 O17 129.1(10) . .
O13 K3 C51 O17 5.8(12) . .
Ge7 K3 C51 O17 -120.2(10) . .
O16 K3 C51 C50 16.8(9) . .
O14 K3 C51 C50 -19.6(17) . .
O18 K3 C51 C50 -141.3(11) . .
O15 K3 C51 C50 8.8(11) . .
O17 K3 C51 C50 -120.3(15) . .
O13 K3 C51 C50 -114.5(11) . .
Ge7 K3 C51 C50 119.5(11) . .
C51 O17 C52 C53 177.7(14) . .
K3 O17 C52 C53 -70.4(14) . .
C54 O18 C53 C52 -174.4(15) . .
K3 O18 C53 C52 -28.7(18) . .
O17 C52 C53 O18 69.1(18) . .
C53 O18 C54 C55 -175.4(15) . .
K3 O18 C54 C55 40.9(18) . .
C44 O13 C55 C54 -177.5(15) . .
K3 O13 C55 C54 58.3(16) . .
O18 C54 C55 O13 -65.8(19) . .
C61 C56 C57 C58 3(2) . .
C62 C56 C57 C58 179.3(15) . .
C56 C57 C58 C59 -1(2) . .
C57 C58 C59 C60 -1(3) . .
C58 C59 C60 C61 1(3) . .
C57 C56 C61 C60 -3(2) . .
C62 C56 C61 C60 -179.0(15) . .
C59 C60 C61 C56 1(3) . .
