# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Please retain this information to preserve the provenance of 
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data_1_a
_database_code_depnum_ccdc_archive 'CCDC 2103267'
loop_
_audit_author_name
_audit_author_address
quanzhongwang
;Henan University 
China
;
_audit_update_record             
;
2022-07-26 deposited with the CCDC.	2026-03-27 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT201_1_a                 
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 6 Report
RESPONSE: Due to the existence of a large amount of heavy atoms
 in this large structure, the intensity data are not very good, 
 leading to the ADP max/min ratio of a small number of C and N atoms.
 Therefore, in the final refinement, only several C and N atoms
 were refined isotropically.
;

_vrf_PLAT306_1_a                 
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?).......      O1W
RESPONSE: The hydrogen atoms of the water molecules could not be directly
 located from the difference Fourier maps because of the presence of many
 heavy atoms in the structures. When we provide the formula in this paper,
 these hydrogen atoms are directly added according to the principle of
 charge balance and the case that one water molecule have two hydrogen atoms.  
;

_vrf_PLAT430_1_a                 
;
PROBLEM: Short Inter D...A Contact O2W ..O13 .    2.80 Ang.
RESPONSE:These close contacts arise between water molecules
 which are presumably hydrogen bonded. 
;

# end Validation Reply Form
_audit_creation_date             2020-07-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H14 Cl Cu7 Ge N21 O41 W12, 4(O)'
_chemical_formula_sum            'C14 H14 Cl Cu7 Ge N21 O45 W12'
_chemical_formula_weight         3955.48
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.922(3)
_cell_length_b                   24.751(5)
_cell_length_c                   19.487(4)
_cell_angle_alpha                90
_cell_angle_beta                 96.915(6)
_cell_angle_gamma                90
_cell_volume                     6666(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.52
_shelx_estimated_absorpt_T_max   0.455
_shelx_estimated_absorpt_T_min   0.071
_exptl_absorpt_coefficient_mu    23.376
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4128
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1410 before and 0.0783 after correction. The Ratio of minimum to maximum transmission is 0.5536. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    3.941
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             6980
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            54797
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.100
_diffrn_reflns_theta_max         25.100
_diffrn_reflns_theta_min         2.209
_diffrn_ambient_temperature      149.97
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Helios multilayer optic'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_source            'Incoatc Ius 3.0 '
_diffrn_source_type              Microfocus
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9755
_reflns_number_total             11845
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         4.438
_refine_diff_density_min         -1.712
_refine_diff_density_rms         0.318
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         11845
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0338
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0306P)²+51.8365P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0760
_refine_ls_wR_factor_ref         0.0815
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O36) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(N20) \\sim Ueq, Uanis(C8)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O33) \\sim Ueq, Uanis(O28) \\sim Ueq, Uanis(O29) \\sim Ueq: with sigma of
0.002 and sigma for terminal atoms of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9),
 C10(H10), C11(H11), C12(H12), C13(H13), C14(H14)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
C1 C 0.3165(9) 0.5136(4) 0.6473(6) 0.017(3) Uani 1 1 d . . . . .
H1 H 0.272215 0.533478 0.670962 0.020 Uiso 1 1 calc R . . . .
C2 C 0.3981(9) 0.4505(4) 0.6149(6) 0.017(3) Uani 1 1 d . . . . .
H2 H 0.425885 0.415860 0.609949 0.021 Uiso 1 1 calc R . . . .
C3 C 0.0601(9) 0.6006(4) 0.1638(5) 0.012(3) Uani 1 1 d . . . . .
H3 H 0.052206 0.634172 0.186098 0.014 Uiso 1 1 calc R . . . .
C4 C 0.1065(10) 0.5238(4) 0.1423(6) 0.022(3) Uani 1 1 d . U . . .
H4 H 0.138156 0.489722 0.146416 0.026 Uiso 1 1 calc R . . . .
C5 C 0.2609(9) 0.8490(4) 0.4235(5) 0.016(3) Uani 1 1 d . . . . .
H5 H 0.270033 0.882369 0.401051 0.020 Uiso 1 1 calc R . . . .
C6 C 0.2071(9) 0.7721(4) 0.4476(5) 0.012(3) Uani 1 1 d . . . . .
H6 H 0.169787 0.739844 0.446385 0.014 Uiso 1 1 calc R . . . .
C7 C -0.0449(9) 0.7857(4) 0.2145(5) 0.013(3) Uani 1 1 d . . . . .
H7 H -0.041441 0.749640 0.231370 0.016 Uiso 1 1 calc R . . . .
C8 C -0.0196(9) 0.8686(4) 0.2028(5) 0.010(2) Uani 1 1 d . U . . .
H8 H 0.005420 0.904138 0.209709 0.012 Uiso 1 1 calc R . . . .
C9 C 0.5242(10) 0.8492(4) 0.4223(6) 0.019(3) Uani 1 1 d . . . . .
H9 H 0.503856 0.812565 0.417955 0.023 Uiso 1 1 calc R . . . .
C10 C 0.5977(11) 0.9241(5) 0.4092(7) 0.030(3) Uani 1 1 d . . . . .
H10 H 0.641026 0.950509 0.395347 0.036 Uiso 1 1 calc R . . . .
C11 C 0.3231(9) 0.8923(4) 0.6678(6) 0.014(3) Uani 1 1 d . . . . .
H11 H 0.332824 0.930197 0.664443 0.017 Uiso 1 1 calc R . . . .
C12 C 0.2823(9) 0.8150(4) 0.7019(6) 0.014(2) Uiso 1 1 d . . . . .
H12 H 0.256679 0.787077 0.727740 0.017 Uiso 1 1 calc R . . . .
C13 C 0.2662(10) 0.5903(4) 0.4180(6) 0.019(3) Uani 1 1 d . . . . .
H13 H 0.215480 0.615328 0.422090 0.023 Uiso 1 1 calc R . . . .
C14 C 0.3568(8) 0.5321(4) 0.3782(5) 0.011(2) Uiso 1 1 d . . . . .
H14 H 0.383657 0.507881 0.347861 0.013 Uiso 1 1 calc R . . . .
Cl1 Cl 0.3242(4) 0.96322(16) 0.5115(2) 0.0556(12) Uani 1 1 d . . . . .
Cu1 Cu 0.500000 0.500000 0.500000 0.0067(4) Uani 1 2 d S T P . .
Cu2 Cu 0.19919(12) 0.56205(5) 0.27493(7) 0.0228(4) Uani 1 1 d . . . . .
Cu3 Cu 0.36320(10) 0.60929(4) 0.56193(6) 0.0089(3) Uani 1 1 d . . . . .
Cu4 Cu 0.27475(13) 0.40992(6) 0.71352(8) 0.0239(4) Uani 1 1 d . . . . .
Cu5 Cu 0.33347(10) 0.74296(5) 0.58088(6) 0.0091(3) Uani 1 1 d . . . . .
Cu6 Cu 0.41150(10) 0.87406(5) 0.54043(6) 0.0103(3) Uani 1 1 d . . . . .
Cu7 Cu 0.10158(11) 0.81964(5) 0.32209(7) 0.0156(3) Uani 1 1 d . . . . .
Cu8 Cu 0.500000 1.000000 0.500000 0.0157(5) Uani 1 2 d S T P . .
Ge1 Ge 0.14827(9) 0.29430(4) 0.42605(5) 0.0082(2) Uani 1 1 d . . . . .
N1 N 0.3341(8) 0.4601(3) 0.6574(5) 0.016(2) Uani 1 1 d . . . . .
N2 N 0.4214(7) 0.4945(3) 0.5786(4) 0.0074(18) Uiso 1 1 d . . . . .
N3 N 0.3663(8) 0.5350(3) 0.6019(5) 0.014(2) Uani 1 1 d . . . . .
N4 N 0.3940(8) 0.5405(3) 0.4423(4) 0.016(2) Uani 1 1 d . . . . .
N5 N 0.3363(7) 0.5788(3) 0.4679(4) 0.012(2) Uani 1 1 d . . . . .
N6 N 0.2768(7) 0.5615(3) 0.3599(4) 0.012(2) Uiso 1 1 d . . . . .
N7 N 0.1208(8) 0.5615(4) 0.1908(5) 0.020(2) Uani 1 1 d . . . . .
N8 N 0.0092(7) 0.8263(3) 0.2449(4) 0.015(2) Uani 1 1 d . . . . .
N9 N -0.1031(7) 0.8007(3) 0.1593(4) 0.0082(18) Uiso 1 1 d . . . . .
N10 N -0.0862(7) 0.8550(3) 0.1511(4) 0.0079(19) Uani 1 1 d . . . . .
N11 N 0.0462(8) 0.5367(3) 0.0888(4) 0.015(2) Uani 1 1 d . . . . .
N12 N 0.0132(7) 0.5875(3) 0.1038(4) 0.011(2) Uani 1 1 d . . . . .
N13 N 0.2790(7) 0.7840(3) 0.4969(4) 0.009(2) Uani 1 1 d . . . . .
N14 N 0.3117(7) 0.8334(3) 0.4817(4) 0.010(2) Uani 1 1 d . . . . .
N15 N 0.1941(7) 0.8115(3) 0.3998(5) 0.014(2) Uani 1 1 d . . . . .
N16 N 0.4897(8) 0.8848(3) 0.4606(4) 0.014(2) Uani 1 1 d . . . . .
N17 N 0.5335(8) 0.9329(3) 0.4505(5) 0.017(2) Uani 1 1 d . . . . .
N18 N 0.5946(9) 0.8720(4) 0.3887(6) 0.029(3) Uani 1 1 d . . . . .
N19 N 0.3495(7) 0.8565(3) 0.6234(4) 0.0072(18) Uiso 1 1 d . . . . .
N20 N 0.3241(7) 0.8065(3) 0.6447(4) 0.0077(19) Uani 1 1 d . U . . .
N21 N 0.2804(8) 0.8680(3) 0.7188(4) 0.017(2) Uani 1 1 d . . . . .
O1 O -0.1960(6) 0.3798(3) 0.4166(4) 0.0159(18) Uani 1 1 d . . . . .
O2 O -0.1319(6) 0.1552(3) 0.4191(4) 0.0157(18) Uani 1 1 d . . . . .
O3 O 0.1920(6) 0.0852(3) 0.4225(4) 0.020(2) Uani 1 1 d . . . . .
O4 O 0.2206(6) 0.2451(3) 0.3975(4) 0.0121(17) Uani 1 1 d . . . . .
O5 O 0.0807(6) 0.5013(3) 0.4434(4) 0.019(2) Uani 1 1 d . . . . .
O6 O 0.0893(7) 0.1664(3) 0.6286(4) 0.021(2) Uani 1 1 d . . . . .
O7 O 0.2589(6) 0.2140(3) 0.2010(4) 0.0141(18) Uani 1 1 d . . . . .
O8 O 0.5023(6) 0.2222(3) 0.4457(4) 0.0129(17) Uani 1 1 d . . . . .
O9 O 0.0160(7) 0.3860(3) 0.6385(4) 0.021(2) Uani 1 1 d . . . . .
O10 O 0.4508(6) 0.4171(3) 0.4494(4) 0.0110(17) Uani 1 1 d . . . . .
O11 O 0.3916(6) 0.3182(3) 0.6458(4) 0.0172(19) Uani 1 1 d . . . . .
O12 O -0.0709(6) 0.2819(3) 0.1910(4) 0.0153(18) Uani 1 1 d . . . . .
O13 O -0.1057(6) 0.3291(3) 0.3147(4) 0.0154(18) Uani 1 1 d . . . . .
O14 O -0.0741(6) 0.2216(3) 0.3127(4) 0.0150(18) Uani 1 1 d . . . . .
O15 O 0.0017(6) 0.2156(3) 0.5043(4) 0.0163(19) Uani 1 1 d . . . . .
O16 O -0.0383(6) 0.3381(3) 0.5080(4) 0.0146(18) Uani 1 1 d . . . . .
O17 O 0.1879(6) 0.3564(3) 0.3999(3) 0.0100(17) Uani 1 1 d . . . . .
O18 O -0.1400(6) 0.2690(3) 0.4220(4) 0.0160(18) Uani 1 1 d . . . . .
O19 O 0.1546(6) 0.2918(3) 0.5155(4) 0.0121(17) Uani 1 1 d . . . . .
O20 O 0.2112(6) 0.1615(3) 0.3204(4) 0.0129(17) Uani 1 1 d . . . . .
O21 O 0.2425(6) 0.3091(3) 0.2770(4) 0.0136(18) Uani 1 1 d . . . . .
O22 O 0.3645(6) 0.2288(3) 0.3313(4) 0.0124(17) Uani 1 1 d . . . . .
O23 O 0.1305(6) 0.4397(3) 0.3323(4) 0.0133(17) Uani 1 1 d . . . . .
O24 O 0.0970(6) 0.2419(3) 0.2693(4) 0.0168(19) Uani 1 1 d . . . . .
O25 O 0.0613(6) 0.1714(3) 0.3961(4) 0.0130(17) Uani 1 1 d . . . . .
O26 O 0.3809(6) 0.3148(3) 0.4139(4) 0.0148(18) Uani 1 1 d . . . . .
O27 O 0.3128(6) 0.4004(3) 0.3344(4) 0.0131(17) Uani 1 1 d . . . . .
O28 O 0.2355(6) 0.2400(3) 0.6158(4) 0.0183(18) Uani 1 1 d . U . . .
O29 O 0.2040(6) 0.3498(3) 0.6170(4) 0.0114(16) Uani 1 1 d . U . . .
O30 O 0.3180(6) 0.3589(3) 0.5202(4) 0.0121(17) Uani 1 1 d . . . . .
O31 O 0.1093(6) 0.4035(3) 0.5173(4) 0.0138(18) Uani 1 1 d . . . . .
O32 O 0.0661(6) 0.3450(3) 0.2732(4) 0.0155(18) Uani 1 1 d . . . . .
O33 O 0.0514(6) 0.2786(3) 0.6103(4) 0.0168(18) Uani 1 1 d . U . . .
O34 O 0.3303(6) 0.1677(3) 0.4390(4) 0.0152(18) Uani 1 1 d . . . . .
O35 O 0.2540(6) 0.4448(3) 0.4489(4) 0.0096(16) Uani 1 1 d . . . . .
O36 O 0.0306(5) 0.2854(3) 0.3911(3) 0.0078(16) Uani 1 1 d . U . . .
O37 O -0.0028(6) 0.3980(3) 0.4028(4) 0.0107(17) Uani 1 1 d . . . . .
O38 O 0.1785(6) 0.1778(2) 0.5081(4) 0.0124(17) Uani 1 1 d . . . . .
O39 O 0.3529(6) 0.2570(3) 0.5218(4) 0.0129(17) Uani 1 1 d . . . . .
O40 O 0.1955(6) 0.4096(3) 0.2087(4) 0.0186(19) Uani 1 1 d . . . . .
O41 O 0.3467(6) 0.6806(3) 0.5254(4) 0.0115(17) Uani 1 1 d . . . . .
W1 W 0.34075(3) 0.38577(2) 0.43087(2) 0.00979(11) Uani 1 1 d . . . . .
W2 W -0.09249(4) 0.34374(2) 0.41210(2) 0.01116(11) Uani 1 1 d . . . . .
W3 W 0.23749(4) 0.23343(2) 0.28178(2) 0.01144(11) Uani 1 1 d . . . . .
W4 W 0.18576(4) 0.38124(2) 0.28691(2) 0.01051(11) Uani 1 1 d . . . . .
W5 W 0.38273(3) 0.23791(2) 0.43173(2) 0.01044(11) Uani 1 1 d . . . . .
W6 W 0.19339(4) 0.15397(2) 0.41504(2) 0.01212(11) Uani 1 1 d . . . . .
W7 W -0.01617(4) 0.28200(2) 0.27489(2) 0.01162(11) Uani 1 1 d . . . . .
W8 W -0.05630(4) 0.20889(2) 0.41239(2) 0.01219(11) Uani 1 1 d . . . . .
W9 W 0.11858(4) 0.43708(2) 0.43163(2) 0.01154(11) Uani 1 1 d . . . . .
W10 W 0.29707(4) 0.30492(2) 0.58444(2) 0.01277(11) Uani 1 1 d . . . . .
W11 W 0.11571(4) 0.21642(2) 0.57302(2) 0.01441(11) Uani 1 1 d . . . . .
W12 W 0.06730(4) 0.34917(2) 0.57816(2) 0.01491(11) Uani 1 1 d . . . . .
O1W O 0.4185(7) 0.7164(4) 0.4006(4) 0.033(2) Uani 1 1 d . . . . .
O2W O -0.2331(10) 0.3767(4) 0.2095(6) 0.060(3) Uiso 1 1 d . . . . .
O3W O 0.0340(14) 0.1097(6) 0.2430(9) 0.109(6) Uiso 1 1 d . . . . .
O4W O 0.0452(16) 0.4900(7) 0.7181(10) 0.134(7) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 N1 1.358(13) . ?
C1 N3 1.299(15) . ?
C2 N1 1.309(16) . ?
C2 N2 1.361(14) . ?
C3 N7 1.348(14) . ?
C3 N12 1.311(13) . ?
C4 N7 1.327(14) . ?
C4 N11 1.297(14) . ?
C5 N14 1.319(13) . ?
C5 N15 1.356(14) . ?
C6 N13 1.335(13) . ?
C6 N15 1.345(13) . ?
C7 N8 1.349(13) . ?
C7 N9 1.320(13) . ?
C8 N8 1.359(13) . ?
C8 N10 1.328(13) . ?
C9 N16 1.286(15) . ?
C9 N18 1.363(17) . ?
C10 N17 1.291(18) . ?
C10 N18 1.351(15) . ?
C11 N19 1.321(14) . ?
C11 N21 1.359(15) . ?
C12 N20 1.335(15) . ?
C12 N21 1.353(13) . ?
C13 N5 1.324(14) . ?
C13 N6 1.361(14) . ?
C14 N4 1.309(13) . ?
C14 N6 1.341(14) . ?
Cl1 Cu6 2.549(4) . ?
Cl1 Cu8 2.646(5) . ?
Cu1 N2 1.990(9) 3_666 ?
Cu1 N2 1.990(9) . ?
Cu1 N4 2.013(9) 3_666 ?
Cu1 N4 2.013(9) . ?
Cu1 O10 2.343(6) 3_666 ?
Cu1 O10 2.343(6) . ?
Cu2 N6 1.865(9) . ?
Cu2 N7 1.857(9) . ?
Cu3 N3 1.996(8) . ?
Cu3 N5 1.975(8) . ?
Cu3 N10 2.000(8) 4_676 ?
Cu3 O1 2.429(9) 3_566 ?
Cu3 O41 1.906(7) . ?
Cu4 N1 1.907(10) . ?
Cu4 N21 1.911(10) 2_546 ?
Cu5 N9 1.989(8) 4_676 ?
Cu5 N13 1.996(8) . ?
Cu5 N20 2.019(8) . ?
Cu5 O41 1.907(7) . ?
Cu6 N12 2.003(9) 4_676 ?
Cu6 N14 1.968(9) . ?
Cu6 N16 2.020(10) . ?
Cu6 N19 1.970(9) . ?
Cu7 N8 1.865(8) . ?
Cu7 N15 1.877(9) . ?
Cu8 N11 1.991(8) 4_676 ?
Cu8 N11 1.991(8) 2 ?
Cu8 N17 2.003(9) . ?
Cu8 N17 2.003(9) 3_676 ?
Ge1 O4 1.715(8) . ?
Ge1 O17 1.730(7) . ?
Ge1 O19 1.736(7) . ?
Ge1 O36 1.711(7) . ?
N2 N3 1.372(12) . ?
N4 N5 1.373(13) . ?
N9 N10 1.379(11) . ?
N11 N12 1.382(12) . ?
N13 N14 1.350(11) . ?
N16 N17 1.364(13) . ?
N19 N20 1.365(11) . ?
O1 W2 1.706(8) . ?
O2 W8 1.710(7) . ?
O3 W6 1.709(7) . ?
O4 W3 2.313(7) . ?
O4 W5 2.282(8) . ?
O4 W6 2.320(6) . ?
O5 W9 1.699(7) . ?
O6 W11 1.715(8) . ?
O7 W3 1.706(7) . ?
O8 W5 1.699(8) . ?
O9 W12 1.711(8) . ?
O10 W1 1.716(7) . ?
O11 W10 1.700(7) . ?
O12 W7 1.717(7) . ?
O13 W2 1.919(7) . ?
O13 W7 1.936(8) . ?
O14 W7 1.890(7) . ?
O14 W8 1.953(7) . ?
O15 W8 1.881(7) . ?
O15 W11 1.949(8) . ?
O16 W2 1.935(7) . ?
O16 W12 1.902(7) . ?
O17 W1 2.261(8) . ?
O17 W4 2.284(7) . ?
O17 W9 2.334(7) . ?
O18 W2 1.982(7) . ?
O18 W8 1.913(8) . ?
O19 W10 2.280(8) . ?
O19 W11 2.275(7) . ?
O19 W12 2.311(7) . ?
O20 W3 1.984(7) . ?
O20 W6 1.899(7) . ?
O21 W3 1.878(7) . ?
O21 W4 1.971(7) . ?
O22 W3 1.913(8) . ?
O22 W5 1.956(7) . ?
O23 W4 1.905(7) . ?
O23 W9 1.963(7) . ?
O24 W3 1.953(8) . ?
O24 W7 1.876(8) . ?
O25 W6 1.881(8) . ?
O25 W8 1.941(8) . ?
O26 W1 1.884(7) . ?
O26 W5 1.934(7) . ?
O27 W1 1.908(7) . ?
O27 W4 1.953(8) . ?
O28 W10 1.954(7) . ?
O28 W11 1.866(8) . ?
O29 W10 1.875(7) . ?
O29 W12 1.961(8) . ?
O30 W1 1.924(8) . ?
O30 W10 1.878(7) . ?
O31 W9 1.883(7) . ?
O31 W12 1.929(7) . ?
O32 W4 1.882(8) . ?
O32 W7 1.939(8) . ?
O33 W11 1.963(8) . ?
O33 W12 1.879(7) . ?
O34 W5 1.897(7) . ?
O34 W6 1.937(8) . ?
O35 W1 1.955(7) . ?
O35 W9 1.885(8) . ?
O36 W2 2.314(7) . ?
O36 W7 2.282(7) . ?
O36 W8 2.311(7) . ?
O37 W2 1.858(7) . ?
O37 W9 1.969(8) . ?
O38 W6 1.942(7) . ?
O38 W11 1.882(8) . ?
O39 W5 1.911(8) . ?
O39 W10 1.931(8) . ?
O40 W4 1.699(8) . ?

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
N3 C1 N1 113.2(11) . . ?
N1 C2 N2 114.0(9) . . ?
N12 C3 N7 113.1(9) . . ?
N11 C4 N7 115.2(10) . . ?
N14 C5 N15 111.4(9) . . ?
N13 C6 N15 111.4(9) . . ?
N9 C7 N8 113.8(9) . . ?
N10 C8 N8 113.1(9) . . ?
N16 C9 N18 109.6(10) . . ?
N17 C10 N18 110.2(12) . . ?
N19 C11 N21 111.2(9) . . ?
N20 C12 N21 112.3(10) . . ?
N5 C13 N6 110.8(10) . . ?
N4 C14 N6 112.8(10) . . ?
Cu6 Cl1 Cu8 84.01(15) . . ?
N2 Cu1 N2 180.0(4) 3_666 . ?
N2 Cu1 N4 91.7(4) 3_666 3_666 ?
N2 Cu1 N4 88.3(4) . 3_666 ?
N2 Cu1 N4 88.3(4) 3_666 . ?
N2 Cu1 N4 91.7(4) . . ?
N2 Cu1 O10 96.0(3) 3_666 3_666 ?
N2 Cu1 O10 84.0(3) . 3_666 ?
N2 Cu1 O10 84.0(3) 3_666 . ?
N2 Cu1 O10 96.0(3) . . ?
N4 Cu1 N4 180.0 3_666 . ?
N4 Cu1 O10 92.5(3) . . ?
N4 Cu1 O10 87.5(3) . 3_666 ?
N4 Cu1 O10 92.5(3) 3_666 3_666 ?
N4 Cu1 O10 87.5(3) 3_666 . ?
O10 Cu1 O10 180.0(4) 3_666 . ?
N7 Cu2 N6 179.0(4) . . ?
N3 Cu3 N10 94.5(3) . 4_676 ?
N3 Cu3 O1 90.7(4) . 3_566 ?
N5 Cu3 N3 90.1(3) . . ?
N5 Cu3 N10 169.2(4) . 4_676 ?
N5 Cu3 O1 97.1(3) . 3_566 ?
N10 Cu3 O1 92.6(3) 4_676 3_566 ?
O41 Cu3 N3 174.1(4) . . ?
O41 Cu3 N5 90.4(3) . . ?
O41 Cu3 N10 86.0(3) . 4_676 ?
O41 Cu3 O1 83.5(3) . 3_566 ?
N1 Cu4 N21 170.8(4) . 2_546 ?
N9 Cu5 N13 174.6(4) 4_676 . ?
N9 Cu5 N20 90.3(3) 4_676 . ?
N13 Cu5 N20 93.6(3) . . ?
O41 Cu5 N9 86.1(3) . 4_676 ?
O41 Cu5 N13 90.0(3) . . ?
O41 Cu5 N20 176.4(3) . . ?
N12 Cu6 Cl1 90.4(3) 4_676 . ?
N12 Cu6 N16 90.3(4) 4_676 . ?
N14 Cu6 Cl1 91.7(3) . . ?
N14 Cu6 N12 177.1(3) . 4_676 ?
N14 Cu6 N16 91.6(4) . . ?
N14 Cu6 N19 90.9(4) . . ?
N16 Cu6 Cl1 90.2(3) . . ?
N19 Cu6 Cl1 97.3(3) . . ?
N19 Cu6 N12 86.9(4) . 4_676 ?
N19 Cu6 N16 172.0(4) . . ?
N8 Cu7 N15 178.9(4) . . ?
Cl1 Cu8 Cl1 180.0 3_676 . ?
N11 Cu8 Cl1 91.5(3) 2 . ?
N11 Cu8 Cl1 91.5(3) 4_676 3_676 ?
N11 Cu8 Cl1 88.5(3) 2 3_676 ?
N11 Cu8 Cl1 88.5(3) 4_676 . ?
N11 Cu8 N11 180.0 4_676 2 ?
N11 Cu8 N17 88.4(4) 4_676 . ?
N11 Cu8 N17 91.6(4) 2 . ?
N11 Cu8 N17 88.4(4) 2 3_676 ?
N11 Cu8 N17 91.6(4) 4_676 3_676 ?
N17 Cu8 Cl1 91.5(3) 3_676 3_676 ?
N17 Cu8 Cl1 91.5(3) . . ?
N17 Cu8 Cl1 88.5(3) . 3_676 ?
N17 Cu8 Cl1 88.5(3) 3_676 . ?
N17 Cu8 N17 180.0(3) 3_676 . ?
O4 Ge1 O17 108.3(4) . . ?
O4 Ge1 O19 109.9(3) . . ?
O17 Ge1 O19 110.3(3) . . ?
O36 Ge1 O4 110.6(3) . . ?
O36 Ge1 O17 108.7(3) . . ?
O36 Ge1 O19 109.0(4) . . ?
C1 N1 Cu4 129.4(9) . . ?
C2 N1 C1 102.1(10) . . ?
C2 N1 Cu4 128.3(7) . . ?
C2 N2 Cu1 130.0(7) . . ?
C2 N2 N3 103.5(9) . . ?
N3 N2 Cu1 126.0(6) . . ?
C1 N3 Cu3 130.7(8) . . ?
C1 N3 N2 107.2(8) . . ?
N2 N3 Cu3 121.9(7) . . ?
C14 N4 Cu1 129.3(8) . . ?
C14 N4 N5 106.0(9) . . ?
N5 N4 Cu1 124.1(6) . . ?
C13 N5 Cu3 129.8(8) . . ?
C13 N5 N4 107.0(9) . . ?
N4 N5 Cu3 123.2(7) . . ?
C13 N6 Cu2 128.7(8) . . ?
C14 N6 C13 103.4(9) . . ?
C14 N6 Cu2 127.8(8) . . ?
C3 N7 Cu2 127.8(7) . . ?
C4 N7 C3 101.2(9) . . ?
C4 N7 Cu2 131.0(8) . . ?
C7 N8 C8 101.6(8) . . ?
C7 N8 Cu7 125.6(7) . . ?
C8 N8 Cu7 132.8(7) . . ?
C7 N9 Cu5 130.2(7) . 4_575 ?
C7 N9 N10 105.8(8) . . ?
N10 N9 Cu5 120.5(6) . 4_575 ?
C8 N10 Cu3 133.6(7) . 4_575 ?
C8 N10 N9 105.7(8) . . ?
N9 N10 Cu3 119.0(6) . 4_575 ?
C4 N11 Cu8 134.1(7) . 2_545 ?
C4 N11 N12 104.7(8) . . ?
N12 N11 Cu8 121.2(6) . 2_545 ?
C3 N12 Cu6 132.2(7) . 4_575 ?
C3 N12 N11 105.7(8) . . ?
N11 N12 Cu6 122.0(6) . 4_575 ?
C6 N13 Cu5 131.0(7) . . ?
C6 N13 N14 106.6(8) . . ?
N14 N13 Cu5 122.4(6) . . ?
C5 N14 Cu6 128.1(7) . . ?
C5 N14 N13 107.2(8) . . ?
N13 N14 Cu6 124.6(6) . . ?
C5 N15 Cu7 125.2(7) . . ?
C6 N15 C5 103.4(9) . . ?
C6 N15 Cu7 131.2(8) . . ?
C9 N16 Cu6 129.2(8) . . ?
C9 N16 N17 108.0(10) . . ?
N17 N16 Cu6 121.2(7) . . ?
C10 N17 Cu8 131.2(8) . . ?
C10 N17 N16 107.3(9) . . ?
N16 N17 Cu8 121.4(8) . . ?
C10 N18 C9 104.7(11) . . ?
C11 N19 Cu6 124.9(7) . . ?
C11 N19 N20 107.9(9) . . ?
N20 N19 Cu6 127.2(6) . . ?
C12 N20 Cu5 134.7(7) . . ?
C12 N20 N19 105.4(8) . . ?
N19 N20 Cu5 118.7(7) . . ?
C11 N21 Cu4 120.8(7) . 2_556 ?
C12 N21 C11 103.2(9) . . ?
C12 N21 Cu4 135.6(9) . 2_556 ?
W2 O1 Cu3 154.2(4) . 3_566 ?
Ge1 O4 W3 122.5(3) . . ?
Ge1 O4 W5 124.0(4) . . ?
Ge1 O4 W6 122.0(4) . . ?
W3 O4 W6 93.4(2) . . ?
W5 O4 W3 93.6(3) . . ?
W5 O4 W6 93.1(2) . . ?
W1 O10 Cu1 133.8(4) . . ?
W2 O13 W7 121.3(4) . . ?
W7 O14 W8 120.5(3) . . ?
W8 O15 W11 151.1(5) . . ?
W12 O16 W2 149.5(5) . . ?
Ge1 O17 W1 122.1(4) . . ?
Ge1 O17 W4 123.7(3) . . ?
Ge1 O17 W9 121.7(4) . . ?
W1 O17 W4 94.2(3) . . ?
W1 O17 W9 93.4(2) . . ?
W4 O17 W9 93.8(2) . . ?
W8 O18 W2 120.1(4) . . ?
Ge1 O19 W10 121.5(4) . . ?
Ge1 O19 W11 122.5(3) . . ?
Ge1 O19 W12 122.8(4) . . ?
W10 O19 W12 94.4(2) . . ?
W11 O19 W10 93.9(3) . . ?
W11 O19 W12 94.1(3) . . ?
W6 O20 W3 120.5(3) . . ?
W3 O21 W4 151.8(5) . . ?
W3 O22 W5 119.9(4) . . ?
W4 O23 W9 121.3(3) . . ?
W7 O24 W3 152.3(4) . . ?
W6 O25 W8 154.4(4) . . ?
W1 O26 W5 152.1(5) . . ?
W1 O27 W4 119.1(4) . . ?
W11 O28 W10 121.3(4) . . ?
W10 O29 W12 122.9(3) . . ?
W10 O30 W1 154.7(4) . . ?
W9 O31 W12 155.6(4) . . ?
W4 O32 W7 153.6(4) . . ?
W12 O33 W11 121.9(4) . . ?
W5 O34 W6 121.2(4) . . ?
W9 O35 W1 121.2(3) . . ?
Ge1 O36 W2 122.9(3) . . ?
Ge1 O36 W7 123.0(4) . . ?
Ge1 O36 W8 122.1(3) . . ?
W7 O36 W2 94.0(3) . . ?
W7 O36 W8 93.1(2) . . ?
W8 O36 W2 93.7(3) . . ?
W2 O37 W9 153.0(4) . . ?
W11 O38 W6 153.2(4) . . ?
W5 O39 W10 151.7(4) . . ?
Cu3 O41 Cu5 123.6(4) . . ?
O10 W1 O17 171.5(3) . . ?
O10 W1 O26 100.5(3) . . ?
O10 W1 O27 101.1(3) . . ?
O10 W1 O30 101.9(3) . . ?
O10 W1 O35 100.3(3) . . ?
O26 W1 O17 86.7(3) . . ?
O26 W1 O27 91.9(3) . . ?
O26 W1 O30 85.5(3) . . ?
O26 W1 O35 158.6(3) . . ?
O27 W1 O17 74.0(3) . . ?
O27 W1 O30 157.0(3) . . ?
O27 W1 O35 88.7(3) . . ?
O30 W1 O17 83.0(3) . . ?
O30 W1 O35 85.6(3) . . ?
O35 W1 O17 73.0(3) . . ?
O1 W2 O13 99.7(3) . . ?
O1 W2 O16 102.8(3) . . ?
O1 W2 O18 100.9(3) . . ?
O1 W2 O36 169.5(3) . . ?
O1 W2 O37 102.1(3) . . ?
O13 W2 O16 157.2(3) . . ?
O13 W2 O18 85.8(3) . . ?
O13 W2 O36 72.1(3) . . ?
O16 W2 O18 86.3(3) . . ?
O16 W2 O36 85.1(3) . . ?
O18 W2 O36 72.4(3) . . ?
O37 W2 O13 91.4(3) . . ?
O37 W2 O16 87.6(3) . . ?
O37 W2 O18 157.0(3) . . ?
O37 W2 O36 85.0(3) . . ?
O7 W3 O4 169.8(3) . . ?
O7 W3 O20 99.1(3) . . ?
O7 W3 O21 102.9(3) . . ?
O7 W3 O22 101.2(4) . . ?
O7 W3 O24 101.5(3) . . ?
O20 W3 O4 72.4(3) . . ?
O21 W3 O4 86.1(3) . . ?
O21 W3 O20 157.5(3) . . ?
O21 W3 O22 92.7(3) . . ?
O21 W3 O24 85.9(3) . . ?
O22 W3 O4 73.3(3) . . ?
O22 W3 O20 87.5(3) . . ?
O22 W3 O24 157.0(3) . . ?
O24 W3 O4 83.7(3) . . ?
O24 W3 O20 85.2(3) . . ?
O21 W4 O17 83.8(3) . . ?
O23 W4 O17 73.5(3) . . ?
O23 W4 O21 157.2(3) . . ?
O23 W4 O27 89.3(3) . . ?
O27 W4 O17 72.7(3) . . ?
O27 W4 O21 85.2(3) . . ?
O32 W4 O17 85.3(3) . . ?
O32 W4 O21 85.0(3) . . ?
O32 W4 O23 91.6(3) . . ?
O32 W4 O27 156.7(3) . . ?
O40 W4 O17 169.7(3) . . ?
O40 W4 O21 102.2(3) . . ?
O40 W4 O23 100.5(3) . . ?
O40 W4 O27 99.1(4) . . ?
O40 W4 O32 103.5(4) . . ?
O8 W5 O4 168.5(3) . . ?
O8 W5 O22 98.1(3) . . ?
O8 W5 O26 104.2(3) . . ?
O8 W5 O34 99.0(3) . . ?
O8 W5 O39 103.1(3) . . ?
O22 W5 O4 73.2(3) . . ?
O26 W5 O4 83.0(3) . . ?
O26 W5 O22 86.3(3) . . ?
O34 W5 O4 73.6(3) . . ?
O34 W5 O22 88.0(3) . . ?
O34 W5 O26 156.6(3) . . ?
O34 W5 O39 91.7(3) . . ?
O39 W5 O4 86.1(3) . . ?
O39 W5 O22 158.6(3) . . ?
O39 W5 O26 85.6(3) . . ?
O3 W6 O4 170.1(4) . . ?
O3 W6 O20 100.6(3) . . ?
O3 W6 O25 103.0(4) . . ?
O3 W6 O34 100.1(4) . . ?
O3 W6 O38 102.7(3) . . ?
O20 W6 O4 73.7(3) . . ?
O20 W6 O34 88.7(3) . . ?
O20 W6 O38 156.6(3) . . ?
O25 W6 O4 85.5(3) . . ?
O25 W6 O20 91.5(3) . . ?
O25 W6 O34 156.5(3) . . ?
O25 W6 O38 84.4(3) . . ?
O34 W6 O4 72.1(3) . . ?
O34 W6 O38 86.2(3) . . ?
O38 W6 O4 83.1(3) . . ?
O12 W7 O13 98.6(3) . . ?
O12 W7 O14 102.1(3) . . ?
O12 W7 O24 102.9(4) . . ?
O12 W7 O32 100.4(3) . . ?
O12 W7 O36 170.1(4) . . ?
O13 W7 O32 86.1(3) . . ?
O13 W7 O36 72.6(3) . . ?
O14 W7 O13 89.7(3) . . ?
O14 W7 O32 157.5(3) . . ?
O14 W7 O36 74.1(3) . . ?
O24 W7 O13 158.0(3) . . ?
O24 W7 O14 90.3(3) . . ?
O24 W7 O32 85.5(3) . . ?
O24 W7 O36 86.4(3) . . ?
O32 W7 O36 83.6(3) . . ?
O2 W8 O14 101.3(3) . . ?
O2 W8 O15 101.1(3) . . ?
O2 W8 O18 102.1(4) . . ?
O2 W8 O25 100.4(3) . . ?
O2 W8 O36 172.2(3) . . ?
O14 W8 O36 72.3(3) . . ?
O15 W8 O14 157.0(3) . . ?
O15 W8 O18 92.0(3) . . ?
O15 W8 O25 85.6(3) . . ?
O15 W8 O36 85.7(3) . . ?
O18 W8 O14 88.1(3) . . ?
O18 W8 O25 157.5(3) . . ?
O18 W8 O36 73.6(3) . . ?
O25 W8 O14 85.6(3) . . ?
O25 W8 O36 83.8(3) . . ?
O5 W9 O17 169.0(4) . . ?
O5 W9 O23 99.7(3) . . ?
O5 W9 O31 103.7(4) . . ?
O5 W9 O35 101.6(4) . . ?
O5 W9 O37 103.2(4) . . ?
O23 W9 O17 71.3(3) . . ?
O23 W9 O37 84.6(3) . . ?
O31 W9 O17 86.1(3) . . ?
O31 W9 O23 155.7(3) . . ?
O31 W9 O35 93.5(3) . . ?
O31 W9 O37 83.6(3) . . ?
O35 W9 O17 72.4(3) . . ?
O35 W9 O23 88.4(3) . . ?
O35 W9 O37 155.1(3) . . ?
O37 W9 O17 82.7(3) . . ?
O11 W10 O19 170.5(3) . . ?
O11 W10 O28 105.7(3) . . ?
O11 W10 O29 98.9(3) . . ?
O11 W10 O30 99.3(3) . . ?
O11 W10 O39 103.1(4) . . ?
O28 W10 O19 71.6(3) . . ?
O29 W10 O19 72.3(3) . . ?
O29 W10 O28 92.0(3) . . ?
O29 W10 O30 88.4(3) . . ?
O29 W10 O39 157.7(3) . . ?
O30 W10 O19 84.4(3) . . ?
O30 W10 O28 154.6(3) . . ?
O30 W10 O39 84.8(3) . . ?
O39 W10 O19 85.9(3) . . ?
O39 W10 O28 85.2(3) . . ?
O6 W11 O15 102.0(4) . . ?
O6 W11 O19 170.3(3) . . ?
O6 W11 O28 101.0(4) . . ?
O6 W11 O33 100.9(4) . . ?
O6 W11 O38 102.2(3) . . ?
O15 W11 O19 83.9(3) . . ?
O15 W11 O33 83.9(3) . . ?
O28 W11 O15 157.0(3) . . ?
O28 W11 O19 73.2(3) . . ?
O28 W11 O33 90.7(3) . . ?
O28 W11 O38 89.8(3) . . ?
O33 W11 O19 71.7(3) . . ?
O38 W11 O15 86.5(3) . . ?
O38 W11 O19 85.8(3) . . ?
O38 W11 O33 156.3(3) . . ?
O9 W12 O16 102.7(4) . . ?
O9 W12 O19 168.6(3) . . ?
O9 W12 O29 101.3(4) . . ?
O9 W12 O31 103.5(3) . . ?
O9 W12 O33 101.0(4) . . ?
O16 W12 O19 86.7(3) . . ?
O16 W12 O29 155.3(3) . . ?
O16 W12 O31 85.6(3) . . ?
O29 W12 O19 70.2(3) . . ?
O31 W12 O19 83.5(3) . . ?
O31 W12 O29 83.1(3) . . ?
O33 W12 O16 89.7(3) . . ?
O33 W12 O19 72.3(3) . . ?
O33 W12 O29 91.5(3) . . ?
O33 W12 O31 155.5(3) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 361.7 115.4 ?
2 0.500 0.500 0.000 361.7 115.4 ?

_olex2_submission_special_instructions 'No special instructions were received'
