#------------------------------------------------------------------------------
#$Date: 2017-11-17 10:27:10 +0200 (Fri, 17 Nov 2017) $
#$Revision: 203259 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/80/1548076.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_1548076
loop_
_publ_author_name
'Stefan Mitzinger'
'Lies Broeckaert'
'Werner Massa'
'Florian Weigend'
'Stefanie Dehnen'
_publ_section_title
;
 Understanding of multimetallic cluster growth
;
_journal_name_full               'Nature Communications'
_journal_page_first              10480
_journal_paper_doi               10.1038/ncomms10480
_journal_volume                  7
_journal_year                    2016
_chemical_formula_moiety         '2(C18 H36 K N2 O6),As2 Ge7'
_chemical_formula_sum            'C36 H72 As2 Ge7 K2 N4 O12'
_chemical_formula_weight         1489.14
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_Hall           '-P 3 2"c'
_space_group_name_H-M_alt        'P -3 c 1'
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.8653(3)
_cell_length_b                   11.8653(3)
_cell_length_c                   22.3848(9)
_cell_measurement_reflns_used    9231
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.01
_cell_measurement_theta_min      1.82
_cell_volume                     2729.24(15)
_computing_cell_refinement       'XAREA 1.66 (Stoe 2013)'
_computing_data_collection       'XAREA 1.66 (Stoe 2013)'
_computing_data_reduction        'XAREA 1.66 (Stoe 2013)'
_computing_molecular_graphics    'DIAMOND 3.2i (Brandenburg 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR 2011 (Burla et al. 2011)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 6.7
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'IPDS-II (Stoe)'
_diffrn_measurement_method       omega-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0751
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3581
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.758
_diffrn_reflns_theta_min         1.819
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.212
_exptl_absorpt_correction_T_max  0.3636
_exptl_absorpt_correction_T_min  0.2065
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'Coppens et al. (1965)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_description       bloc
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1942
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.1090
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0300P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1048
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                783
_reflns_number_total             1942
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ncomms10480-s3.cif
_cod_data_source_block           shelx-2
_cod_original_cell_volume        2729.24(18)
_cod_database_code               1548076
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.81271(12) 0.81271(12) 0.7500 0.0859(5) Uani 0.5185 2 d S T P . .
As1 As 0.81271(12) 0.81271(12) 0.7500 0.0859(5) Uani 0.1482 2 d S T P . .
Ge2 Ge 0.7833(4) 1.0000 0.7500 0.1450(16) Uani 0.2591 2 d S T P . .
As2 As 0.7833(4) 1.0000 0.7500 0.1450(16) Uani 0.0741 2 d S T P . .
Ge3 Ge 0.8694(4) 1.0155(5) 0.6894(2) 0.1039(17) Uani 0.2592 1 d . . P . .
As3 As 0.8694(4) 1.0155(5) 0.6894(2) 0.1039(17) Uani 0.0741 1 d . . P . .
Ge4 Ge 0.9219(3) 0.9928(3) 0.66098(13) 0.1241(14) Uani 0.2592 1 d . . P . .
As4 As 0.9219(3) 0.9928(3) 0.66098(13) 0.1241(14) Uani 0.0741 1 d . . P . .
Ge5 Ge 0.8280(5) 0.9582(5) 0.6998(2) 0.138(2) Uani 0.2592 1 d . . P . .
As5 As 0.8280(5) 0.9582(5) 0.6998(2) 0.138(2) Uani 0.0741 1 d . . P . .
K1 K 0.3333 0.6667 0.45374(7) 0.0542(5) Uani 1 3 d S T P . .
N1 N 0.3333 0.6667 0.5839(3) 0.0555(17) Uani 1 3 d S T P . .
N2 N 0.3333 0.6667 0.3217(3) 0.0581(17) Uani 1 3 d S T P . .
C1 C 0.2554(5) 0.5306(4) 0.60427(19) 0.0606(13) Uani 1 1 d . . . . .
H1A H 0.1620 0.5021 0.5992 0.073 Uiso 1 1 calc R U . . .
H1B H 0.2713 0.5270 0.6475 0.073 Uiso 1 1 calc R U . . .
C2 C 0.2840(5) 0.4365(5) 0.5718(2) 0.0598(13) Uani 1 1 d . . . . .
H2A H 0.3763 0.4613 0.5777 0.072 Uiso 1 1 calc R U . . .
H2B H 0.2287 0.3475 0.5878 0.072 Uiso 1 1 calc R U . . .
O1 O 0.2583(3) 0.4390(3) 0.50968(13) 0.0540(8) Uani 1 1 d . . . . .
C3 C 0.2743(5) 0.3455(5) 0.4765(2) 0.0616(13) Uani 1 1 d . . . . .
H3A H 0.2025 0.2568 0.4859 0.074 Uiso 1 1 calc R U . . .
H3B H 0.3575 0.3506 0.4877 0.074 Uiso 1 1 calc R U . . .
C4 C 0.2743(5) 0.3719(5) 0.4108(2) 0.0635(14) Uani 1 1 d . . . . .
H4A H 0.2726 0.3005 0.3872 0.076 Uiso 1 1 calc R U . . .
H4B H 0.1965 0.3781 0.4003 0.076 Uiso 1 1 calc R U . . .
O2 O 0.3905(3) 0.4926(3) 0.39788(14) 0.0606(9) Uani 1 1 d . . . . .
C5 C 0.4203(5) 0.5150(5) 0.3346(2) 0.0645(14) Uani 1 1 d . . . . .
H5A H 0.4145 0.4358 0.3169 0.077 Uiso 1 1 calc R U . . .
H5B H 0.5112 0.5868 0.3300 0.077 Uiso 1 1 calc R U . . .
C6 C 0.3327(5) 0.5483(5) 0.3009(2) 0.0615(13) Uani 1 1 d . . . . .
H6A H 0.3583 0.5597 0.2583 0.074 Uiso 1 1 calc R U . . .
H6B H 0.2427 0.4740 0.3036 0.074 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
As As 0.0499 2.0058 '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'
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
Ge5 Ge1 As5 122.7(3) . 4_556
Ge5 Ge1 Ge5 122.7(3) . 4_556
As5 Ge1 Ge5 0.0(3) 4_556 4_556
Ge5 Ge1 As3 71.09(13) . 5_676
As5 Ge1 As3 78.17(12) 4_556 5_676
Ge5 Ge1 As3 78.17(12) 4_556 5_676
Ge5 Ge1 Ge3 71.09(13) . 5_676
As5 Ge1 Ge3 78.17(12) 4_556 5_676
Ge5 Ge1 Ge3 78.17(12) 4_556 5_676
As3 Ge1 Ge3 0.0(3) 5_676 5_676
Ge5 Ge1 As3 78.17(12) . 2_765
As5 Ge1 As3 71.09(13) 4_556 2_765
Ge5 Ge1 As3 71.09(13) 4_556 2_765
As3 Ge1 As3 113.0(2) 5_676 2_765
Ge3 Ge1 As3 113.0(2) 5_676 2_765
Ge5 Ge1 Ge3 78.17(12) . 2_765
As5 Ge1 Ge3 71.09(13) 4_556 2_765
Ge5 Ge1 Ge3 71.09(13) 4_556 2_765
As3 Ge1 Ge3 113.0(2) 5_676 2_765
Ge3 Ge1 Ge3 113.0(2) 5_676 2_765
As3 Ge1 Ge3 0.0(3) 2_765 2_765
Ge5 Ge1 Ge2 36.36(12) . .
As5 Ge1 Ge2 115.71(16) 4_556 .
Ge5 Ge1 Ge2 115.71(16) 4_556 .
As3 Ge1 Ge2 41.01(12) 5_676 .
Ge3 Ge1 Ge2 41.01(12) 5_676 .
As3 Ge1 Ge2 109.05(16) 2_765 .
Ge3 Ge1 Ge2 109.05(16) 2_765 .
Ge5 Ge1 Ge2 115.71(16) . 2_765
As5 Ge1 Ge2 36.36(12) 4_556 2_765
Ge5 Ge1 Ge2 36.36(12) 4_556 2_765
As3 Ge1 Ge2 109.05(16) 5_676 2_765
Ge3 Ge1 Ge2 109.05(16) 5_676 2_765
As3 Ge1 Ge2 41.01(12) 2_765 2_765
Ge3 Ge1 Ge2 41.01(12) 2_765 2_765
Ge2 Ge1 Ge2 134.37(18) . 2_765
Ge5 Ge1 As2 115.71(16) . 2_765
As5 Ge1 As2 36.36(12) 4_556 2_765
Ge5 Ge1 As2 36.36(12) 4_556 2_765
As3 Ge1 As2 109.05(16) 5_676 2_765
Ge3 Ge1 As2 109.05(16) 5_676 2_765
As3 Ge1 As2 41.01(12) 2_765 2_765
Ge3 Ge1 As2 41.01(12) 2_765 2_765
Ge2 Ge1 As2 134.37(18) . 2_765
Ge2 Ge1 As2 0.00(16) 2_765 2_765
Ge5 Ge2 As5 114.2(4) . 5_676
Ge5 Ge2 Ge5 114.2(4) . 5_676
As5 Ge2 Ge5 0.0(6) 5_676 5_676
Ge5 Ge2 As3 108.0(3) . 5_676
As5 Ge2 As3 23.0(3) 5_676 5_676
Ge5 Ge2 As3 23.0(3) 5_676 5_676
Ge5 Ge2 Ge3 108.0(3) . 5_676
As5 Ge2 Ge3 23.0(3) 5_676 5_676
Ge5 Ge2 Ge3 23.0(3) 5_676 5_676
As3 Ge2 Ge3 0.0(4) 5_676 5_676
Ge5 Ge2 Ge3 23.0(3) . .
As5 Ge2 Ge3 108.0(3) 5_676 .
Ge5 Ge2 Ge3 108.0(3) 5_676 .
As3 Ge2 Ge3 111.5(4) 5_676 .
Ge3 Ge2 Ge3 111.5(4) 5_676 .
Ge5 Ge2 As1 84.9(2) . 3_675
As5 Ge2 As1 55.4(2) 5_676 3_675
Ge5 Ge2 As1 55.4(2) 5_676 3_675
As3 Ge2 As1 74.7(2) 5_676 3_675
Ge3 Ge2 As1 74.7(2) 5_676 3_675
Ge3 Ge2 As1 65.4(2) . 3_675
Ge5 Ge2 Ge1 84.9(2) . 3_675
As5 Ge2 Ge1 55.4(2) 5_676 3_675
Ge5 Ge2 Ge1 55.4(2) 5_676 3_675
As3 Ge2 Ge1 74.7(2) 5_676 3_675
Ge3 Ge2 Ge1 74.7(2) 5_676 3_675
Ge3 Ge2 Ge1 65.4(2) . 3_675
As1 Ge2 Ge1 0.00(6) 3_675 3_675
Ge5 Ge2 Ge1 55.4(2) . .
As5 Ge2 Ge1 84.9(2) 5_676 .
Ge5 Ge2 Ge1 84.9(2) 5_676 .
As3 Ge2 Ge1 65.4(2) 5_676 .
Ge3 Ge2 Ge1 65.4(2) 5_676 .
Ge3 Ge2 Ge1 74.7(2) . .
As1 Ge2 Ge1 105.63(18) 3_675 .
Ge1 Ge2 Ge1 105.63(18) 3_675 .
Ge5 Ge3 Ge4 101.0(11) . .
Ge5 Ge3 Ge2 59.2(7) . .
Ge4 Ge3 Ge2 155.7(5) . .
Ge5 Ge3 As4 125.3(9) . 3_675
Ge4 Ge3 As4 37.5(3) . 3_675
Ge2 Ge3 As4 141.0(3) . 3_675
Ge5 Ge3 Ge4 125.3(9) . 3_675
Ge4 Ge3 Ge4 37.5(3) . 3_675
Ge2 Ge3 Ge4 141.0(3) . 3_675
As4 Ge3 Ge4 0.0(2) 3_675 3_675
Ge5 Ge3 As1 122.7(8) . 3_675
Ge4 Ge3 As1 112.1(4) . 3_675
Ge2 Ge3 As1 73.6(2) . 3_675
As4 Ge3 As1 74.61(17) 3_675 3_675
Ge4 Ge3 As1 74.61(17) 3_675 3_675
Ge5 Ge3 Ge1 122.7(8) . 3_675
Ge4 Ge3 Ge1 112.1(4) . 3_675
Ge2 Ge3 Ge1 73.6(2) . 3_675
As4 Ge3 Ge1 74.61(17) 3_675 3_675
Ge4 Ge3 Ge1 74.61(17) 3_675 3_675
As1 Ge3 Ge1 0.00(6) 3_675 3_675
Ge5 Ge3 As4 88.2(9) . 2_765
Ge4 Ge3 As4 23.9(2) . 2_765
Ge2 Ge3 As4 133.1(2) . 2_765
As4 Ge3 As4 38.57(15) 3_675 2_765
Ge4 Ge3 As4 38.57(15) 3_675 2_765
As1 Ge3 As4 103.56(18) 3_675 2_765
Ge1 Ge3 As4 103.56(18) 3_675 2_765
Ge5 Ge3 Ge4 88.2(9) . 2_765
Ge4 Ge3 Ge4 23.9(2) . 2_765
Ge2 Ge3 Ge4 133.1(2) . 2_765
As4 Ge3 Ge4 38.57(15) 3_675 2_765
Ge4 Ge3 Ge4 38.57(15) 3_675 2_765
As1 Ge3 Ge4 103.56(18) 3_675 2_765
Ge1 Ge3 Ge4 103.56(18) 3_675 2_765
As4 Ge3 Ge4 0.00(18) 2_765 2_765
Ge3 Ge4 Ge5 29.3(4) . .
Ge3 Ge4 As4 118.8(5) . 3_675
Ge5 Ge4 As4 136.6(2) . 3_675
Ge3 Ge4 Ge4 118.8(5) . 3_675
Ge5 Ge4 Ge4 136.6(2) . 3_675
As4 Ge4 Ge4 0.0(2) 3_675 3_675
Ge3 Ge4 As4 140.5(3) . 2_765
Ge5 Ge4 As4 120.8(3) . 2_765
As4 Ge4 As4 60.001(2) 3_675 2_765
Ge4 Ge4 As4 60.001(2) 3_675 2_765
Ge3 Ge4 Ge4 140.5(3) . 2_765
Ge5 Ge4 Ge4 120.8(3) . 2_765
As4 Ge4 Ge4 60.001(2) 3_675 2_765
Ge4 Ge4 Ge4 60.001(2) 3_675 2_765
As4 Ge4 Ge4 0.00(19) 2_765 2_765
Ge3 Ge4 As3 119.7(4) . 2_765
Ge5 Ge4 As3 97.2(3) . 2_765
As4 Ge4 As3 77.6(2) 3_675 2_765
Ge4 Ge4 As3 77.6(2) 3_675 2_765
As4 Ge4 As3 23.7(2) 2_765 2_765
Ge4 Ge4 As3 23.7(2) 2_765 2_765
Ge3 Ge4 Ge3 119.7(4) . 2_765
Ge5 Ge4 Ge3 97.2(3) . 2_765
As4 Ge4 Ge3 77.6(2) 3_675 2_765
Ge4 Ge4 Ge3 77.6(2) 3_675 2_765
As4 Ge4 Ge3 23.7(2) 2_765 2_765
Ge4 Ge4 Ge3 23.7(2) 2_765 2_765
As3 Ge4 Ge3 0.0(3) 2_765 2_765
Ge3 Ge4 As3 105.7(4) . 3_675
Ge5 Ge4 As3 121.1(2) . 3_675
As4 Ge4 As3 15.55(12) 3_675 3_675
Ge4 Ge4 As3 15.55(12) 3_675 3_675
As4 Ge4 As3 63.8(2) 2_765 3_675
Ge4 Ge4 As3 63.8(2) 2_765 3_675
As3 Ge4 As3 76.18(15) 2_765 3_675
Ge3 Ge4 As3 76.18(15) 2_765 3_675
Ge3 Ge4 Ge3 105.7(4) . 3_675
Ge5 Ge4 Ge3 121.1(2) . 3_675
As4 Ge4 Ge3 15.55(12) 3_675 3_675
Ge4 Ge4 Ge3 15.55(12) 3_675 3_675
As4 Ge4 Ge3 63.8(2) 2_765 3_675
Ge4 Ge4 Ge3 63.8(2) 2_765 3_675
As3 Ge4 Ge3 76.18(15) 2_765 3_675
Ge3 Ge4 Ge3 76.18(15) 2_765 3_675
As3 Ge4 Ge3 0.0(4) 3_675 3_675
Ge3 Ge5 Ge4 49.7(8) . .
Ge3 Ge5 Ge2 97.8(9) . .
Ge4 Ge5 Ge2 144.8(4) . .
Ge3 Ge5 Ge1 143.2(8) . .
Ge4 Ge5 Ge1 110.0(3) . .
Ge2 Ge5 Ge1 88.2(3) . .
Ge3 Ge5 As5 90.6(8) . 5_676
Ge4 Ge5 As5 121.6(3) . 5_676
Ge2 Ge5 As5 32.9(2) . 5_676
Ge1 Ge5 As5 75.0(3) . 5_676
Ge3 Ge5 Ge5 90.6(8) . 5_676
Ge4 Ge5 Ge5 121.6(3) . 5_676
Ge2 Ge5 Ge5 32.9(2) . 5_676
Ge1 Ge5 Ge5 75.0(3) . 5_676
As5 Ge5 Ge5 0.0(3) 5_676 5_676
Ge3 Ge5 As4 76.6(8) . 2_765
Ge4 Ge5 As4 32.2(2) . 2_765
Ge2 Ge5 As4 144.7(3) . 2_765
Ge1 Ge5 As4 77.82(17) . 2_765
As5 Ge5 As4 111.78(11) 5_676 2_765
Ge5 Ge5 As4 111.78(11) 5_676 2_765
Ge3 Ge5 Ge4 76.6(8) . 2_765
Ge4 Ge5 Ge4 32.2(2) . 2_765
Ge2 Ge5 Ge4 144.7(3) . 2_765
Ge1 Ge5 Ge4 77.82(17) . 2_765
As5 Ge5 Ge4 111.78(11) 5_676 2_765
Ge5 Ge5 Ge4 111.78(11) 5_676 2_765
As4 Ge5 Ge4 0.0(2) 2_765 2_765
O1 K1 O1 100.12(9) 3_565 2_665
O1 K1 O1 100.12(9) 3_565 .
O1 K1 O1 100.12(9) 2_665 .
O1 K1 O2 155.66(9) 3_565 .
O1 K1 O2 100.02(9) 2_665 .
O1 K1 O2 62.86(9) . .
O1 K1 O2 100.02(9) 3_565 2_665
O1 K1 O2 62.86(9) 2_665 2_665
O1 K1 O2 155.66(9) . 2_665
O2 K1 O2 101.25(9) . 2_665
O1 K1 O2 62.86(9) 3_565 3_565
O1 K1 O2 155.66(9) 2_665 3_565
O1 K1 O2 100.02(9) . 3_565
O2 K1 O2 101.25(9) . 3_565
O2 K1 O2 101.24(9) 2_665 3_565
O1 K1 N1 62.29(7) 3_565 .
O1 K1 N1 62.29(7) 2_665 .
O1 K1 N1 62.29(7) . .
O2 K1 N1 116.80(7) . .
O2 K1 N1 116.80(7) 2_665 .
O2 K1 N1 116.80(7) 3_565 .
O1 K1 N2 117.71(7) 3_565 .
O1 K1 N2 117.71(7) 2_665 .
O1 K1 N2 117.71(7) . .
O2 K1 N2 63.20(7) . .
O2 K1 N2 63.20(7) 2_665 .
O2 K1 N2 63.20(7) 3_565 .
N1 K1 N2 180.0 . .
O1 K1 C4 45.08(11) 3_565 3_565
O1 K1 C4 130.93(10) 2_665 3_565
O1 K1 C4 116.87(11) . 3_565
O2 K1 C4 124.58(11) . 3_565
O2 K1 C4 87.15(10) 2_665 3_565
O2 K1 C4 24.95(9) 3_565 3_565
N1 K1 C4 106.71(9) . 3_565
N2 K1 C4 73.29(9) . 3_565
O1 K1 C4 116.88(11) 3_565 2_665
O1 K1 C4 45.08(11) 2_665 2_665
O1 K1 C4 130.93(10) . 2_665
O2 K1 C4 87.15(10) . 2_665
O2 K1 C4 24.95(9) 2_665 2_665
O2 K1 C4 124.58(11) 3_565 2_665
N1 K1 C4 106.71(9) . 2_665
N2 K1 C4 73.29(9) . 2_665
C4 K1 C4 112.09(8) 3_565 2_665
O1 K1 C4 130.93(10) 3_565 .
O1 K1 C4 116.88(11) 2_665 .
O1 K1 C4 45.08(11) . .
O2 K1 C4 24.95(9) . .
O2 K1 C4 124.58(11) 2_665 .
O2 K1 C4 87.15(10) 3_565 .
N1 K1 C4 106.71(9) . .
N2 K1 C4 73.29(9) . .
C4 K1 C4 112.09(8) 3_565 .
C4 K1 C4 112.09(8) 2_665 .
C1 N1 C1 110.9(3) . 3_565
C1 N1 C1 110.9(3) . 2_665
C1 N1 C1 110.9(3) 3_565 2_665
C1 N1 K1 108.0(3) . .
C1 N1 K1 108.0(3) 3_565 .
C1 N1 K1 108.0(3) 2_665 .
C6 N2 C6 110.5(3) 2_665 .
C6 N2 C6 110.5(3) 2_665 3_565
C6 N2 C6 110.5(3) . 3_565
C6 N2 K1 108.4(3) 2_665 .
C6 N2 K1 108.4(3) . .
C6 N2 K1 108.4(3) 3_565 .
N1 C1 C2 114.3(4) . .
N1 C1 H1A 108.7 . .
C2 C1 H1A 108.7 . .
N1 C1 H1B 108.7 . .
C2 C1 H1B 108.7 . .
H1A C1 H1B 107.6 . .
O1 C2 C1 109.0(4) . .
O1 C2 H2A 109.9 . .
C1 C2 H2A 109.9 . .
O1 C2 H2B 109.9 . .
C1 C2 H2B 109.9 . .
H2A C2 H2B 108.3 . .
C3 O1 C2 112.2(3) . .
C3 O1 K1 115.6(2) . .
C2 O1 K1 120.5(3) . .
O1 C3 C4 109.5(4) . .
O1 C3 H3A 109.8 . .
C4 C3 H3A 109.8 . .
O1 C3 H3B 109.8 . .
C4 C3 H3B 109.8 . .
H3A C3 H3B 108.2 . .
O2 C4 C3 107.7(4) . .
O2 C4 K1 54.6(2) . .
C3 C4 K1 85.1(3) . .
O2 C4 H4A 110.2 . .
C3 C4 H4A 110.2 . .
K1 C4 H4A 162.2 . .
O2 C4 H4B 110.2 . .
C3 C4 H4B 110.2 . .
K1 C4 H4B 72.9 . .
H4A C4 H4B 108.5 . .
C4 O2 C5 113.8(3) . .
C4 O2 K1 100.5(2) . .
C5 O2 K1 115.6(3) . .
O2 C5 C6 113.9(4) . .
O2 C5 H5A 108.8 . .
C6 C5 H5A 108.8 . .
O2 C5 H5B 108.8 . .
C6 C5 H5B 108.8 . .
H5A C5 H5B 107.7 . .
N2 C6 C5 114.8(4) . .
N2 C6 H6A 108.6 . .
C5 C6 H6A 108.6 . .
N2 C6 H6B 108.6 . .
C5 C6 H6B 108.6 . .
H6A C6 H6B 107.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 Ge5 1.991(5) .
Ge1 As5 1.991(5) 4_556
Ge1 Ge5 1.991(5) 4_556
Ge1 As3 2.288(6) 5_676
Ge1 Ge3 2.288(6) 5_676
Ge1 As3 2.288(6) 2_765
Ge1 Ge3 2.288(6) 2_765
Ge1 Ge2 2.416(3) .
Ge1 Ge2 2.416(3) 2_765
Ge1 As2 2.416(3) 2_765
Ge2 Ge5 1.433(5) .
Ge2 As5 1.433(5) 5_676
Ge2 Ge5 1.433(5) 5_676
Ge2 As3 1.652(6) 5_676
Ge2 Ge3 1.652(6) 5_676
Ge2 Ge3 1.652(6) .
Ge2 As1 2.416(3) 3_675
Ge2 Ge1 2.416(3) 3_675
Ge3 Ge5 0.651(7) .
Ge3 Ge4 1.015(6) .
Ge3 As4 2.213(6) 3_675
Ge3 Ge4 2.213(6) 3_675
Ge3 As1 2.288(6) 3_675
Ge3 Ge1 2.288(6) 3_675
Ge3 As4 2.410(7) 2_765
Ge3 Ge4 2.410(7) 2_765
Ge4 Ge5 1.306(6) .
Ge4 As4 1.538(7) 3_675
Ge4 Ge4 1.538(7) 3_675
Ge4 As4 1.538(7) 2_765
Ge4 Ge4 1.538(7) 2_765
Ge4 As3 2.213(6) 2_765
Ge4 Ge3 2.213(6) 2_765
Ge4 As3 2.410(7) 3_675
Ge4 Ge3 2.410(7) 3_675
Ge5 As5 2.406(8) 5_676
Ge5 Ge5 2.406(8) 5_676
Ge5 As4 2.476(5) 2_765
Ge5 Ge4 2.476(5) 2_765
K1 O1 2.693(3) 3_565
K1 O1 2.693(3) 2_665
K1 O1 2.693(3) .
K1 O2 2.773(3) .
K1 O2 2.773(3) 2_665
K1 O2 2.773(3) 3_565
K1 N1 2.913(6) .
K1 N2 2.955(7) .
K1 C4 3.346(5) 3_565
K1 C4 3.346(5) 2_665
K1 C4 3.346(5) .
N1 C1 1.476(5) .
N1 C1 1.476(5) 3_565
N1 C1 1.476(5) 2_665
N2 C6 1.477(5) 2_665
N2 C6 1.477(5) .
N2 C6 1.477(5) 3_565
C1 C2 1.507(6) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 O1 1.426(5) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
O1 C3 1.424(5) .
C3 C4 1.505(6) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 O2 1.435(5) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
O2 C5 1.451(5) .
C5 C6 1.489(6) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
