#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/28/7012821.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_7012821
loop_
_publ_author_name
'Weinert, Charles S.'
'Fanwick, Phillip E.'
'Rothwell, Ian P.'
_publ_section_title
;
 Synthesis and structures of the group 1 metal/germanium cage complexes
 [M(µ-OC6H3Ph2-2,6)3Ge] (M = Li, Na, K, Rb, Cs); periodic trends
 and alkali metal dependent arene bonding
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1795
_journal_paper_doi               10.1039/b301623d
_journal_year                    2003
_chemical_formula_moiety         'C54 H39 Ge1 K1 O3,C6 H6'
_chemical_formula_sum            'C60 H45 Ge K O3'
_chemical_formula_weight         925.72
_chemical_name_systematic        ' ?'
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
_audit_creation_date             18-11-02
_audit_creation_method           from_MolEN_and_SHELXL
_audit_update_record             ' ?'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.7319(3)
_cell_length_b                   16.9873(3)
_cell_length_c                   31.0061(5)
_cell_measurement_reflns_used    29711
_cell_measurement_temperature    150
_cell_measurement_theta_max      23
_cell_measurement_theta_min      1
_cell_volume                     9339.6(3)
_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_molecular_graphics
;
ORTEP (Johnson, 1976)
PLUTON (Spek, 1991)
;
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
_computing_structure_refinement  SHELX97_(Sheldrick,_1997)
_computing_structure_solution    Direct_methods_(SIR97,_Altomare_et_al.,_1997)
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.9952
_diffrn_measured_fraction_theta_max 0.9952
_diffrn_measurement_device_type  Nonius_KappaCCD
_diffrn_measurement_method       ω
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            29711
_diffrn_reflns_theta_full        23.3
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_T_max  0.9157
_exptl_absorpt_correction_T_min  0.6241
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_description       plate
_exptl_crystal_F_000             3840
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.33
_refine_ls_abs_structure_details
'Flack H. D. (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.557(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    H_atoms_riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1172
_refine_ls_number_reflns         12796
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.038
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[σ²(Fo²)+(0.0177P)²+4.9324P] where P=(Fo²+2Fc²)/3  '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.078
_reflns_number_gt                11910
_reflns_number_total             12809
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            b301623d.txt
_cod_data_source_block           SW3329
_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_geom_angle_publ_flag'
value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (408
times).

'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (170 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C60 H45 Ge1 K1 O3'
_cod_database_code               7012821
#BEGIN Tags that were not found in dictionaries:
_reflns_friedl_coverage          0.9345
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge(1) Ge 0.26162(2) 0.23210(2) 0.015726(13) 0.02517(10) Uani 1 1 d . . .
Ge(2) Ge 0.61285(2) 0.27234(2) 0.220068(12) 0.02371(10) Uani 1 1 d . . .
K(1) K 0.35220(5) 0.06503(5) -0.01611(3) 0.0316(2) Uani 1 1 d . . .
K(2) K 0.50598(5) 0.42816(5) 0.25252(3) 0.0280(2) Uani 1 1 d . . .
O(1) O 0.21527(14) 0.14061(15) -0.01021(8) 0.0281(6) Uani 1 1 d . . .
O(2) O 0.34169(15) 0.22155(16) -0.02629(8) 0.0261(6) Uani 1 1 d . . .
O(3) O 0.31744(15) 0.15953(16) 0.05140(8) 0.0282(6) Uani 1 1 d . . .
O(4) O 0.53269(14) 0.26854(14) 0.26221(8) 0.0250(6) Uani 1 1 d . . .
O(5) O 0.64769(14) 0.36742(15) 0.24830(8) 0.0246(6) Uani 1 1 d . . .
O(6) O 0.54840(14) 0.33973(15) 0.18628(8) 0.0252(6) Uani 1 1 d . . .
C(11) C 0.1527(2) 0.1504(2) -0.03446(13) 0.0289(10) Uani 1 1 d . . .
C(12) C 0.0858(2) 0.1844(2) -0.01786(14) 0.0317(10) Uani 1 1 d . . .
C(13) C 0.0242(2) 0.1955(3) -0.04492(15) 0.0404(11) Uani 1 1 d . . .
C(14) C 0.0266(3) 0.1737(3) -0.08819(16) 0.0463(13) Uani 1 1 d . . .
C(15) C 0.0914(3) 0.1382(3) -0.10432(14) 0.0404(12) Uani 1 1 d . . .
C(16) C 0.1538(2) 0.1248(2) -0.07787(13) 0.0317(10) Uani 1 1 d . . .
C(21) C 0.3911(2) 0.2785(2) -0.03741(12) 0.0276(9) Uani 1 1 d . . .
C(22) C 0.3682(2) 0.3554(2) -0.04935(13) 0.0299(10) Uani 1 1 d . . .
C(23) C 0.4229(3) 0.4110(3) -0.05958(14) 0.0424(12) Uani 1 1 d . . .
C(24) C 0.4990(3) 0.3919(3) -0.05960(16) 0.0485(13) Uani 1 1 d . . .
C(25) C 0.5213(3) 0.3168(3) -0.04962(14) 0.0433(12) Uani 1 1 d . . .
C(26) C 0.4684(2) 0.2597(3) -0.03799(13) 0.0315(10) Uani 1 1 d . . .
C(31) C 0.2989(2) 0.1474(3) 0.09349(12) 0.0277(10) Uani 1 1 d . . .
C(32) C 0.2906(2) 0.0703(2) 0.10848(13) 0.0294(10) Uani 1 1 d . . .
C(33) C 0.2703(2) 0.0574(3) 0.15120(14) 0.0345(11) Uani 1 1 d . . .
C(34) C 0.2559(3) 0.1193(3) 0.17874(14) 0.0401(12) Uani 1 1 d . . .
C(35) C 0.2655(2) 0.1954(3) 0.16397(14) 0.0367(11) Uani 1 1 d . . .
C(36) C 0.2888(2) 0.2121(3) 0.12210(13) 0.0303(10) Uani 1 1 d . . .
C(41) C 0.4937(2) 0.2014(2) 0.26931(12) 0.0261(9) Uani 1 1 d . . .
C(42) C 0.5300(2) 0.1294(2) 0.27754(12) 0.0276(10) Uani 1 1 d . . .
C(43) C 0.4859(3) 0.0619(3) 0.28287(14) 0.0377(11) Uani 1 1 d . . .
C(44) C 0.4082(3) 0.0649(3) 0.28218(14) 0.0410(11) Uani 1 1 d . . .
C(45) C 0.3731(2) 0.1366(3) 0.27680(13) 0.0354(10) Uani 1 1 d . . .
C(46) C 0.4138(2) 0.2048(2) 0.27027(13) 0.0263(9) Uani 1 1 d . . .
C(51) C 0.7091(2) 0.3682(2) 0.27436(13) 0.0258(9) Uani 1 1 d . . .
C(52) C 0.7012(2) 0.3991(2) 0.31629(13) 0.0274(9) Uani 1 1 d . . .
C(53) C 0.7622(2) 0.3988(3) 0.34442(14) 0.0339(10) Uani 1 1 d . . .
C(54) C 0.8311(2) 0.3689(3) 0.33149(14) 0.0356(11) Uani 1 1 d . . .
C(55) C 0.8394(2) 0.3412(3) 0.28965(14) 0.0340(11) Uani 1 1 d . . .
C(56) C 0.7802(2) 0.3408(2) 0.26054(13) 0.0271(10) Uani 1 1 d . . .
C(61) C 0.5652(2) 0.3528(2) 0.14400(12) 0.0248(9) Uani 1 1 d . . .
C(62) C 0.5711(2) 0.4308(2) 0.12941(13) 0.0277(9) Uani 1 1 d . . .
C(63) C 0.5886(2) 0.4460(3) 0.08619(14) 0.0356(11) Uani 1 1 d . . .
C(64) C 0.5995(3) 0.3839(3) 0.05776(14) 0.0402(12) Uani 1 1 d . . .
C(65) C 0.5924(3) 0.3071(3) 0.07205(14) 0.0368(11) Uani 1 1 d . . .
C(66) C 0.5745(2) 0.2897(3) 0.11482(13) 0.0280(10) Uani 1 1 d . . .
C(121) C 0.0776(2) 0.2066(3) 0.02841(13) 0.0341(11) Uani 1 1 d . . .
C(122) C 0.0412(3) 0.2755(3) 0.04020(17) 0.0507(13) Uani 1 1 d . . .
C(123) C 0.0287(3) 0.2938(4) 0.08343(19) 0.0621(16) Uani 1 1 d . . .
C(124) C 0.0532(3) 0.2434(4) 0.1160(2) 0.0579(15) Uani 1 1 d . . .
C(125) C 0.0893(3) 0.1741(3) 0.10482(15) 0.0464(13) Uani 1 1 d . . .
C(126) C 0.1018(2) 0.1559(3) 0.06127(14) 0.0369(11) Uani 1 1 d . . .
C(161) C 0.2203(2) 0.0803(2) -0.09418(12) 0.0308(10) Uani 1 1 d . . .
C(162) C 0.2332(3) 0.0033(3) -0.08031(14) 0.0391(11) Uani 1 1 d . . .
C(163) C 0.2953(3) -0.0392(3) -0.09425(14) 0.0440(12) Uani 1 1 d . . .
C(164) C 0.3458(3) -0.0051(3) -0.12277(15) 0.0456(12) Uani 1 1 d . . .
C(165) C 0.3333(3) 0.0697(3) -0.13701(16) 0.0492(13) Uani 1 1 d . . .
C(166) C 0.2708(3) 0.1120(3) -0.12292(14) 0.0434(12) Uani 1 1 d . . .
C(221) C 0.2868(3) 0.3774(2) -0.05198(13) 0.0315(10) Uani 1 1 d . . .
C(222) C 0.2351(2) 0.3283(3) -0.07273(13) 0.0329(10) Uani 1 1 d . . .
C(223) C 0.1591(3) 0.3466(3) -0.07398(13) 0.0382(11) Uani 1 1 d . . .
C(224) C 0.1337(3) 0.4155(3) -0.05550(15) 0.0481(13) Uani 1 1 d . . .
C(225) C 0.1848(3) 0.4651(3) -0.03593(17) 0.0593(15) Uani 1 1 d . . .
C(226) C 0.2611(3) 0.4465(3) -0.03414(16) 0.0477(13) Uani 1 1 d . . .
C(261) C 0.4929(2) 0.1782(3) -0.02802(13) 0.0331(11) Uani 1 1 d . . .
C(262) C 0.5086(3) 0.1261(3) -0.06168(16) 0.0490(13) Uani 1 1 d . . .
C(263) C 0.5313(3) 0.0496(3) -0.05321(19) 0.0627(15) Uani 1 1 d . . .
C(264) C 0.5381(3) 0.0235(3) -0.0114(2) 0.0595(15) Uani 1 1 d . . .
C(265) C 0.5228(3) 0.0748(3) 0.02254(17) 0.0482(13) Uani 1 1 d . . .
C(266) C 0.4997(2) 0.1509(3) 0.01389(16) 0.0372(10) Uani 1 1 d . . .
C(321) C 0.3066(2) 0.0018(2) 0.07932(13) 0.0289(10) Uani 1 1 d . . .
C(322) C 0.3768(2) -0.0330(3) 0.07960(14) 0.0394(11) Uani 1 1 d . . .
C(323) C 0.3926(3) -0.0973(3) 0.05281(16) 0.0460(12) Uani 1 1 d . . .
C(324) C 0.3379(3) -0.1267(3) 0.02626(15) 0.0412(12) Uani 1 1 d . . .
C(325) C 0.2667(3) -0.0929(3) 0.02605(14) 0.0375(12) Uani 1 1 d . . .
C(326) C 0.2519(2) -0.0289(3) 0.05207(14) 0.0325(10) Uani 1 1 d . . .
C(361) C 0.3028(2) 0.2944(3) 0.10846(13) 0.0300(10) Uani 1 1 d . . .
C(362) C 0.2504(3) 0.3545(3) 0.11639(14) 0.0363(11) Uani 1 1 d . . .
C(363) C 0.2644(3) 0.4306(3) 0.10378(15) 0.0458(13) Uani 1 1 d . . .
C(364) C 0.3311(3) 0.4503(3) 0.08243(14) 0.0407(12) Uani 1 1 d . . .
C(365) C 0.3839(3) 0.3907(3) 0.07490(14) 0.0372(11) Uani 1 1 d . . .
C(366) C 0.3698(2) 0.3141(3) 0.08793(13) 0.0315(10) Uani 1 1 d . . .
C(421) C 0.6133(2) 0.1229(2) 0.28183(13) 0.0303(10) Uani 1 1 d . . .
C(422) C 0.6526(2) 0.1741(2) 0.30888(13) 0.0295(10) Uani 1 1 d . . .
C(423) C 0.7298(2) 0.1676(2) 0.31422(14) 0.0351(10) Uani 1 1 d . . .
C(424) C 0.7696(3) 0.1099(3) 0.29299(16) 0.0434(12) Uani 1 1 d . . .
C(425) C 0.7315(3) 0.0581(3) 0.26622(16) 0.0465(12) Uani 1 1 d . . .
C(426) C 0.6544(2) 0.0646(2) 0.26080(14) 0.0388(11) Uani 1 1 d . . .
C(461) C 0.3754(2) 0.2827(2) 0.26684(13) 0.0267(9) Uani 1 1 d . . .
C(462) C 0.3695(2) 0.3240(2) 0.22762(13) 0.0298(10) Uani 1 1 d . . .
C(463) C 0.3332(2) 0.3966(3) 0.22586(15) 0.0366(11) Uani 1 1 d . . .
C(464) C 0.3025(2) 0.4295(3) 0.26322(15) 0.0399(11) Uani 1 1 d . . .
C(465) C 0.3070(3) 0.3881(3) 0.30134(15) 0.0439(12) Uani 1 1 d . . .
C(466) C 0.3422(2) 0.3160(3) 0.30316(14) 0.0395(11) Uani 1 1 d . . .
C(521) C 0.6260(2) 0.4300(2) 0.32983(12) 0.0268(9) Uani 1 1 d . . .
C(522) C 0.5701(2) 0.3792(3) 0.34528(13) 0.0325(10) Uani 1 1 d . . .
C(523) C 0.4983(2) 0.4067(3) 0.35567(13) 0.0365(11) Uani 1 1 d . . .
C(524) C 0.4808(3) 0.4845(3) 0.35018(14) 0.0377(11) Uani 1 1 d . . .
C(525) C 0.5346(3) 0.5359(3) 0.33505(14) 0.0389(11) Uani 1 1 d . . .
C(526) C 0.6067(2) 0.5091(3) 0.32469(13) 0.0335(11) Uani 1 1 d . . .
C(561) C 0.7926(2) 0.3128(2) 0.21542(15) 0.0305(10) Uani 1 1 d . . .
C(562) C 0.7662(2) 0.3562(3) 0.18000(14) 0.0333(11) Uani 1 1 d . . .
C(563) C 0.7788(3) 0.3306(3) 0.13837(15) 0.0458(13) Uani 1 1 d . . .
C(564) C 0.8190(3) 0.2638(3) 0.13024(17) 0.0537(14) Uani 1 1 d . . .
C(565) C 0.8451(3) 0.2200(3) 0.16485(18) 0.0540(14) Uani 1 1 d . . .
C(566) C 0.8325(3) 0.2438(3) 0.20682(16) 0.0429(12) Uani 1 1 d . . .
C(621) C 0.5568(2) 0.4973(2) 0.15984(13) 0.0272(10) Uani 1 1 d . . .
C(622) C 0.4836(3) 0.5276(3) 0.16392(14) 0.0376(11) Uani 1 1 d . . .
C(623) C 0.4685(3) 0.5890(3) 0.19205(15) 0.0408(11) Uani 1 1 d . . .
C(624) C 0.5256(2) 0.6212(2) 0.21701(15) 0.0367(10) Uani 1 1 d . . .
C(625) C 0.5980(2) 0.5924(2) 0.21301(15) 0.0347(11) Uani 1 1 d . . .
C(626) C 0.6131(2) 0.5310(2) 0.18477(13) 0.0297(10) Uani 1 1 d . . .
C(661) C 0.5618(2) 0.2065(3) 0.12809(13) 0.0271(10) Uani 1 1 d . . .
C(662) C 0.6160(2) 0.1488(3) 0.11994(15) 0.0373(11) Uani 1 1 d . . .
C(663) C 0.6039(3) 0.0712(3) 0.13366(15) 0.0417(12) Uani 1 1 d . . .
C(664) C 0.5380(3) 0.0515(3) 0.15464(14) 0.0392(12) Uani 1 1 d . . .
C(665) C 0.4837(3) 0.1073(3) 0.16229(14) 0.0374(11) Uani 1 1 d . . .
C(666) C 0.4958(2) 0.1843(2) 0.14917(12) 0.0286(10) Uani 1 1 d . . .
C(911) C 0.6423(3) 0.7702(3) 0.27664(19) 0.0558(15) Uani 1 1 d . . .
C(912) C 0.6243(3) 0.7380(3) 0.31582(19) 0.0549(14) Uani 1 1 d . . .
C(913) C 0.5559(4) 0.7516(3) 0.33399(18) 0.0587(15) Uani 1 1 d . . .
C(914) C 0.5041(3) 0.7985(4) 0.3128(2) 0.0643(17) Uani 1 1 d . . .
C(915) C 0.5214(3) 0.8315(3) 0.2728(2) 0.0601(16) Uani 1 1 d . . .
C(916) C 0.5922(4) 0.8159(3) 0.25563(19) 0.0623(15) Uani 1 1 d . . .
C(921) C 0.2506(3) -0.2633(4) -0.0560(2) 0.0630(16) Uani 1 1 d . . .
C(922) C 0.3197(3) -0.2848(4) -0.07217(19) 0.0649(16) Uani 1 1 d . . .
C(923) C 0.3668(4) -0.3327(4) -0.04928(18) 0.0634(16) Uani 1 1 d . . .
C(924) C 0.3484(4) -0.3571(3) -0.0081(2) 0.0696(17) Uani 1 1 d . . .
C(925) C 0.2784(4) -0.3355(4) 0.00824(19) 0.0761(19) Uani 1 1 d . . .
C(926) C 0.2299(3) -0.2879(4) -0.01609(19) 0.0616(16) Uani 1 1 d . . .
H(13) H -0.0204 0.2185 -0.0336 0.049 Uiso 1 1 calc R . .
H(14) H -0.0155 0.1830 -0.1065 0.056 Uiso 1 1 calc R . .
H(15) H 0.0932 0.1228 -0.1338 0.048 Uiso 1 1 calc R . .
H(23) H 0.4079 0.4631 -0.0667 0.051 Uiso 1 1 calc R . .
H(24) H 0.5355 0.4308 -0.0665 0.058 Uiso 1 1 calc R . .
H(25) H 0.5733 0.3034 -0.0506 0.052 Uiso 1 1 calc R . .
H(33) H 0.2664 0.0050 0.1616 0.041 Uiso 1 1 calc R . .
H(34) H 0.2395 0.1097 0.2074 0.048 Uiso 1 1 calc R . .
H(35) H 0.2558 0.2379 0.1831 0.044 Uiso 1 1 calc R . .
H(43) H 0.5101 0.0126 0.2871 0.045 Uiso 1 1 calc R . .
H(44) H 0.3792 0.0182 0.2854 0.049 Uiso 1 1 calc R . .
H(45) H 0.3196 0.1391 0.2776 0.043 Uiso 1 1 calc R . .
H(53) H 0.7565 0.4194 0.3727 0.041 Uiso 1 1 calc R . .
H(54) H 0.8723 0.3673 0.3510 0.043 Uiso 1 1 calc R . .
H(55) H 0.8872 0.3219 0.2807 0.041 Uiso 1 1 calc R . .
H(63) H 0.5930 0.4987 0.0763 0.043 Uiso 1 1 calc R . .
H(64) H 0.6118 0.3942 0.0285 0.048 Uiso 1 1 calc R . .
H(65) H 0.6000 0.2651 0.0523 0.044 Uiso 1 1 calc R . .
H(122) H 0.0245 0.3108 0.0185 0.061 Uiso 1 1 calc R . .
H(123) H 0.0032 0.3411 0.0908 0.075 Uiso 1 1 calc R . .
H(124) H 0.0453 0.2564 0.1454 0.070 Uiso 1 1 calc R . .
H(125) H 0.1056 0.1388 0.1267 0.056 Uiso 1 1 calc R . .
H(126) H 0.1271 0.1084 0.0539 0.044 Uiso 1 1 calc R . .
H(162) H 0.1894 -0.0267 -0.0684 0.047 Uiso 1 1 calc R . .
H(163) H 0.2949 -0.0978 -0.0911 0.053 Uiso 1 1 calc R . .
H(164) H 0.3888 -0.0336 -0.1323 0.055 Uiso 1 1 calc R . .
H(165) H 0.3675 0.0932 -0.1568 0.059 Uiso 1 1 calc R . .
H(166) H 0.2629 0.1639 -0.1334 0.052 Uiso 1 1 calc R . .
H(222) H 0.2524 0.2815 -0.0862 0.039 Uiso 1 1 calc R . .
H(223) H 0.1245 0.3118 -0.0875 0.046 Uiso 1 1 calc R . .
H(224) H 0.0816 0.4286 -0.0563 0.058 Uiso 1 1 calc R . .
H(225) H 0.1676 0.5129 -0.0234 0.071 Uiso 1 1 calc R . .
H(226) H 0.2955 0.4816 -0.0206 0.057 Uiso 1 1 calc R . .
H(262) H 0.5075 0.1454 -0.0921 0.059 Uiso 1 1 calc R . .
H(263) H 0.5422 0.0150 -0.0764 0.075 Uiso 1 1 calc R . .
H(264) H 0.5532 -0.0291 -0.0058 0.071 Uiso 1 1 calc R . .
H(265) H 0.5330 0.0582 0.0529 0.058 Uiso 1 1 calc R . .
H(266) H 0.4966 0.1894 0.0382 0.045 Uiso 1 1 calc R . .
H(322) H 0.4149 -0.0131 0.0982 0.047 Uiso 1 1 calc R . .
H(323) H 0.4413 -0.1204 0.0531 0.055 Uiso 1 1 calc R . .
H(324) H 0.3486 -0.1702 0.0080 0.049 Uiso 1 1 calc R . .
H(325) H 0.2246 -0.1189 0.0100 0.045 Uiso 1 1 calc R . .
H(326) H 0.1983 -0.0125 0.0564 0.039 Uiso 1 1 calc R . .
H(362) H 0.2045 0.3424 0.1307 0.044 Uiso 1 1 calc R . .
H(363) H 0.2282 0.4704 0.1097 0.055 Uiso 1 1 calc R . .
H(364) H 0.3404 0.5028 0.0733 0.049 Uiso 1 1 calc R . .
H(365) H 0.4299 0.4029 0.0607 0.045 Uiso 1 1 calc R . .
H(366) H 0.4065 0.2745 0.0828 0.038 Uiso 1 1 calc R . .
H(422) H 0.6259 0.2141 0.3239 0.035 Uiso 1 1 calc R . .
H(423) H 0.7555 0.2033 0.3327 0.042 Uiso 1 1 calc R . .
H(424) H 0.8227 0.1056 0.2967 0.052 Uiso 1 1 calc R . .
H(425) H 0.7585 0.0180 0.2515 0.056 Uiso 1 1 calc R . .
H(426) H 0.6290 0.0286 0.2424 0.047 Uiso 1 1 calc R . .
H(462) H 0.3730 0.2929 0.2003 0.036 Uiso 1 1 calc R . .
H(463) H 0.3151 0.4162 0.1973 0.044 Uiso 1 1 calc R . .
H(464) H 0.2788 0.4796 0.2624 0.048 Uiso 1 1 calc R . .
H(465) H 0.2855 0.4096 0.3268 0.053 Uiso 1 1 calc R . .
H(466) H 0.3440 0.2884 0.3298 0.047 Uiso 1 1 calc R . .
H(522) H 0.5830 0.3229 0.3510 0.039 Uiso 1 1 calc R . .
H(523) H 0.4605 0.3700 0.3686 0.044 Uiso 1 1 calc R . .
H(524) H 0.4304 0.5048 0.3595 0.045 Uiso 1 1 calc R . .
H(525) H 0.5232 0.5935 0.3337 0.047 Uiso 1 1 calc R . .
H(526) H 0.6464 0.5478 0.3161 0.040 Uiso 1 1 calc R . .
H(562) H 0.7393 0.4038 0.1847 0.040 Uiso 1 1 calc R . .
H(563) H 0.7591 0.3601 0.1149 0.055 Uiso 1 1 calc R . .
H(564) H 0.8290 0.2477 0.1015 0.064 Uiso 1 1 calc R . .
H(565) H 0.8721 0.1727 0.1596 0.065 Uiso 1 1 calc R . .
H(566) H 0.8512 0.2130 0.2300 0.052 Uiso 1 1 calc R . .
H(622) H 0.4438 0.5058 0.1472 0.045 Uiso 1 1 calc R . .
H(623) H 0.4187 0.6092 0.1942 0.049 Uiso 1 1 calc R . .
H(624) H 0.5149 0.6626 0.2367 0.044 Uiso 1 1 calc R . .
H(625) H 0.6377 0.6146 0.2296 0.042 Uiso 1 1 calc R . .
H(626) H 0.6632 0.5116 0.1825 0.036 Uiso 1 1 calc R . .
H(662) H 0.6611 0.1621 0.1051 0.045 Uiso 1 1 calc R . .
H(663) H 0.6411 0.0321 0.1285 0.050 Uiso 1 1 calc R . .
H(664) H 0.5301 -0.0012 0.1639 0.047 Uiso 1 1 calc R . .
H(665) H 0.4382 0.0933 0.1765 0.045 Uiso 1 1 calc R . .
H(666) H 0.4582 0.2228 0.1547 0.034 Uiso 1 1 calc R . .
H(911) H 0.6903 0.7603 0.2642 0.067 Uiso 1 1 calc R . .
H(912) H 0.6600 0.7059 0.3304 0.066 Uiso 1 1 calc R . .
H(913) H 0.5437 0.7291 0.3611 0.070 Uiso 1 1 calc R . .
H(914) H 0.4563 0.8083 0.3256 0.077 Uiso 1 1 calc R . .
H(915) H 0.4861 0.8635 0.2579 0.072 Uiso 1 1 calc R . .
H(916) H 0.6055 0.8378 0.2285 0.075 Uiso 1 1 calc R . .
H(921) H 0.2175 -0.2314 -0.0727 0.076 Uiso 1 1 calc R . .
H(922) H 0.3350 -0.2661 -0.0997 0.078 Uiso 1 1 calc R . .
H(923) H 0.4129 -0.3494 -0.0619 0.076 Uiso 1 1 calc R . .
H(924) H 0.3826 -0.3878 0.0085 0.084 Uiso 1 1 calc R . .
H(925) H 0.2634 -0.3530 0.0360 0.091 Uiso 1 1 calc R . .
H(926) H 0.1824 -0.2729 -0.0046 0.074 Uiso 1 1 calc R . .
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O(3) Ge(1) O(1) 86.72(11) yes
O(3) Ge(1) O(2) 87.15(11) yes
O(1) Ge(1) O(2) 87.56(11) yes
O(3) Ge(1) K(1) 52.56(8) yes
O(1) Ge(1) K(1) 53.86(8) yes
O(2) Ge(1) K(1) 51.83(8) yes
O(6) Ge(2) O(4) 87.21(11) yes
O(6) Ge(2) O(5) 86.53(11) yes
O(4) Ge(2) O(5) 87.53(11) yes
O(6) Ge(2) K(2) 50.90(8) yes
O(4) Ge(2) K(2) 54.34(8) yes
O(5) Ge(2) K(2) 52.88(7) yes
O(2) K(1) O(3) 59.21(8) yes
O(2) K(1) O(1) 58.97(8) yes
O(3) K(1) O(1) 58.10(8) yes
O(2) K(1) C(162) 102.31(10) yes
O(3) K(1) C(162) 122.97(11) yes
O(1) K(1) C(162) 66.28(10) yes
O(2) K(1) C(266) 68.41(10) yes
O(3) K(1) C(266) 71.64(11) yes
O(1) K(1) C(266) 119.94(10) yes
C(162) K(1) C(266) 156.95(13) yes
O(2) K(1) C(163) 116.22(11) yes
O(3) K(1) C(163) 148.23(11) yes
O(1) K(1) C(163) 91.75(11) yes
C(162) K(1) C(163) 25.59(12) yes
C(266) K(1) C(163) 138.85(13) yes
O(2) K(1) C(261) 55.98(10) yes
O(3) K(1) C(261) 84.82(10) yes
O(1) K(1) C(261) 114.78(10) yes
C(162) K(1) C(261) 132.00(12) yes
C(266) K(1) C(261) 25.36(11) yes
C(163) K(1) C(261) 120.05(12) yes
O(2) K(1) C(326) 122.34(10) yes
O(3) K(1) C(326) 69.98(10) yes
O(1) K(1) C(326) 72.40(10) yes
C(162) K(1) C(326) 82.89(12) yes
C(266) K(1) C(326) 120.06(12) yes
C(163) K(1) C(326) 92.84(12) yes
C(261) K(1) C(326) 144.98(11) yes
O(2) K(1) C(321) 114.68(10) yes
O(3) K(1) C(321) 55.67(9) yes
O(1) K(1) C(321) 82.78(10) yes
C(162) K(1) C(321) 107.75(11) yes
C(266) K(1) C(321) 95.24(12) yes
C(163) K(1) C(321) 115.62(12) yes
C(261) K(1) C(321) 120.15(11) yes
C(326) K(1) C(321) 24.86(11) yes
O(2) K(1) C(265) 93.28(11) yes
O(3) K(1) C(265) 84.08(11) yes
O(1) K(1) C(265) 140.42(11) yes
C(162) K(1) C(265) 152.87(13) yes
C(266) K(1) C(265) 24.86(11) yes
C(163) K(1) C(265) 127.30(13) yes
C(261) K(1) C(265) 44.05(11) yes
C(326) K(1) C(265) 107.42(12) yes
C(321) K(1) C(265) 85.01(12) yes
O(2) K(1) C(262) 72.24(10) yes
O(3) K(1) C(262) 109.74(11) yes
O(1) K(1) C(262) 128.82(11) yes
C(162) K(1) C(262) 114.07(13) yes
C(266) K(1) C(262) 43.59(13) yes
C(163) K(1) C(262) 96.70(13) yes
C(261) K(1) C(262) 24.93(11) yes
C(326) K(1) C(262) 156.16(12) yes
C(321) K(1) C(262) 134.98(12) yes
C(265) K(1) C(262) 50.01(13) yes
O(2) K(1) C(325) 143.93(10) yes
O(3) K(1) C(325) 94.02(10) yes
O(1) K(1) C(325) 87.02(10) yes
C(162) K(1) C(325) 70.71(11) yes
C(266) K(1) C(325) 129.41(12) yes
C(163) K(1) C(325) 72.91(12) yes
C(261) K(1) C(325) 152.59(11) yes
C(326) K(1) C(325) 24.19(11) yes
C(321) K(1) C(325) 42.84(11) yes
C(265) K(1) C(325) 108.55(12) yes
C(262) K(1) C(325) 143.56(12) yes
O(6) K(2) O(5) 59.07(8) yes
O(6) K(2) O(4) 58.75(8) yes
O(5) K(2) O(4) 58.37(8) yes
O(6) K(2) C(462) 72.85(10) yes
O(5) K(2) C(462) 119.57(10) yes
O(4) K(2) C(462) 66.49(9) yes
O(6) K(2) C(526) 129.12(10) yes
O(5) K(2) C(526) 71.24(10) yes
O(4) K(2) C(526) 104.54(10) yes
C(462) K(2) C(526) 149.62(11) yes
O(6) K(2) C(525) 154.35(10) yes
O(5) K(2) C(525) 96.26(10) yes
O(4) K(2) C(525) 116.60(10) yes
C(462) K(2) C(525) 130.77(11) yes
C(526) K(2) C(525) 25.32(11) yes
O(6) K(2) C(522) 116.59(10) yes
O(5) K(2) C(522) 67.47(9) yes
O(4) K(2) C(522) 65.64(10) yes
C(462) K(2) C(522) 110.67(11) yes
C(526) K(2) C(522) 43.94(11) yes
C(525) K(2) C(522) 51.04(11) yes
O(6) K(2) C(521) 113.33(10) yes
O(5) K(2) C(521) 54.98(9) yes
O(4) K(2) C(521) 79.33(9) yes
C(462) K(2) C(521) 135.33(11) yes
C(526) K(2) C(521) 25.25(10) yes
C(525) K(2) C(521) 44.60(11) yes
C(522) K(2) C(521) 25.23(10) yes
O(6) K(2) C(524) 159.93(10) yes
O(5) K(2) C(524) 106.70(10) yes
O(4) K(2) C(524) 102.33(10) yes
C(462) K(2) C(524) 107.27(11) yes
C(526) K(2) C(524) 44.28(11) yes
C(525) K(2) C(524) 24.86(11) yes
C(522) K(2) C(524) 43.85(11) yes
C(521) K(2) C(524) 51.95(11) yes
O(6) K(2) C(463) 88.67(10) yes
O(5) K(2) C(463) 143.52(10) yes
O(4) K(2) C(463) 91.58(10) yes
C(462) K(2) C(463) 25.38(11) yes
C(526) K(2) C(463) 142.04(11) yes
C(525) K(2) C(463) 116.98(12) yes
C(522) K(2) C(463) 121.69(11) yes
C(521) K(2) C(463) 145.67(11) yes
C(524) K(2) C(463) 99.18(11) yes
O(6) K(2) C(523) 135.74(10) yes
O(5) K(2) C(523) 92.51(10) yes
O(4) K(2) C(523) 77.79(10) yes
C(462) K(2) C(523) 98.61(11) yes
C(526) K(2) C(523) 51.20(11) yes
C(525) K(2) C(523) 43.50(12) yes
C(522) K(2) C(523) 25.04(11) yes
C(521) K(2) C(523) 44.51(11) yes
C(524) K(2) C(523) 24.58(11) yes
C(463) K(2) C(523) 101.30(11) yes
O(6) K(2) C(621) 55.84(9) yes
O(5) K(2) C(621) 80.65(9) yes
O(4) K(2) C(621) 113.86(9) yes
C(462) K(2) C(621) 101.76(11) yes
C(526) K(2) C(621) 108.20(11) yes
C(525) K(2) C(621) 117.45(11) yes
C(522) K(2) C(621) 142.54(11) yes
C(521) K(2) C(621) 118.43(11) yes
C(524) K(2) C(621) 140.35(11) yes
C(463) K(2) C(621) 95.60(11) yes
C(523) K(2) C(621) 159.29(11) yes
C(11) O(1) Ge(1) 118.8(2) yes
C(11) O(1) K(1) 138.2(2) yes
Ge(1) O(1) K(1) 91.58(10) yes
C(21) O(2) Ge(1) 125.5(2) yes
C(21) O(2) K(1) 134.1(2) yes
Ge(1) O(2) K(1) 93.64(10) yes
C(31) O(3) Ge(1) 121.5(2) yes
C(31) O(3) K(1) 134.9(2) yes
Ge(1) O(3) K(1) 93.00(10) yes
C(41) O(4) Ge(2) 121.0(2) yes
C(41) O(4) K(2) 139.1(2) yes
Ge(2) O(4) K(2) 91.13(9) yes
C(51) O(5) Ge(2) 122.2(2) yes
C(51) O(5) K(2) 135.2(2) yes
Ge(2) O(5) K(2) 92.49(9) yes
C(61) O(6) Ge(2) 119.3(2) yes
C(61) O(6) K(2) 135.6(2) yes
Ge(2) O(6) K(2) 94.79(10) yes
O(1) C(11) C(16) 118.8(4) yes
O(1) C(11) C(12) 122.4(4) yes
C(16) C(11) C(12) 118.8(4) yes
C(13) C(12) C(11) 119.6(4) yes
C(13) C(12) C(121) 118.0(4) yes
C(11) C(12) C(121) 122.4(4) yes
C(12) C(13) C(14) 121.5(4) yes
C(15) C(14) C(13) 119.1(4) yes
C(14) C(15) C(16) 120.9(4) yes
C(15) C(16) C(11) 119.9(4) yes
C(15) C(16) C(161) 120.7(4) yes
C(11) C(16) C(161) 119.3(4) yes
O(2) C(21) C(26) 118.2(4) yes
O(2) C(21) C(22) 122.8(4) yes
C(26) C(21) C(22) 119.0(4) yes
C(23) C(22) C(21) 119.1(4) yes
C(23) C(22) C(221) 119.4(4) yes
C(21) C(22) C(221) 121.5(4) yes
C(24) C(23) C(22) 121.2(4) yes
C(25) C(24) C(23) 119.9(4) yes
C(24) C(25) C(26) 120.7(4) yes
C(25) C(26) C(21) 120.0(4) yes
C(25) C(26) C(261) 120.4(4) yes
C(21) C(26) C(261) 119.6(4) yes
O(3) C(31) C(32) 119.1(4) yes
O(3) C(31) C(36) 120.8(4) yes
C(32) C(31) C(36) 120.1(4) yes
C(33) C(32) C(31) 119.5(4) yes
C(33) C(32) C(321) 120.0(4) yes
C(31) C(32) C(321) 120.4(3) yes
C(34) C(33) C(32) 121.2(4) yes
C(33) C(34) C(35) 119.0(4) yes
C(34) C(35) C(36) 122.4(4) yes
C(35) C(36) C(31) 117.5(4) yes
C(35) C(36) C(361) 120.5(4) yes
C(31) C(36) C(361) 122.0(4) yes
O(4) C(41) C(42) 122.0(4) yes
O(4) C(41) C(46) 118.7(3) yes
C(42) C(41) C(46) 119.2(4) yes
C(43) C(42) C(41) 118.6(4) yes
C(43) C(42) C(421) 119.0(4) yes
C(41) C(42) C(421) 122.3(4) yes
C(44) C(43) C(42) 121.8(4) yes
C(45) C(44) C(43) 119.0(4) yes
C(44) C(45) C(46) 121.7(4) yes
C(45) C(46) C(41) 119.4(4) yes
C(45) C(46) C(461) 121.1(4) yes
C(41) C(46) C(461) 119.4(3) yes
O(5) C(51) C(52) 118.3(3) yes
O(5) C(51) C(56) 122.2(3) yes
C(52) C(51) C(56) 119.5(4) yes
C(53) C(52) C(51) 120.1(4) yes
C(53) C(52) C(521) 121.3(4) yes
C(51) C(52) C(521) 118.6(3) yes
C(54) C(53) C(52) 120.4(4) yes
C(53) C(54) C(55) 119.3(4) yes
C(56) C(55) C(54) 122.1(4) yes
C(55) C(56) C(51) 118.5(4) yes
C(55) C(56) C(561) 120.0(4) yes
C(51) C(56) C(561) 121.4(3) yes
O(6) C(61) C(62) 118.7(3) yes
O(6) C(61) C(66) 121.2(4) yes
C(62) C(61) C(66) 120.1(4) yes
C(63) C(62) C(61) 119.9(4) yes
C(63) C(62) C(621) 120.3(4) yes
C(61) C(62) C(621) 119.8(3) yes
C(64) C(63) C(62) 120.0(4) yes
C(65) C(64) C(63) 120.0(4) yes
C(64) C(65) C(66) 121.6(4) yes
C(65) C(66) C(61) 118.4(4) yes
C(65) C(66) C(661) 119.8(4) yes
C(61) C(66) C(661) 121.7(3) yes
C(122) C(121) C(126) 118.1(4) yes
C(122) C(121) C(12) 120.9(4) yes
C(126) C(121) C(12) 120.8(4) yes
C(121) C(122) C(123) 121.1(5) yes
C(122) C(123) C(124) 120.6(5) yes
C(125) C(124) C(123) 119.1(5) yes
C(124) C(125) C(126) 120.1(5) yes
C(125) C(126) C(121) 121.0(5) yes
C(166) C(161) C(162) 117.4(4) yes
C(166) C(161) C(16) 122.5(4) yes
C(162) C(161) C(16) 120.0(4) yes
C(166) C(161) K(1) 92.5(3) yes
C(162) C(161) K(1) 66.0(2) yes
C(16) C(161) K(1) 110.1(2) yes
C(163) C(162) C(161) 121.5(4) yes
C(163) C(162) K(1) 80.5(3) yes
C(161) C(162) K(1) 89.6(3) yes
C(162) C(163) C(164) 119.7(4) yes
C(162) C(163) K(1) 73.9(3) yes
C(164) C(163) K(1) 92.8(3) yes
C(165) C(164) C(163) 119.4(4) yes
C(165) C(164) K(1) 89.7(3) yes
C(163) C(164) K(1) 64.1(3) yes
C(164) C(165) C(166) 120.7(4) yes
C(161) C(166) C(165) 121.4(4) yes
C(226) C(221) C(222) 118.5(4) yes
C(226) C(221) C(22) 120.8(4) yes
C(222) C(221) C(22) 120.7(4) yes
C(223) C(222) C(221) 121.2(4) yes
C(224) C(223) C(222) 119.8(4) yes
C(225) C(224) C(223) 119.1(5) yes
C(224) C(225) C(226) 121.3(5) yes
C(221) C(226) C(225) 120.0(5) yes
C(266) C(261) C(262) 118.1(4) yes
C(266) C(261) C(26) 122.3(4) yes
C(262) C(261) C(26) 119.6(4) yes
C(266) C(261) K(1) 75.9(2) yes
C(262) C(261) K(1) 81.9(3) yes
C(26) C(261) K(1) 111.1(2) yes
C(263) C(262) C(261) 120.7(5) yes
C(263) C(262) K(1) 82.4(3) yes
C(261) C(262) K(1) 73.1(3) yes
C(264) C(263) C(262) 120.5(5) yes
C(264) C(263) K(1) 77.8(3) yes
C(262) C(263) K(1) 73.7(3) yes
C(263) C(264) C(265) 119.5(5) yes
C(263) C(264) K(1) 78.8(3) yes
C(265) C(264) K(1) 73.2(3) yes
C(266) C(265) C(264) 119.7(5) yes
C(266) C(265) K(1) 72.6(2) yes
C(264) C(265) K(1) 82.6(3) yes
C(265) C(266) C(261) 121.4(5) yes
C(265) C(266) K(1) 82.6(3) yes
C(261) C(266) K(1) 78.8(2) yes
C(322) C(321) C(326) 118.3(4) yes
C(322) C(321) C(32) 120.0(4) yes
C(326) C(321) C(32) 121.7(4) yes
C(322) C(321) K(1) 85.6(3) yes
C(326) C(321) K(1) 75.2(2) yes
C(32) C(321) K(1) 109.8(2) yes
C(321) C(322) C(323) 120.7(4) yes
C(321) C(322) K(1) 70.8(2) yes
C(323) C(322) K(1) 83.7(3) yes
C(324) C(323) C(322) 120.1(4) yes
C(323) C(324) C(325) 119.8(4) yes
C(323) C(324) K(1) 80.5(3) yes
C(325) C(324) K(1) 71.4(3) yes
C(326) C(325) C(324) 119.8(4) yes
C(326) C(325) K(1) 71.5(2) yes
C(324) C(325) K(1) 85.5(3) yes
C(325) C(326) C(321) 121.3(4) yes
C(325) C(326) K(1) 84.3(3) yes
C(321) C(326) K(1) 80.0(2) yes
C(366) C(361) C(362) 118.1(4) yes
C(366) C(361) C(36) 120.1(4) yes
C(362) C(361) C(36) 121.8(4) yes
C(363) C(362) C(361) 121.0(4) yes
C(362) C(363) C(364) 121.0(4) yes
C(363) C(364) C(365) 118.2(4) yes
C(366) C(365) C(364) 120.7(4) yes
C(365) C(366) C(361) 121.0(4) yes
C(426) C(421) C(422) 117.7(4) yes
C(426) C(421) C(42) 122.0(4) yes
C(422) C(421) C(42) 120.2(4) yes
C(423) C(422) C(421) 121.1(4) yes
C(424) C(423) C(422) 120.5(4) yes
C(423) C(424) C(425) 119.2(4) yes
C(426) C(425) C(424) 120.4(4) yes
C(425) C(426) C(421) 121.2(4) yes
C(466) C(461) C(462) 117.7(4) yes
C(466) C(461) C(46) 119.8(4) yes
C(462) C(461) C(46) 122.5(3) yes
C(466) C(461) K(2) 95.6(3) yes
C(462) C(461) K(2) 65.0(2) yes
C(46) C(461) K(2) 110.0(2) yes
C(463) C(462) C(461) 120.7(4) yes
C(463) C(462) K(2) 82.2(2) yes
C(461) C(462) K(2) 90.6(2) yes
C(462) C(463) C(464) 120.1(4) yes
C(462) C(463) K(2) 72.4(2) yes
C(464) C(463) K(2) 95.3(3) yes
C(465) C(464) C(463) 119.0(4) yes
C(466) C(465) C(464) 121.1(4) yes
C(465) C(466) C(461) 121.4(4) yes
C(526) C(521) C(522) 117.3(4) yes
C(526) C(521) C(52) 121.7(4) yes
C(522) C(521) C(52) 120.8(4) yes
C(526) C(521) K(2) 76.2(2) yes
C(522) C(521) K(2) 77.2(2) yes
C(52) C(521) K(2) 112.3(2) yes
C(523) C(522) C(521) 121.4(4) yes
C(523) C(522) K(2) 78.3(2) yes
C(521) C(522) K(2) 77.5(2) yes
C(524) C(523) C(522) 120.2(4) yes
C(524) C(523) K(2) 77.1(3) yes
C(522) C(523) K(2) 76.7(2) yes
C(523) C(524) C(525) 119.8(4) yes
C(523) C(524) K(2) 78.3(3) yes
C(525) C(524) K(2) 76.7(2) yes
C(524) C(525) C(526) 120.5(4) yes
C(524) C(525) K(2) 78.4(3) yes
C(526) C(525) K(2) 76.9(2) yes
C(521) C(526) C(525) 120.8(4) yes
C(521) C(526) K(2) 78.6(2) yes
C(525) C(526) K(2) 77.7(3) yes
C(566) C(561) C(562) 117.5(4) yes
C(566) C(561) C(56) 121.4(4) yes
C(562) C(561) C(56) 121.0(4) yes
C(563) C(562) C(561) 120.7(4) yes
C(564) C(563) C(562) 121.3(5) yes
C(563) C(564) C(565) 118.6(5) yes
C(566) C(565) C(564) 121.3(5) yes
C(565) C(566) C(561) 120.6(5) yes
C(626) C(621) C(622) 117.7(4) yes
C(626) C(621) C(62) 122.9(4) yes
C(622) C(621) C(62) 119.5(4) yes
C(626) C(621) K(2) 81.7(2) yes
C(622) C(621) K(2) 78.2(2) yes
C(62) C(621) K(2) 109.6(2) yes
C(623) C(622) C(621) 120.8(4) yes
C(623) C(622) K(2) 83.3(3) yes
C(621) C(622) K(2) 76.8(2) yes
C(622) C(623) C(624) 120.5(4) yes
C(622) C(623) K(2) 72.7(3) yes
C(624) C(623) K(2) 82.3(3) yes
C(625) C(624) C(623) 119.3(4) yes
C(625) C(624) K(2) 77.7(2) yes
C(623) C(624) K(2) 74.5(3) yes
C(624) C(625) C(626) 120.1(4) yes
C(624) C(625) K(2) 79.3(2) yes
C(626) C(625) K(2) 73.0(2) yes
C(625) C(626) C(621) 121.6(4) yes
C(625) C(626) K(2) 83.5(2) yes
C(621) C(626) K(2) 74.0(2) yes
C(666) C(661) C(662) 118.3(4) yes
C(666) C(661) C(66) 120.9(4) yes
C(662) C(661) C(66) 120.8(4) yes
C(661) C(662) C(663) 120.0(4) yes
C(664) C(663) C(662) 120.1(4) yes
C(665) C(664) C(663) 120.5(5) yes
C(664) C(665) C(666) 119.6(4) yes
C(665) C(666) C(661) 121.5(4) yes
C(916) C(911) C(912) 120.3(6) yes
C(913) C(912) C(911) 120.5(6) yes
C(912) C(913) C(914) 119.7(6) yes
C(913) C(914) C(915) 120.5(5) yes
C(916) C(915) C(914) 117.6(6) yes
C(911) C(916) C(915) 121.3(6) yes
C(926) C(921) C(922) 119.4(7) yes
C(923) C(922) C(921) 121.0(6) yes
C(922) C(923) C(924) 121.0(6) yes
C(923) C(924) C(925) 117.9(6) yes
C(924) C(925) C(926) 120.3(5) yes
C(921) C(926) C(925) 120.2(6) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ge(1) O(3) 1.929(3) yes
Ge(1) O(1) 1.933(3) yes
Ge(1) O(2) 1.935(3) yes
Ge(1) K(1) 3.4071(10) yes
Ge(2) O(6) 1.927(3) yes
Ge(2) O(4) 1.932(3) yes
Ge(2) O(5) 1.938(3) yes
Ge(2) K(2) 3.4073(9) yes
K(1) O(2) 2.684(3) yes
K(1) O(3) 2.709(3) yes
K(1) O(1) 2.753(3) yes
K(1) C(162) 3.085(4) yes
K(1) C(266) 3.135(4) yes
K(1) C(163) 3.166(5) yes
K(1) C(261) 3.171(4) yes
K(1) C(326) 3.190(4) yes
K(1) C(321) 3.250(4) yes
K(1) C(265) 3.259(5) yes
K(1) C(262) 3.281(5) yes
K(1) C(325) 3.347(4) yes
K(2) O(6) 2.653(3) yes
K(2) O(5) 2.719(3) yes
K(2) O(4) 2.769(3) yes
K(2) C(462) 3.097(4) yes
K(2) C(526) 3.177(4) yes
K(2) C(525) 3.187(4) yes
K(2) C(522) 3.202(4) yes
K(2) C(521) 3.206(4) yes
K(2) C(524) 3.207(4) yes
K(2) C(463) 3.219(4) yes
K(2) C(523) 3.222(4) yes
K(2) C(621) 3.232(4) yes
O(1) C(11) 1.350(5) yes
O(2) C(21) 1.350(5) yes
O(3) C(31) 1.361(5) yes
O(4) C(41) 1.351(5) yes
O(5) C(51) 1.356(5) yes
O(6) C(61) 1.362(5) yes
C(11) C(16) 1.414(6) yes
C(11) C(12) 1.416(6) yes
C(12) C(13) 1.390(6) yes
C(12) C(121) 1.491(6) yes
C(13) C(14) 1.392(6) yes
C(14) C(15) 1.391(7) yes
C(15) C(16) 1.396(6) yes
C(16) C(161) 1.489(6) yes
C(21) C(26) 1.409(6) yes
C(21) C(22) 1.416(6) yes
C(22) C(23) 1.391(6) yes
C(22) C(221) 1.493(6) yes
C(23) C(24) 1.387(7) yes
C(24) C(25) 1.371(7) yes
C(25) C(26) 1.395(6) yes
C(26) C(261) 1.484(6) yes
C(31) C(32) 1.398(6) yes
C(31) C(36) 1.423(6) yes
C(32) C(33) 1.390(6) yes
C(32) C(321) 1.502(6) yes
C(33) C(34) 1.378(6) yes
C(34) C(35) 1.383(6) yes
C(35) C(36) 1.392(6) yes
C(36) C(361) 1.482(6) yes
C(41) C(42) 1.406(6) yes
C(41) C(46) 1.419(5) yes
C(42) C(43) 1.397(6) yes
C(42) C(421) 1.488(6) yes
C(43) C(44) 1.379(6) yes
C(44) C(45) 1.377(6) yes
C(45) C(46) 1.379(6) yes
C(46) C(461) 1.492(6) yes
C(51) C(52) 1.409(6) yes
C(51) C(56) 1.411(5) yes
C(52) C(53) 1.390(6) yes
C(52) C(521) 1.493(6) yes
C(53) C(54) 1.383(6) yes
C(54) C(55) 1.388(6) yes
C(55) C(56) 1.384(6) yes
C(56) C(561) 1.494(6) yes
C(61) C(62) 1.405(6) yes
C(61) C(66) 1.412(6) yes
C(62) C(63) 1.399(6) yes
C(62) C(621) 1.493(6) yes
C(63) C(64) 1.388(6) yes
C(64) C(65) 1.384(6) yes
C(65) C(66) 1.395(6) yes
C(66) C(661) 1.490(5) yes
C(121) C(122) 1.385(6) yes
C(121) C(126) 1.403(6) yes
C(122) C(123) 1.394(7) yes
C(123) C(124) 1.394(8) yes
C(124) C(125) 1.384(8) yes
C(125) C(126) 1.403(6) yes
C(161) C(166) 1.373(6) yes
C(161) C(162) 1.395(6) yes
C(162) C(163) 1.386(6) yes
C(163) C(164) 1.386(6) yes
C(164) C(165) 1.363(7) yes
C(165) C(166) 1.391(7) yes
C(221) C(226) 1.376(6) yes
C(221) C(222) 1.397(6) yes
C(222) C(223) 1.383(6) yes
C(223) C(224) 1.379(6) yes
C(224) C(225) 1.378(7) yes
C(225) C(226) 1.391(7) yes
C(261) C(266) 1.385(6) yes
C(261) C(262) 1.397(6) yes
C(262) C(263) 1.385(7) yes
C(263) C(264) 1.374(8) yes
C(264) C(265) 1.394(7) yes
C(265) C(266) 1.382(6) yes
C(321) C(322) 1.378(6) yes
C(321) C(326) 1.388(6) yes
C(322) C(323) 1.400(6) yes
C(323) C(324) 1.367(6) yes
C(324) C(325) 1.388(6) yes
C(325) C(326) 1.378(6) yes
C(361) C(366) 1.389(6) yes
C(361) C(362) 1.402(6) yes
C(362) C(363) 1.373(7) yes
C(363) C(364) 1.396(7) yes
C(364) C(365) 1.399(6) yes
C(365) C(366) 1.385(6) yes
C(421) C(426) 1.392(6) yes
C(421) C(422) 1.395(6) yes
C(422) C(423) 1.384(6) yes
C(423) C(424) 1.377(6) yes
C(424) C(425) 1.386(6) yes
C(425) C(426) 1.381(6) yes
C(461) C(466) 1.391(6) yes
C(461) C(462) 1.408(5) yes
C(462) C(463) 1.393(6) yes
C(463) C(464) 1.396(6) yes
C(464) C(465) 1.378(6) yes
C(465) C(466) 1.375(6) yes
C(521) C(526) 1.395(6) yes
C(521) C(522) 1.399(6) yes
C(522) C(523) 1.393(6) yes
C(523) C(524) 1.369(6) yes
C(524) C(525) 1.377(6) yes
C(525) C(526) 1.395(6) yes
C(561) C(566) 1.394(6) yes
C(561) C(562) 1.404(6) yes
C(562) C(563) 1.381(6) yes
C(563) C(564) 1.364(7) yes
C(564) C(565) 1.385(7) yes
C(565) C(566) 1.381(7) yes
C(621) C(626) 1.387(6) yes
C(621) C(622) 1.402(6) yes
C(622) C(623) 1.386(6) yes
C(623) C(624) 1.386(6) yes
C(624) C(625) 1.380(6) yes
C(625) C(626) 1.388(6) yes
C(661) C(666) 1.392(6) yes
C(661) C(662) 1.396(6) yes
C(662) C(663) 1.402(7) yes
C(663) C(664) 1.379(7) yes
C(664) C(665) 1.371(6) yes
C(665) C(666) 1.387(6) yes
C(911) C(916) 1.347(8) yes
C(911) C(912) 1.370(8) yes
C(912) C(913) 1.357(8) yes
C(913) C(914) 1.382(8) yes
C(914) C(915) 1.394(8) yes
C(915) C(916) 1.389(8) yes
C(921) C(926) 1.358(8) yes
C(921) C(922) 1.374(8) yes
C(922) C(923) 1.365(8) yes
C(923) C(924) 1.382(8) yes
C(924) C(925) 1.391(8) yes
C(925) C(926) 1.401(9) yes
