#------------------------------------------------------------------------------
#$Date: 2016-09-10 02:20:14 +0300 (Sat, 10 Sep 2016) $
#$Revision: 186363 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/57/7225724.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_7225724
loop_
_publ_author_name
'Zhao, Chunyan'
'Li, Shaobin'
'Ma, Huiyuan'
'Zhang, Chunjing'
'Pang, Haijun'
'Yu, Yan'
'Zhang, Zhuanfang'
_publ_section_title
;
 The factors affecting the assembly of Keggin--metal--bimb systems:
 charge/polarity of Keggin polyanions and coordination modes of metal
 cations
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              6233
_journal_paper_doi               10.1039/C6CE00880A
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C36 H34 B Cu N12 O42 W12'
_chemical_formula_weight         3587.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-04-15 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                96.4550(10)
_cell_angle_beta                 113.4620(10)
_cell_angle_gamma                104.4270(10)
_cell_formula_units_Z            1
_cell_length_a                   11.2301(6)
_cell_length_b                   12.9434(7)
_cell_length_c                   13.2453(8)
_cell_measurement_reflns_used    3573
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.22
_cell_volume                     1661.18(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12240
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    21.091
_exptl_absorpt_correction_T_max  0.003
_exptl_absorpt_correction_T_min  0.001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1572
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.28
_refine_diff_density_max         5.550
_refine_diff_density_min         -2.500
_refine_diff_density_rms         0.396
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         8158
_refine_ls_number_restraints     91
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0419P)²+84.9558P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1455
_refine_ls_wR_factor_ref         0.1525
_reflns_number_gt                6691
_reflns_number_total             8248
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce00880a2.cif
_cod_data_source_block           compound_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7225720--7225725.cif.
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7225724
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
W1 W 1.04324(7) 0.78071(5) 0.53716(6) 0.02357(16) Uani 1 1 d .
W2 W 0.96817(7) 0.62385(6) 0.27320(7) 0.02908(17) Uani 1 1 d .
W3 W 0.67865(7) 0.44304(6) 0.27105(7) 0.0361(2) Uani 1 1 d .
W4 W 1.28963(7) 0.68186(5) 0.50370(6) 0.02664(17) Uani 1 1 d .
W5 W 1.07526(7) 0.65680(6) 0.76258(6) 0.03048(18) Uani 1 1 d .
W6 W 0.75345(7) 0.59896(6) 0.53293(6) 0.02975(17) Uani 1 1 d .
Cu1 Cu 0.5000 1.0000 0.5000 0.0475(10) Uani 1 2 d S
C1 C 0.276(2) 0.5565(19) 0.064(2) 0.050(5) Uani 1 1 d U
H1A H 0.2610 0.5623 -0.0096 0.060 Uiso 1 1 calc R
C2 C 0.3167(18) 0.8779(15) 0.2659(15) 0.031(4) Uani 1 1 d .
H2A H 0.2524 0.8336 0.2836 0.038 Uiso 1 1 calc R
C3 C 0.3105(18) 0.8725(15) 0.1595(16) 0.032(4) Uani 1 1 d .
H3A H 0.2429 0.8239 0.0921 0.039 Uiso 1 1 calc R
C4 C 0.4649(18) 0.9777(14) 0.0862(13) 0.028(4) Uani 1 1 d .
C5 C 0.4969(18) 1.0015(14) 0.2827(13) 0.029(4) Uani 1 1 d .
H5A H 0.5810 1.0572 0.3146 0.035 Uiso 1 1 calc R
C6 C 0.5394(19) 1.0838(14) 0.0936(13) 0.028(4) Uani 1 1 d .
H6 H 0.5644 1.1405 0.1553 0.034 Uiso 1 1 calc R
C7 C 0.4240(17) 0.8960(14) -0.0078(13) 0.026(4) Uani 1 1 d .
H7 H 0.3706 0.8258 -0.0139 0.031 Uiso 1 1 calc R
C8 C 0.5180(18) 0.6854(16) 0.1731(15) 0.032(4) Uani 1 1 d .
C9 C 0.5956(19) 0.7718(16) 0.2661(15) 0.033(4) Uani 1 1 d .
H9A H 0.5700 0.7809 0.3244 0.040 Uiso 1 1 calc R
C10 C 0.551(2) 0.6696(15) 0.0836(15) 0.034(4) Uani 1 1 d .
H10A H 0.4978 0.6095 0.0221 0.041 Uiso 1 1 calc R
C11 C 0.188(3) 0.492(3) 0.098(2) 0.074(8) Uani 1 1 d .
H11A H 0.1013 0.4430 0.0489 0.089 Uiso 1 1 calc R
C12 C 0.3739(19) 0.5776(19) 0.2488(17) 0.042(5) Uani 1 1 d .
H12A H 0.4393 0.5984 0.3241 0.050 Uiso 1 1 calc R
C13 C 0.710(2) 0.8437(18) 0.2720(18) 0.043(5) Uani 1 1 d .
H13A H 0.7661 0.9004 0.3364 0.052 Uiso 1 1 calc R
C14 C 0.743(2) 0.8327(17) 0.1814(18) 0.040(5) Uani 1 1 d .
C15 C 0.664(2) 0.7436(16) 0.0875(17) 0.038(5) Uani 1 1 d .
H15A H 0.6879 0.7350 0.0282 0.046 Uiso 1 1 calc R
C16 C 0.986(2) 0.9507(16) 0.2719(17) 0.039(5) Uani 1 1 d .
H16A H 1.0140 0.9299 0.3405 0.047 Uiso 1 1 calc R
C17 C 0.989(3) 1.032(3) 0.136(3) 0.075(8) Uani 1 1 d U
H17A H 1.0209 1.0784 0.0965 0.090 Uiso 1 1 calc R
C18 C 0.863(3) 0.961(3) 0.098(3) 0.079(8) Uani 1 1 d U
H18A H 0.7900 0.9470 0.0264 0.095 Uiso 1 1 calc R
N1 N 0.4337(17) 0.9594(12) 0.3408(11) 0.033(4) Uani 1 1 d .
N2 N 0.4260(14) 0.9547(11) 0.1733(11) 0.025(3) Uani 1 1 d .
N3 N 0.3923(15) 0.6109(13) 0.1642(13) 0.032(3) Uani 1 1 d .
N4 N 0.8613(18) 0.9112(15) 0.1863(16) 0.043(4) Uani 1 1 d .
N5 N 1.0624(19) 1.0233(16) 0.2437(19) 0.055(5) Uani 1 1 d .
N6 N 0.2439(18) 0.5082(18) 0.2079(16) 0.055(5) Uani 1 1 d .
B1 B 1.0000 0.5000 0.5000 0.015(4) Uani 1 2 d SU
O1 O 0.5226(14) 0.4175(11) 0.1627(11) 0.036(3) Uani 1 1 d U
O2 O 0.6360(16) 0.6481(14) 0.5505(16) 0.055(4) Uani 1 1 d .
O3 O 0.664(2) 0.5484(17) 0.3742(18) 0.077(6) Uani 1 1 d U
O4 O 0.8799(17) 0.6284(14) 0.6851(14) 0.055(4) Uani 1 1 d U
O5 O 0.8589(15) 0.7249(17) 0.5181(13) 0.067(6) Uani 1 1 d .
O6 O 1.0626(15) 0.9157(11) 0.5541(15) 0.057(5) Uani 1 1 d .
O7 O 0.9741(15) 0.7414(16) 0.3786(12) 0.058(5) Uani 1 1 d .
O8 O 0.633(3) 0.3341(13) 0.3450(13) 0.088(8) Uani 1 1 d .
O9 O 1.2189(15) 0.7830(15) 0.5550(12) 0.052(4) Uani 1 1 d .
O10 O 1.311(2) 0.5491(16) 0.4523(17) 0.072(5) Uani 1 1 d U
O11 O 1.4291(14) 0.7727(12) 0.5040(13) 0.049(4) Uani 1 1 d .
O12 O 0.780(2) 0.5615(17) 0.2319(18) 0.079(6) Uani 1 1 d U
O13 O 1.1629(15) 0.6652(12) 0.3557(13) 0.044(3) Uani 1 1 d U
O14 O 1.253(2) 0.6517(16) 0.7962(17) 0.068(5) Uani 1 1 d U
O15 O 1.1067(13) 0.7280(12) 0.8909(10) 0.038(3) Uani 1 1 d .
O16 O 1.1034(18) 0.7683(14) 0.6910(15) 0.057(4) Uani 1 1 d U
O17 O 0.9586(15) 0.6862(13) 0.1682(12) 0.045(4) Uani 1 1 d .
O19 O 1.0535(18) 0.6015(14) 0.4730(15) 0.010(3) Uani 0.50 1 d PU
O20 O 0.929(2) 0.4884(16) 0.3672(17) 0.017(4) Uani 0.50 1 d PU
O21 O 0.965(2) 0.4856(17) 0.2072(18) 0.077(6) Uani 1 1 d U
O18 O 1.022(2) 0.4021(16) 0.4462(18) 0.018(4) Uani 0.50 1 d PU
O22 O 0.843(2) 0.4726(17) 0.468(2) 0.023(5) Uani 0.50 1 d P
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'
B B 0.0013 0.0007 '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'
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
O6 W1 O7 98.9(9) . .
O6 W1 O9 100.4(8) . .
O7 W1 O9 90.7(6) . .
O6 W1 O16 100.6(8) . .
O7 W1 O16 160.5(8) . .
O9 W1 O16 86.5(7) . .
O6 W1 O5 99.9(9) . .
O7 W1 O5 88.3(7) . .
O9 W1 O5 159.6(9) . .
O16 W1 O5 87.7(7) . .
O6 W1 O18 160.1(8) . 2_766
O7 W1 O18 94.3(8) . 2_766
O9 W1 O18 94.3(8) . 2_766
O16 W1 O18 66.7(7) . 2_766
O5 W1 O18 65.5(8) . 2_766
O6 W1 O19 160.7(8) . .
O7 W1 O19 68.4(7) . .
O9 W1 O19 66.6(7) . .
O16 W1 O19 92.9(7) . .
O5 W1 O19 94.3(8) . .
O18 W1 O19 39.2(6) 2_766 .
O17 W2 O12 99.8(8) . .
O17 W2 O21 99.6(8) . .
O12 W2 O21 88.2(9) . .
O17 W2 O13 99.1(7) . .
O12 W2 O13 161.1(8) . .
O21 W2 O13 89.4(8) . .
O17 W2 O7 98.8(8) . .
O12 W2 O7 88.5(8) . .
O21 W2 O7 161.6(9) . .
O13 W2 O7 87.9(6) . .
O17 W2 O20 160.5(8) . .
O12 W2 O20 68.3(8) . .
O21 W2 O20 65.8(8) . .
O13 W2 O20 93.7(7) . .
O7 W2 O20 96.3(8) . .
O17 W2 O19 157.4(7) . .
O12 W2 O19 96.5(8) . .
O21 W2 O19 96.4(8) . .
O13 W2 O19 65.1(6) . .
O7 W2 O19 66.0(7) . .
O20 W2 O19 42.0(6) . .
O1 W3 O8 99.1(8) . .
O1 W3 O3 97.3(8) . .
O8 W3 O3 89.6(8) . .
O1 W3 O14 99.8(7) . 2_766
O8 W3 O14 88.6(8) . 2_766
O3 W3 O14 162.8(9) . 2_766
O1 W3 O12 98.4(8) . .
O8 W3 O12 162.5(10) . .
O3 W3 O12 89.0(9) . .
O14 W3 O12 87.6(9) 2_766 .
O1 W3 O22 155.9(7) . .
O8 W3 O22 64.9(8) . .
O3 W3 O22 66.2(8) . .
O14 W3 O22 97.7(8) 2_766 .
O12 W3 O22 98.7(8) . .
O1 W3 O20 157.5(7) . .
O8 W3 O20 98.0(9) . .
O3 W3 O20 97.2(8) . .
O14 W3 O20 66.2(7) 2_766 .
O12 W3 O20 64.8(8) . .
O22 W3 O20 46.6(7) . .
O11 W4 O13 99.2(7) . .
O11 W4 O10 99.5(8) . .
O13 W4 O10 87.1(8) . .
O11 W4 O9 98.8(8) . .
O13 W4 O9 89.9(6) . .
O10 W4 O9 161.7(8) . .
O11 W4 O8 100.1(10) . 2_766
O13 W4 O8 160.7(9) . 2_766
O10 W4 O8 90.1(8) . 2_766
O9 W4 O8 86.8(7) . 2_766
O11 W4 O22 159.6(8) . 2_766
O13 W4 O22 94.6(7) . 2_766
O10 W4 O22 66.1(8) . 2_766
O9 W4 O22 96.1(8) . 2_766
O8 W4 O22 66.9(9) 2_766 2_766
O11 W4 O19 158.9(7) . .
O13 W4 O19 67.3(6) . .
O10 W4 O19 96.1(7) . .
O9 W4 O19 66.2(7) . .
O8 W4 O19 94.0(9) 2_766 .
O22 W4 O19 41.5(7) 2_766 .
O15 W5 O16 101.6(7) . .
O15 W5 O14 99.0(8) . .
O16 W5 O14 89.7(8) . .
O15 W5 O21 96.2(8) . 2_766
O16 W5 O21 162.2(8) . 2_766
O14 W5 O21 87.3(9) . 2_766
O15 W5 O4 99.1(7) . .
O16 W5 O4 90.1(7) . .
O14 W5 O4 161.6(8) . .
O21 W5 O4 87.2(8) 2_766 .
O15 W5 O20 156.1(7) . 2_766
O16 W5 O20 98.6(7) . 2_766
O14 W5 O20 68.3(8) . 2_766
O21 W5 O20 64.1(8) 2_766 2_766
O4 W5 O20 93.6(7) . 2_766
O15 W5 O18 158.9(7) . 2_766
O16 W5 O18 64.9(7) . 2_766
O14 W5 O18 97.2(8) . 2_766
O21 W5 O18 98.0(8) 2_766 2_766
O4 W5 O18 66.2(7) . 2_766
O20 W5 O18 44.6(7) 2_766 2_766
O2 W6 O5 98.6(9) . .
O2 W6 O4 98.9(8) . .
O5 W6 O4 89.7(7) . .
O2 W6 O3 98.7(9) . .
O5 W6 O3 89.4(8) . .
O4 W6 O3 162.3(8) . .
O2 W6 O10 99.3(8) . 2_766
O5 W6 O10 161.9(9) . 2_766
O4 W6 O10 85.6(8) . 2_766
O3 W6 O10 89.9(9) . 2_766
O2 W6 O22 158.4(8) . .
O5 W6 O22 98.3(8) . .
O4 W6 O22 94.5(8) . .
O3 W6 O22 68.1(9) . .
O10 W6 O22 64.8(8) 2_766 .
O2 W6 O18 157.9(8) . 2_766
O5 W6 O18 64.8(8) . 2_766
O4 W6 O18 67.9(7) . 2_766
O3 W6 O18 95.9(8) . 2_766
O10 W6 O18 97.3(7) 2_766 2_766
O22 W6 O18 43.8(7) . 2_766
N1 Cu1 N1 180.000(6) . 2_676
C11 C1 N3 104(2) . .
N1 C2 C3 108.1(14) . .
C2 C3 N2 105.8(15) . .
C7 C4 C6 119.7(15) . .
C7 C4 N2 120.2(15) . .
C6 C4 N2 120.1(15) . .
N1 C5 N2 111.5(14) . .
C7 C6 C4 119.0(15) 2_675 .
C4 C7 C6 121.3(16) . 2_675
C9 C8 C10 122.4(18) . .
C9 C8 N3 119.2(17) . .
C10 C8 N3 118.3(17) . .
C8 C9 C13 119.0(18) . .
C15 C10 C8 118.8(17) . .
N6 C11 C1 110(2) . .
N3 C12 N6 108.7(18) . .
C9 C13 C14 120.0(18) . .
C13 C14 C15 120.2(18) . .
C13 C14 N4 120(2) . .
C15 C14 N4 120.0(19) . .
C10 C15 C14 119.4(18) . .
N4 C16 N5 108.4(19) . .
C18 C17 N5 106(3) . .
C17 C18 N4 107(3) . .
C5 N1 C2 107.3(13) . .
C5 N1 Cu1 125.7(12) . .
C2 N1 Cu1 126.9(12) . .
C5 N2 C3 107.3(13) . .
C5 N2 C4 126.8(14) . .
C3 N2 C4 125.8(14) . .
C12 N3 C1 109.2(17) . .
C12 N3 C8 125.6(16) . .
C1 N3 C8 125.0(17) . .
C16 N4 C18 108(2) . .
C16 N4 C14 127.7(18) . .
C18 N4 C14 124(2) . .
C16 N5 C17 111(2) . .
C11 N6 C12 108(2) . .
O19 B1 O19 180.000(4) . 2_766
O19 B1 O18 114.2(10) . .
O19 B1 O18 65.8(10) 2_766 .
O19 B1 O18 65.8(10) . 2_766
O19 B1 O18 114.2(10) 2_766 2_766
O18 B1 O18 180.0(17) . 2_766
O19 B1 O20 69.7(10) . .
O19 B1 O20 110.3(10) 2_766 .
O18 B1 O20 73.3(11) . .
O18 B1 O20 106.7(11) 2_766 .
O19 B1 O20 110.3(10) . 2_766
O19 B1 O20 69.7(10) 2_766 2_766
O18 B1 O20 106.7(11) . 2_766
O18 B1 O20 73.3(11) 2_766 2_766
O20 B1 O20 180.000(7) . 2_766
O19 B1 O22 68.2(11) . 2_766
O19 B1 O22 111.8(10) 2_766 2_766
O18 B1 O22 71.2(11) . 2_766
O18 B1 O22 108.8(11) 2_766 2_766
O20 B1 O22 104.5(11) . 2_766
O20 B1 O22 75.5(11) 2_766 2_766
O19 B1 O22 111.8(10) . .
O19 B1 O22 68.2(11) 2_766 .
O18 B1 O22 108.8(11) . .
O18 B1 O22 71.2(11) 2_766 .
O20 B1 O22 75.5(11) . .
O20 B1 O22 104.5(11) 2_766 .
O22 B1 O22 180.000(3) 2_766 .
W6 O3 W3 133.1(12) . .
W6 O4 W5 134.2(9) . .
W6 O5 W1 136.0(12) . .
W1 O7 W2 134.6(10) . .
W3 O8 W4 134.3(12) . 2_766
W1 O9 W4 134.8(10) . .
W4 O10 W6 132.6(11) . 2_766
W2 O12 W3 132.8(12) . .
W4 O13 W2 137.0(8) . .
W5 O14 W3 133.3(11) . 2_766
W5 O16 W1 135.8(10) . .
B1 O19 O18 58.8(9) . 2_766
B1 O19 O22 59.3(10) . 2_766
O18 O19 O22 98.5(14) 2_766 2_766
B1 O19 O20 58.8(9) . .
O18 O19 O20 95.7(14) 2_766 .
O22 O19 O20 93.2(13) 2_766 .
B1 O19 W1 126.9(10) . .
O18 O19 W1 68.2(9) 2_766 .
O22 O19 W1 134.1(12) 2_766 .
O20 O19 W1 130.6(12) . .
B1 O19 W4 125.5(10) . .
O18 O19 W4 134.0(13) 2_766 .
O22 O19 W4 66.1(9) 2_766 .
O20 O19 W4 126.8(11) . .
W1 O19 W4 91.3(6) . .
B1 O19 W2 121.9(10) . .
O18 O19 W2 128.7(12) 2_766 .
O22 O19 W2 126.9(12) 2_766 .
O20 O19 W2 63.1(9) . .
W1 O19 W2 90.4(6) . .
W4 O19 W2 90.1(6) . .
B1 O20 O19 51.4(9) . .
B1 O20 W2 126.3(11) . .
O19 O20 W2 74.9(9) . .
B1 O20 W5 121.7(11) . 2_766
O19 O20 W5 136.2(12) . 2_766
W2 O20 W5 96.1(7) . 2_766
B1 O20 W3 118.3(10) . .
O19 O20 W3 130.5(12) . .
W2 O20 W3 94.0(7) . .
W5 O20 W3 92.3(7) 2_766 .
W2 O21 W5 133.7(12) . 2_766
B1 O18 O19 55.5(9) . 2_766
B1 O18 W1 128.1(11) . 2_766
O19 O18 W1 72.6(9) 2_766 2_766
B1 O18 W6 122.4(12) . 2_766
O19 O18 W6 135.6(14) 2_766 2_766
W1 O18 W6 93.3(7) 2_766 2_766
B1 O18 W5 120.3(11) . 2_766
O19 O18 W5 130.3(13) 2_766 2_766
W1 O18 W5 92.1(7) 2_766 2_766
W6 O18 W5 91.0(6) 2_766 2_766
B1 O22 O19 52.5(9) . 2_766
B1 O22 W4 124.8(12) . 2_766
O19 O22 W4 72.4(9) 2_766 2_766
B1 O22 W6 122.6(12) . .
O19 O22 W6 136.6(14) 2_766 .
W4 O22 W6 95.8(8) 2_766 .
B1 O22 W3 119.6(12) . .
O19 O22 W3 129.1(13) 2_766 .
W4 O22 W3 93.6(8) 2_766 .
W6 O22 W3 92.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O6 1.684(13) .
W1 O7 1.880(15) .
W1 O9 1.883(14) .
W1 O16 1.914(17) .
W1 O5 1.915(14) .
W1 O18 2.359(19) 2_766
W1 O19 2.426(18) .
W2 O17 1.666(14) .
W2 O12 1.89(2) .
W2 O21 1.89(2) .
W2 O13 1.910(15) .
W2 O7 1.915(16) .
W2 O20 2.32(2) .
W2 O19 2.509(18) .
W3 O1 1.686(14) .
W3 O8 1.886(19) .
W3 O3 1.91(2) .
W3 O14 1.914(19) 2_766
W3 O12 1.92(2) .
W3 O22 2.44(2) .
W3 O20 2.45(2) .
W4 O11 1.707(13) .
W4 O13 1.856(15) .
W4 O10 1.88(2) .
W4 O9 1.886(15) .
W4 O8 1.900(16) 2_766
W4 O22 2.34(2) 2_766
W4 O19 2.439(18) .
W5 O15 1.695(12) .
W5 O16 1.844(17) .
W5 O14 1.881(19) .
W5 O21 1.91(2) 2_766
W5 O4 1.929(17) .
W5 O20 2.38(2) 2_766
W5 O18 2.48(2) 2_766
W6 O2 1.681(14) .
W6 O5 1.842(17) .
W6 O4 1.872(17) .
W6 O3 1.88(2) .
W6 O10 1.93(2) 2_766
W6 O22 2.37(2) .
W6 O18 2.43(2) 2_766
Cu1 N1 1.893(13) .
Cu1 N1 1.893(13) 2_676
C1 C11 1.38(4) .
C1 N3 1.39(3) .
C2 N1 1.36(2) .
C2 C3 1.38(2) .
C3 N2 1.39(2) .
C4 C7 1.37(2) .
C4 C6 1.39(2) .
C4 N2 1.42(2) .
C5 N1 1.32(2) .
C5 N2 1.32(2) .
C6 C7 1.38(2) 2_675
C7 C6 1.38(2) 2_675
C8 C9 1.37(2) .
C8 C10 1.39(3) .
C8 N3 1.45(2) .
C9 C13 1.35(3) .
C10 C15 1.36(3) .
C11 N6 1.31(3) .
C12 N3 1.32(2) .
C12 N6 1.36(3) .
C13 C14 1.40(3) .
C14 C15 1.40(3) .
C14 N4 1.43(2) .
C16 N4 1.33(3) .
C16 N5 1.30(3) .
C17 C18 1.34(4) .
C17 N5 1.37(4) .
C18 N4 1.40(4) .
B1 O19 1.449(18) .
B1 O19 1.449(18) 2_766
B1 O18 1.504(19) .
B1 O18 1.504(19) 2_766
B1 O20 1.59(2) .
B1 O20 1.59(2) 2_766
B1 O22 1.57(2) 2_766
B1 O22 1.57(2) .
O8 W4 1.900(16) 2_766
O10 W6 1.93(2) 2_766
O14 W3 1.914(19) 2_766
O19 O18 1.60(3) 2_766
O19 O22 1.70(3) 2_766
O19 O20 1.74(3) .
O20 W5 2.38(2) 2_766
O21 W5 1.91(2) 2_766
O18 O19 1.60(3) 2_766
O18 W1 2.359(19) 2_766
O18 W6 2.43(2) 2_766
O18 W5 2.48(2) 2_766
O22 O19 1.70(3) 2_766
O22 W4 2.34(2) 2_766
