#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:48:18 +0300 (Wed, 05 May 2021) $
#$Revision: 264908 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/25/7242572.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_7242572
loop_
_publ_author_name
'Shen, Qingbo'
'Gómez-García, Carlos J.'
'Sun, Wenlong'
'Lai, Xiaoyong'
'Pang, Haijun'
'Ma, Huiyuan'
_publ_section_title
;
 Improving the photocatalytic H2 evolution activity of Keggin
 polyoxometalates anchoring copper-azole complexes
;
_journal_issue                   8
_journal_name_full               'Green Chemistry'
_journal_page_first              3104
_journal_page_last               3114
_journal_paper_doi               10.1039/D1GC00692D
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C36 H32 Cu5 W12 N30 O44 Ge'
_chemical_formula_sum            'C36 H32 Cu5 Ge N30 O44 W12'
_chemical_formula_weight         4121.2675
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2020-08-16 deposited with the CCDC.	2021-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                104.873(5)
_cell_angle_beta                 111.480(5)
_cell_angle_gamma                105.681(5)
_cell_formula_units_Z            1
_cell_length_a                   12.203(5)
_cell_length_b                   13.495(5)
_cell_length_c                   14.262(5)
_cell_measurement_reflns_used    2906
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.58
_cell_measurement_theta_min      2.46
_cell_volume                     1931.3(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11292
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    19.624
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1883
_refine_diff_density_max         3.276
_refine_diff_density_min         -3.251
_refine_diff_density_rms         0.425
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     616
_refine_ls_number_reflns         6968
_refine_ls_number_restraints     918
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.1124
_refine_ls_R_factor_gt           0.0934
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+400.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1908
_refine_ls_wR_factor_ref         0.2006
_reflns_number_gt                5720
_reflns_number_total             6968
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1gc00692d2.cif
_cod_data_source_block           sqb1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7242571--7242572.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C36 H32 Cu5 W12 N30 O44 Ge'
_cod_database_code               7242572
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge Ge 1.0000 -1.5000 -2.0000 0.0202(8) Uani 1 2 d S . .
W1 W 0.69784(11) -1.69745(9) -2.22296(10) 0.0277(3) Uani 1 1 d . . .
W2 W 0.84427(11) -1.75769(9) -1.99112(9) 0.0255(3) Uani 1 1 d . . .
W3 W 1.14740(14) -1.56214(12) -1.77010(10) 0.0344(3) Uani 1 1 d U . .
W4 W 0.71759(12) -1.55042(12) -1.96755(11) 0.0367(3) Uani 1 1 d . . .
W5 W 0.97910(17) -1.64570(10) -2.25510(11) 0.0454(4) Uani 1 1 d . . .
W6 W 1.12440(15) -1.70742(11) -2.02692(11) 0.0444(4) Uani 1 1 d U . .
Cu1 Cu 0.4670(3) -1.9517(3) -1.6269(3) 0.0255(7) Uani 1 1 d . . .
Cu2 Cu 0.6501(3) -1.4437(3) -1.5311(3) 0.0233(7) Uani 1 1 d . . .
Cu3 Cu 1.0000 -1.0000 -1.5000 0.0369(13) Uani 1 2 d S . .
N1 N 0.864(3) -1.226(2) -1.477(2) 0.036(6) Uani 1 1 d . . .
N2 N 0.758(3) -1.309(2) -1.541(2) 0.032(6) Uani 1 1 d . . .
N3 N 0.703(3) -1.299(2) -1.642(2) 0.040(7) Uani 1 1 d . . .
N4 N 0.862(2) -1.0403(19) -1.6523(19) 0.027(5) Uani 1 1 d . . .
N5 N 0.736(2) -1.540(2) -1.579(2) 0.029(5) Uani 1 1 d U . .
N6 N 0.5530(17) -1.5875(15) -1.5289(14) 0.007(4) Uani 1 1 d U . .
N7 N 0.450(2) -1.6356(18) -1.5140(17) 0.020(5) Uani 1 1 d . . .
N8 N 0.520(2) -1.7627(18) -1.5552(19) 0.022(5) Uani 1 1 d . . .
N9 N 0.297(2) -1.9549(19) -1.7240(18) 0.026(5) Uani 1 1 d . . .
N10 N 0.634(2) -1.9898(18) -1.4424(18) 0.020(5) Uani 1 1 d . . .
N11 N 0.623(2) -1.9593(17) -1.5266(18) 0.022(5) Uani 1 1 d . . .
N12 N 0.735(3) -1.938(2) -1.532(2) 0.037(6) Uani 1 1 d U . .
N13 N 0.817(2) -1.9542(19) -1.455(2) 0.026(5) Uani 1 1 d . . .
N14 N 0.433(2) -1.7398(17) -1.5274(16) 0.015(4) Uani 1 1 d U . .
N15 N 0.884(2) -1.1536(19) -1.526(2) 0.029(5) Uani 1 1 d U . .
C1 C 0.854(3) -0.970(3) -1.706(3) 0.039(4) Uani 1 1 d U . .
H1A H 0.9171 -0.8974 -1.6732 0.047 Uiso 1 1 calc R . .
C2 C 0.753(3) -1.008(3) -1.811(3) 0.042(5) Uani 1 1 d U . .
H2A H 0.7496 -0.9624 -1.8496 0.050 Uiso 1 1 calc R . .
C3 C 0.658(3) -1.112(3) -1.855(3) 0.043(4) Uani 1 1 d U . .
H3A H 0.5883 -1.1346 -1.9231 0.052 Uiso 1 1 calc R . .
C4 C 0.661(3) -1.188(3) -1.803(3) 0.043(4) Uani 1 1 d U . .
H4A H 0.5993 -1.2614 -1.8347 0.051 Uiso 1 1 calc R . .
C5 C 0.828(3) -1.511(3) -1.609(3) 0.037(4) Uani 1 1 d U . .
H5A H 0.8531 -1.4409 -1.6127 0.044 Uiso 1 1 calc R . .
C6 C 0.888(3) -1.580(3) -1.636(3) 0.040(4) Uani 1 1 d U . .
H6A H 0.9531 -1.5565 -1.6548 0.048 Uiso 1 1 calc R . .
C7 C 0.847(3) -1.684(3) -1.634(3) 0.037(4) Uani 1 1 d U . .
H7A H 0.8812 -1.7336 -1.6562 0.045 Uiso 1 1 calc R . .
C8 C 0.756(3) -1.717(3) -1.600(3) 0.036(4) Uani 1 1 d U . .
H8A H 0.7322 -1.7848 -1.5928 0.044 Uiso 1 1 calc R . .
C9 C 0.701(3) -1.641(3) -1.577(3) 0.036(3) Uani 1 1 d U . .
C10 C 0.085(3) -1.997(3) -1.754(3) 0.036(4) Uani 1 1 d U . .
H10A H 0.0186 -2.0290 -1.7389 0.044 Uiso 1 1 calc R . .
C11 C 0.064(3) -1.952(3) -1.836(3) 0.038(5) Uani 1 1 d U . .
H11A H -0.0149 -1.9502 -1.8736 0.046 Uiso 1 1 calc R . .
C12 C 0.159(3) -1.914(3) -1.861(3) 0.036(4) Uani 1 1 d U . .
H12A H 0.1454 -1.8842 -1.9135 0.043 Uiso 1 1 calc R . .
C13 C 0.274(3) -1.919(3) -1.810(3) 0.037(4) Uani 1 1 d U . .
H13A H 0.3369 -1.8980 -1.8315 0.044 Uiso 1 1 calc R . .
C14 C 0.758(3) -1.979(2) -1.397(2) 0.025(6) Uani 1 1 d U . .
C15 C 0.596(3) -1.666(2) -1.555(2) 0.030(4) Uani 1 1 d U . .
C16 C 0.205(3) -1.988(3) -1.698(3) 0.033(4) Uani 1 1 d U . .
C17 C 0.767(3) -1.143(3) -1.700(3) 0.040(4) Uani 1 1 d U . .
C18 C 0.779(3) -1.205(3) -1.630(3) 0.039(4) Uani 1 1 d U . .
O1 O 0.743(3) -1.784(2) -2.140(2) 0.062(3) Uani 1 1 d U . .
OW1 O 0.5133(18) -1.9878(19) -1.7508(18) 0.040(6) Uani 1 1 d . . .
O2 O 0.651(3) -1.624(2) -2.119(2) 0.062(3) Uani 1 1 d U . .
OW2 O 0.499(2) -1.514(2) -1.730(2) 0.058(6) Uani 1 1 d U . .
O3 O 0.809(3) -1.725(2) -2.279(2) 0.062(3) Uani 1 1 d U . .
OW3 O 0.463(4) -1.102(4) -2.111(3) 0.041(12) Uani 0.50 1 d P . .
O4 O 0.581(3) -1.581(2) -1.956(2) 0.059(5) Uani 1 1 d U . .
OW4 O 0.464(5) -1.725(5) -1.863(4) 0.054(7) Uani 0.50 1 d PU . .
O5 O 1.029(3) -1.732(2) -2.173(2) 0.066(3) Uani 1 1 d U . .
O6 O 1.086(5) -1.559(5) -2.057(4) 0.058(3) Uani 0.50 1 d PU . .
O7 O 1.184(2) -1.806(2) -2.036(2) 0.049(5) Uani 1 1 d U . .
O8 O 1.191(3) -1.640(2) -1.871(2) 0.060(3) Uani 1 1 d U . .
O9 O 0.772(3) -1.877(2) -1.984(2) 0.067(6) Uani 1 1 d U . .
O10 O 0.861(5) -1.598(5) -2.035(5) 0.061(3) Uani 0.50 1 d PU . .
O11 O 0.976(2) -1.7092(19) -2.375(2) 0.045(5) Uani 1 1 d U . .
O12 O 0.554(3) -1.792(2) -2.324(2) 0.065(6) Uani 1 1 d U . .
O13 O 1.217(2) -1.592(2) -1.661(2) 0.049(5) Uani 1 1 d U . .
O14 O 1.083(3) -1.466(2) -1.710(2) 0.062(3) Uani 1 1 d U . .
O15 O 0.758(3) -1.675(2) -1.948(2) 0.062(3) Uani 1 1 d U . .
O16 O 0.846(3) -1.465(2) -1.822(2) 0.064(3) Uani 1 1 d U . .
O17 O 0.751(3) -1.419(2) -1.994(2) 0.069(4) Uani 1 1 d U . .
O18 O 0.712(3) -1.573(2) -2.266(2) 0.062(3) Uani 1 1 d U . .
O19 O 0.981(3) -1.675(2) -1.846(2) 0.064(3) Uani 1 1 d U . .
O20 O 0.963(3) -1.787(2) -2.035(2) 0.063(3) Uani 1 1 d U . .
O21 O 1.104(5) -1.439(5) -1.854(4) 0.059(3) Uani 0.50 1 d PU . .
O22 O 1.010(5) -1.610(5) -1.960(4) 0.060(3) Uani 0.50 1 d PU . .
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'
Cu Cu 0.3201 1.2651 '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'
W W -0.8490 6.8722 '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
_geom_angle_publ_flag
O10 Ge O10 180.000(10) . 2_721 ?
O10 Ge O22 65(3) . . ?
O10 Ge O22 115(3) 2_721 . ?
O10 Ge O22 115(3) . 2_721 ?
O10 Ge O22 65(3) 2_721 2_721 ?
O22 Ge O22 180.00(5) . 2_721 ?
O10 Ge O6 70(3) . 2_721 ?
O10 Ge O6 110(3) 2_721 2_721 ?
O22 Ge O6 107(3) . 2_721 ?
O22 Ge O6 73(3) 2_721 2_721 ?
O10 Ge O6 110(3) . . ?
O10 Ge O6 70(3) 2_721 . ?
O22 Ge O6 73(3) . . ?
O22 Ge O6 107(3) 2_721 . ?
O6 Ge O6 180(3) 2_721 . ?
O10 Ge O21 112(3) . . ?
O10 Ge O21 68(3) 2_721 . ?
O22 Ge O21 73(3) . . ?
O22 Ge O21 107(3) 2_721 . ?
O6 Ge O21 76(2) 2_721 . ?
O6 Ge O21 104(3) . . ?
O10 Ge O21 68(3) . 2_721 ?
O10 Ge O21 112(3) 2_721 2_721 ?
O22 Ge O21 107(3) . 2_721 ?
O22 Ge O21 73(3) 2_721 2_721 ?
O6 Ge O21 104(3) 2_721 2_721 ?
O6 Ge O21 76(2) . 2_721 ?
O21 Ge O21 180.00(5) . 2_721 ?
O12 W1 O3 101.9(14) . . ?
O12 W1 O18 100.5(13) . . ?
O3 W1 O18 87.5(12) . . ?
O12 W1 O1 99.8(13) . . ?
O3 W1 O1 87.6(12) . . ?
O18 W1 O1 159.7(13) . . ?
O12 W1 O2 101.5(14) . . ?
O3 W1 O2 156.6(13) . . ?
O18 W1 O2 87.4(12) . . ?
O1 W1 O2 89.3(12) . . ?
O12 W1 O21 156.4(17) . 2_721 ?
O3 W1 O21 63.0(17) . 2_721 ?
O18 W1 O21 62.8(17) . 2_721 ?
O1 W1 O21 97.5(17) . 2_721 ?
O2 W1 O21 94.5(17) . 2_721 ?
O12 W1 O10 154.4(18) . . ?
O3 W1 O10 96.0(17) . . ?
O18 W1 O10 98.5(17) . . ?
O1 W1 O10 62.4(16) . . ?
O2 W1 O10 62.3(16) . . ?
O21 W1 O10 49.2(19) 2_721 . ?
O9 W2 O15 99.9(14) . . ?
O9 W2 O20 102.7(14) . . ?
O15 W2 O20 157.4(13) . . ?
O9 W2 O1 102.3(14) . . ?
O15 W2 O1 90.1(12) . . ?
O20 W2 O1 85.9(12) . . ?
O9 W2 O19 101.6(13) . . ?
O15 W2 O19 86.0(13) . . ?
O20 W2 O19 88.7(13) . . ?
O1 W2 O19 156.1(13) . . ?
O9 W2 O22 156.4(18) . . ?
O15 W2 O22 95.4(17) . . ?
O20 W2 O22 63.0(17) . . ?
O1 W2 O22 95.5(17) . . ?
O19 W2 O22 61.5(17) . . ?
O9 W2 O10 157.1(18) . . ?
O15 W2 O10 64.3(16) . . ?
O20 W2 O10 94.3(17) . . ?
O1 W2 O10 63.3(16) . . ?
O19 W2 O10 93.9(17) . . ?
O22 W2 O10 46(2) . . ?
O13 W3 O19 102.5(13) . . ?
O13 W3 O14 98.8(12) . . ?
O19 W3 O14 88.1(12) . . ?
O13 W3 O8 101.7(12) . . ?
O19 W3 O8 90.1(12) . . ?
O14 W3 O8 159.3(12) . . ?
O13 W3 O18 99.3(12) . 2_721 ?
O19 W3 O18 158.0(13) . 2_721 ?
O14 W3 O18 85.4(12) . 2_721 ?
O8 W3 O18 88.7(12) . 2_721 ?
O13 W3 O21 153.1(17) . . ?
O19 W3 O21 97.5(17) . . ?
O14 W3 O21 63.9(16) . . ?
O8 W3 O21 96.0(16) . . ?
O18 W3 O21 60.8(16) 2_721 . ?
O13 W3 O22 154.2(16) . . ?
O19 W3 O22 58.3(16) . . ?
O14 W3 O22 97.6(16) . . ?
O8 W3 O22 64.3(16) . . ?
O18 W3 O22 101.8(16) 2_721 . ?
O21 W3 O22 52.6(19) . . ?
O4 W4 O16 102.9(13) . . ?
O4 W4 O2 100.8(13) . . ?
O16 W4 O2 156.3(13) . . ?
O4 W4 O17 108.4(13) . . ?
O16 W4 O17 88.2(13) . . ?
O2 W4 O17 84.7(13) . . ?
O4 W4 O15 99.6(13) . . ?
O16 W4 O15 86.2(12) . . ?
O2 W4 O15 89.5(12) . . ?
O17 W4 O15 152.0(13) . . ?
O4 W4 O6 157.7(17) . 2_721 ?
O16 W4 O6 63.7(16) . 2_721 ?
O2 W4 O6 93.8(16) . 2_721 ?
O17 W4 O6 56.0(17) . 2_721 ?
O15 W4 O6 97.3(16) . 2_721 ?
O4 W4 O10 153.4(18) . . ?
O16 W4 O10 95.4(17) . . ?
O2 W4 O10 62.2(16) . . ?
O17 W4 O10 91.1(17) . . ?
O15 W4 O10 62.2(16) . . ?
O6 W4 O10 48.9(19) 2_721 . ?
O11 W5 O5 103.6(12) . . ?
O11 W5 O3 103.5(12) . . ?
O5 W5 O3 85.5(13) . . ?
O11 W5 O16 98.7(12) . 2_721 ?
O5 W5 O16 89.8(13) . 2_721 ?
O3 W5 O16 157.8(12) . 2_721 ?
O11 W5 O14 98.8(12) . 2_721 ?
O5 W5 O14 157.3(12) . 2_721 ?
O3 W5 O14 85.6(12) . 2_721 ?
O16 W5 O14 90.6(12) 2_721 2_721 ?
O11 W5 O21 153.7(17) . 2_721 ?
O5 W5 O21 95.6(16) . 2_721 ?
O3 W5 O21 59.8(16) . 2_721 ?
O16 W5 O21 99.2(17) 2_721 2_721 ?
O14 W5 O21 62.0(15) 2_721 2_721 ?
O11 W5 O6 151.7(16) . . ?
O5 W5 O6 60.7(16) . . ?
O3 W5 O6 98.7(16) . . ?
O16 W5 O6 60.5(16) 2_721 . ?
O14 W5 O6 100.2(15) 2_721 . ?
O21 W5 O6 54.4(19) 2_721 . ?
O7 W6 O17 105.8(14) . 2_721 ?
O7 W6 O5 103.2(13) . . ?
O17 W6 O5 90.8(13) 2_721 . ?
O7 W6 O20 101.3(13) . . ?
O17 W6 O20 152.8(13) 2_721 . ?
O5 W6 O20 86.1(13) . . ?
O7 W6 O8 99.8(12) . . ?
O17 W6 O8 84.7(13) 2_721 . ?
O5 W6 O8 156.9(12) . . ?
O20 W6 O8 87.7(12) . . ?
O7 W6 O6 155.8(17) . . ?
O17 W6 O6 56.6(17) 2_721 . ?
O5 W6 O6 64.0(16) . . ?
O20 W6 O6 98.3(17) . . ?
O8 W6 O6 95.1(16) . . ?
O7 W6 O22 152.1(16) . . ?
O17 W6 O22 95.0(17) 2_721 . ?
O5 W6 O22 94.8(16) . . ?
O20 W6 O22 58.4(16) . . ?
O8 W6 O22 63.2(15) . . ?
O6 W6 O22 52.1(19) . . ?
N11 Cu1 N10 93.2(9) . 2_612 ?
N11 Cu1 N9 173.9(10) . . ?
N10 Cu1 N9 81.0(9) 2_612 . ?
N11 Cu1 OW1 90.9(8) . . ?
N10 Cu1 OW1 146.5(10) 2_612 . ?
N9 Cu1 OW1 93.1(9) . . ?
N11 Cu1 N8 100.5(8) . . ?
N10 Cu1 N8 103.2(8) 2_612 . ?
N9 Cu1 N8 82.6(9) . . ?
OW1 Cu1 N8 108.7(9) . . ?
N7 Cu2 N6 94.4(8) 2_622 . ?
N7 Cu2 N2 92.3(10) 2_622 . ?
N6 Cu2 N2 173.2(9) . . ?
N7 Cu2 N5 173.4(10) 2_622 . ?
N6 Cu2 N5 79.1(9) . . ?
N2 Cu2 N5 94.2(10) . . ?
N15 Cu3 N15 180.000(6) . 2_732 ?
N15 Cu3 N4 98.6(10) . 2_732 ?
N15 Cu3 N4 81.4(10) 2_732 2_732 ?
N15 Cu3 N4 81.4(10) . . ?
N15 Cu3 N4 98.6(10) 2_732 . ?
N4 Cu3 N4 180.000(12) 2_732 . ?
N2 N1 N15 110(2) . . ?
N1 N2 N3 109(2) . . ?
N1 N2 Cu2 136(2) . . ?
N3 N2 Cu2 114(2) . . ?
C18 N3 N2 106(3) . . ?
C17 N4 C1 119(3) . . ?
C17 N4 Cu3 116(2) . . ?
C1 N4 Cu3 125(2) . . ?
C9 N5 C5 117(3) . . ?
C9 N5 Cu2 117(2) . . ?
C5 N5 Cu2 126(2) . . ?
C15 N6 N7 107(2) . . ?
C15 N6 Cu2 112.8(17) . . ?
N7 N6 Cu2 140.3(14) . . ?
N14 N7 N6 109(2) . . ?
N14 N7 Cu2 125.9(17) . 2_622 ?
N6 N7 Cu2 125.0(15) . 2_622 ?
N14 N8 C15 107(2) . . ?
N14 N8 Cu1 111.8(15) . . ?
C15 N8 Cu1 139.0(19) . . ?
C16 N9 C13 119(3) . . ?
C16 N9 Cu1 115.3(19) . . ?
C13 N9 Cu1 125(2) . . ?
N11 N10 C14 103(2) . . ?
N11 N10 Cu1 142.1(17) . 2_612 ?
C14 N10 Cu1 114.9(18) . 2_612 ?
N10 N11 N12 109(2) . . ?
N10 N11 Cu1 124.5(17) . . ?
N12 N11 Cu1 126.4(18) . . ?
N13 N12 N11 110(2) . . ?
N12 N13 C14 104(2) . . ?
N7 N14 N8 109(2) . . ?
N1 N15 C18 105(2) . . ?
N1 N15 Cu3 143(2) . . ?
C18 N15 Cu3 111.8(19) . . ?
N4 C1 C2 120(3) . . ?
C3 C2 C1 120(3) . . ?
C2 C3 C4 123(3) . . ?
C17 C4 C3 113(3) . . ?
N5 C5 C6 123(3) . . ?
C7 C6 C5 117(3) . . ?
C6 C7 C8 122(3) . . ?
C7 C8 C9 116(3) . . ?
N5 C9 C8 125(3) . . ?
N5 C9 C15 111(3) . . ?
C8 C9 C15 124(3) . . ?
C16 C10 C11 116(3) . . ?
C12 C11 C10 120(3) . . ?
C11 C12 C13 121(3) . . ?
C12 C13 N9 119(3) . . ?
N13 C14 N10 113(2) . . ?
N13 C14 C16 132(3) . 2_612 ?
N10 C14 C16 114(3) . 2_612 ?
N6 C15 N8 109(2) . . ?
N6 C15 C9 120(3) . . ?
N8 C15 C9 132(3) . . ?
N9 C16 C10 124(3) . . ?
N9 C16 C14 115(3) . 2_612 ?
C10 C16 C14 121(3) . 2_612 ?
N4 C17 C4 126(3) . . ?
N4 C17 C18 114(3) . . ?
C4 C17 C18 120(3) . . ?
N3 C18 N15 110(3) . . ?
N3 C18 C17 132(3) . . ?
N15 C18 C17 117(3) . . ?
W2 O1 W1 137.3(16) . . ?
W4 O2 W1 140.0(16) . . ?
W1 O3 W5 137.5(16) . . ?
W6 O5 W5 137.9(16) . . ?
Ge O6 W6 121(3) . . ?
Ge O6 W4 121(3) . 2_721 ?
W6 O6 W4 101(2) . 2_721 ?
Ge O6 W5 115(3) . . ?
W6 O6 W5 97(2) . . ?
W4 O6 W5 98(2) 2_721 . ?
W3 O8 W6 137.8(15) . . ?
Ge O10 O22 60(3) . . ?
Ge O10 W2 123(3) . . ?
O22 O10 W2 63(2) . . ?
Ge O10 W1 121(3) . . ?
O22 O10 W1 131(3) . . ?
W2 O10 W1 96(2) . . ?
Ge O10 W4 120(3) . . ?
O22 O10 W4 129(3) . . ?
W2 O10 W4 95(2) . . ?
W1 O10 W4 95(2) . . ?
W3 O14 W5 136.3(16) . 2_721 ?
W2 O15 W4 137.7(16) . . ?
W4 O16 W5 138.1(16) . 2_721 ?
W6 O17 W4 145.3(18) 2_721 . ?
W1 O18 W3 135.0(16) . 2_721 ?
W3 O19 W2 139.9(17) . . ?
W2 O20 W6 139.2(16) . . ?
Ge O21 W1 122(3) . 2_721 ?
Ge O21 W3 117(3) . . ?
W1 O21 W3 101(2) 2_721 . ?
Ge O21 W5 115(3) . 2_721 ?
W1 O21 W5 100(2) 2_721 2_721 ?
W3 O21 W5 98(2) . 2_721 ?
Ge O22 O10 55(2) . . ?
Ge O22 W2 126(3) . . ?
O10 O22 W2 71(3) . . ?
Ge O22 W3 117(3) . . ?
O10 O22 W3 135(3) . . ?
W2 O22 W3 99(2) . . ?
Ge O22 W6 115(3) . . ?
O10 O22 W6 130(3) . . ?
W2 O22 W6 99(2) . . ?
W3 O22 W6 94.6(19) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge O10 1.65(6) . ?
Ge O10 1.65(6) 2_721 ?
Ge O22 1.74(6) . ?
Ge O22 1.74(6) 2_721 ?
Ge O6 1.77(5) 2_721 ?
Ge O6 1.77(5) . ?
Ge O21 1.81(6) . ?
Ge O21 1.81(6) 2_721 ?
W1 O12 1.66(3) . ?
W1 O3 1.88(3) . ?
W1 O18 1.91(3) . ?
W1 O1 1.92(3) . ?
W1 O2 1.92(3) . ?
W1 O21 2.25(6) 2_721 ?
W1 O10 2.40(6) . ?
W2 O9 1.66(3) . ?
W2 O15 1.87(3) . ?
W2 O20 1.88(3) . ?
W2 O1 1.90(3) . ?
W2 O19 1.90(3) . ?
W2 O22 2.23(6) . ?
W2 O10 2.37(6) . ?
W3 O13 1.68(2) . ?
W3 O19 1.87(3) . ?
W3 O14 1.87(3) . ?
W3 O8 1.89(3) . ?
W3 O18 1.93(3) 2_721 ?
W3 O21 2.34(5) . ?
W3 O22 2.40(6) . ?
W4 O4 1.68(3) . ?
W4 O16 1.87(3) . ?
W4 O2 1.87(3) . ?
W4 O17 1.87(3) . ?
W4 O15 1.93(3) . ?
W4 O6 2.30(6) 2_721 ?
W4 O10 2.43(6) . ?
W5 O11 1.68(2) . ?
W5 O5 1.91(3) . ?
W5 O3 1.92(3) . ?
W5 O16 1.93(3) 2_721 ?
W5 O14 1.96(3) 2_721 ?
W5 O21 2.38(5) 2_721 ?
W5 O6 2.42(5) . ?
W6 O7 1.68(2) . ?
W6 O17 1.83(3) 2_721 ?
W6 O5 1.87(3) . ?
W6 O20 1.91(3) . ?
W6 O8 1.92(3) . ?
W6 O6 2.28(5) . ?
W6 O22 2.43(6) . ?
Cu1 N11 1.97(2) . ?
Cu1 N10 1.97(2) 2_612 ?
Cu1 N9 2.01(2) . ?
Cu1 OW1 2.03(2) . ?
Cu1 N8 2.29(2) . ?
Cu2 N7 1.99(2) 2_622 ?
Cu2 N6 1.997(19) . ?
Cu2 N2 2.00(2) . ?
Cu2 N5 2.02(2) . ?
Cu3 N15 2.02(2) . ?
Cu3 N15 2.02(2) 2_732 ?
Cu3 N4 2.02(2) 2_732 ?
Cu3 N4 2.02(2) . ?
N1 N2 1.26(4) . ?
N1 N15 1.36(3) . ?
N2 N3 1.41(3) . ?
N3 C18 1.28(4) . ?
N4 C17 1.34(4) . ?
N4 C1 1.36(4) . ?
N5 C9 1.32(4) . ?
N5 C5 1.34(4) . ?
N6 C15 1.33(3) . ?
N6 N7 1.37(3) . ?
N7 N14 1.32(3) . ?
N7 Cu2 1.99(2) 2_622 ?
N8 N14 1.35(3) . ?
N8 C15 1.37(4) . ?
N9 C16 1.31(4) . ?
N9 C13 1.39(4) . ?
N10 N11 1.34(3) . ?
N10 C14 1.36(3) . ?
N10 Cu1 1.97(2) 2_612 ?
N11 N12 1.35(3) . ?
N12 N13 1.30(3) . ?
N13 C14 1.33(4) . ?
N15 C18 1.38(4) . ?
C1 C2 1.39(5) . ?
C2 C3 1.35(5) . ?
C3 C4 1.42(5) . ?
C4 C17 1.39(5) . ?
C5 C6 1.39(4) . ?
C6 C7 1.37(5) . ?
C7 C8 1.38(5) . ?
C8 C9 1.39(4) . ?
C9 C15 1.42(4) . ?
C10 C16 1.35(4) . ?
C10 C11 1.43(4) . ?
C11 C12 1.33(5) . ?
C12 C13 1.35(4) . ?
C14 C16 1.49(4) 2_612 ?
C16 C14 1.49(4) 2_612 ?
C17 C18 1.46(5) . ?
O6 W4 2.30(6) 2_721 ?
O10 O22 1.82(8) . ?
O14 W5 1.96(3) 2_721 ?
O16 W5 1.93(3) 2_721 ?
O17 W6 1.83(3) 2_721 ?
O18 W3 1.93(3) 2_721 ?
O21 W1 2.25(6) 2_721 ?
O21 W5 2.38(5) 2_721 ?
