#------------------------------------------------------------------------------
#$Date: 2015-10-09 14:36:09 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161812 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/58/7035855.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_7035855
loop_
_publ_author_name
'Hu, Yang-Yang'
'Xiao-Zhang, ?'
'Zhao, De-Chuan'
'Guo, Hai-Yang'
'Fu, Li-Wei'
'Guo, Lan-Lan'
'Cui, Xiao-Bing'
'Huo, Qi-Sheng'
'Xu, Ji-Qing'
_publ_section_title
;
 Tuning the structures based on polyoxometalates from 1-D to 2-D by using
 different secondary organic ligands.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14830
_journal_page_last               14841
_journal_paper_doi               10.1039/c5dt02060c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C32 H36 Cu N10 O44 Si W12'
_chemical_formula_weight         3562.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-07-14 deposited with the CCDC.
2015-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                110.47(3)
_cell_angle_beta                 97.61(3)
_cell_angle_gamma                111.72(3)
_cell_formula_units_Z            1
_cell_length_a                   11.098(2)
_cell_length_b                   12.728(3)
_cell_length_c                   13.176(3)
_cell_measurement_reflns_used    5721
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8590
_cell_measurement_theta_min      3.4220
_cell_volume                     1544.8(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9737
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.851
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.851
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12854
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.851
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.049
_diffrn_reflns_theta_min         3.073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    22.702
_exptl_absorpt_correction_T_max  0.175
_exptl_absorpt_correction_T_min  0.049
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            dark_green
_exptl_crystal_density_diffrn    3.829
_exptl_crystal_description       block
_exptl_crystal_F_000             1581
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.703
_refine_diff_density_min         -2.671
_refine_diff_density_rms         0.358
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         7017
_refine_ls_number_restraints     420
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0695
_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)+(0.0083P)²+139.3043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1401
_refine_ls_wR_factor_ref         0.1468
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6022
_reflns_number_total             7017
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt02060c2.cif
_cod_data_source_block           shelx_1
_cod_depositor_comments
'Adding full bibliography for 7035855--7035860.cif.'
_cod_original_cell_volume        1544.8(7)
_cod_database_code               7035855
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.064
_shelx_estimated_absorpt_t_max   0.189
_exptl_absorpt_special_details
;  
R(int) was 0.0382 before and 0.0319 after correction. The Ratio of minimum to 
maximum transmission is 0.28.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
W1 W 0.25654(9) 0.90758(10) 0.44721(8) 0.0414(2) Uani 1 1 d . . .
W2 W -0.04573(10) 0.69870(8) 0.46547(8) 0.0441(3) Uani 1 1 d . . .
W3 W 0.30057(8) 1.20759(8) 0.47915(7) 0.03089(19) Uani 1 1 d . . .
W4 W -0.05058(10) 0.77163(9) 0.23143(7) 0.0409(2) Uani 1 1 d . . .
W5 W 0.00895(9) 0.92893(8) 0.73610(7) 0.0332(2) Uani 1 1 d . . .
W6 W -0.30987(8) 0.86107(8) 0.28348(6) 0.02951(19) Uani 1 1 d . . .
Si1 Si 0.0000 1.0000 0.5000 0.0222(14) Uani 1 2 d S . P
O1 O 0.035(3) 0.878(3) 0.429(3) 0.048(5) Uani 0.5 1 d . U P
O2 O -0.067(3) 0.896(3) 0.546(3) 0.047(5) Uani 0.5 1 d . U P
O3 O 0.158(3) 1.052(3) 0.530(3) 0.048(5) Uani 0.5 1 d . U P
O4 O -0.073(3) 0.946(3) 0.367(3) 0.044(4) Uani 0.5 1 d . U P
O5 O -0.232(2) 0.7589(17) 0.2155(17) 0.065(4) Uani 1 1 d . U .
O6 O -0.4532(19) 0.7941(17) 0.1796(16) 0.064(5) Uani 1 1 d . U .
O7 O 0.0107(19) 0.7888(18) 0.6268(16) 0.065(4) Uani 1 1 d . U .
O8 O -0.0761(16) 0.6638(15) 0.1004(14) 0.045(4) Uani 1 1 d . U .
O9 O -0.324(2) 0.9942(16) 0.3931(15) 0.054(4) Uani 1 1 d . U .
O10 O -0.0741(17) 0.5541(15) 0.4496(14) 0.048(4) Uani 1 1 d . U .
O11 O -0.357(2) 0.7668(17) 0.3676(16) 0.059(4) Uani 1 1 d . U .
O12 O 0.0132(18) 0.898(2) 0.8505(15) 0.060(5) Uani 1 1 d . U .
O13 O 0.221(2) 1.3136(19) 0.5332(15) 0.071(5) Uani 1 1 d . U .
O14 O 0.316(2) 1.0569(17) 0.4287(15) 0.060(4) Uani 1 1 d . U .
O15 O 0.3794(17) 0.8658(15) 0.4221(14) 0.047(4) Uani 1 1 d . U .
O16 O 0.4454(18) 1.3059(17) 0.4710(14) 0.060(5) Uani 1 1 d . U .
O17 O 0.003(2) 1.0834(17) 0.7979(18) 0.069(5) Uani 1 1 d . U .
O18 O -0.195(2) 0.9831(16) 0.2416(17) 0.063(4) Uani 1 1 d . U .
O19 O -0.186(2) 0.8521(19) 0.6694(18) 0.075(5) Uani 1 1 d . U .
O20 O -0.090(2) 0.673(2) 0.3133(17) 0.074(4) Uani 1 1 d . U .
O21 O 0.141(2) 0.773(2) 0.4747(16) 0.075(4) Uani 1 1 d . U .
O22 O 0.134(2) 0.830(2) 0.2994(17) 0.077(4) Uani 1 1 d . U .
Cu1 Cu 0.0000 0.5000 0.0000 0.0344(8) Uani 1 2 d S . P
O24 O -0.2012(19) 0.3110(18) 0.1533(16) 0.063(5) Uani 1 1 d . U .
O23 O -0.1508(15) 0.3852(15) 0.0272(13) 0.044(4) Uani 1 1 d . U .
N1 N 0.1049(17) 0.5179(15) 0.1414(14) 0.033(4) Uani 1 1 d . . .
C1 C 0.239(2) 0.588(2) 0.196(2) 0.044(6) Uani 1 1 d . . .
H1A H 0.2924 0.6353 0.1647 0.053 Uiso 1 1 calc R U .
C2 C 0.299(3) 0.592(2) 0.293(2) 0.052(6) Uani 1 1 d . . .
H2A H 0.3913 0.6440 0.3287 0.062 Uiso 1 1 calc R U .
C3 C 0.222(3) 0.519(3) 0.339(2) 0.058(7) Uani 1 1 d . . .
H3A H 0.2644 0.5184 0.4046 0.069 Uiso 1 1 calc R U .
C4 C 0.081(3) 0.445(2) 0.289(2) 0.049(6) Uani 1 1 d . . .
H4A H 0.0262 0.3973 0.3199 0.058 Uiso 1 1 calc R U .
C5 C 0.030(2) 0.4512(19) 0.1898(18) 0.033(4) Uani 1 1 d . . .
C6 C -0.116(2) 0.376(2) 0.1187(18) 0.038(5) Uani 1 1 d . . .
N3 N 0.370(3) 0.329(2) 0.2263(18) 0.065(7) Uani 1 1 d . . .
N2 N 0.180(3) 0.231(3) 0.064(3) 0.093(10) Uani 1 1 d . . .
H2B H 0.1466 0.2115 -0.0062 0.112 Uiso 1 1 calc R U .
H2C H 0.1278 0.1997 0.0998 0.112 Uiso 1 1 calc R U .
C7 C 0.388(3) 0.353(3) 0.057(2) 0.067(9) Uani 1 1 d . . .
H7A H 0.3470 0.3390 -0.0156 0.081 Uiso 1 1 calc R U .
C8 C 0.526(4) 0.422(4) 0.101(4) 0.113(17) Uani 1 1 d . . .
H8A H 0.5782 0.4466 0.0560 0.135 Uiso 1 1 calc R U .
C9 C 0.587(4) 0.454(3) 0.210(3) 0.094(14) Uani 1 1 d . . .
H9A H 0.6793 0.5078 0.2436 0.113 Uiso 1 1 calc R U .
C10 C 0.509(4) 0.406(3) 0.274(2) 0.088(12) Uani 1 1 d . . .
H10A H 0.5513 0.4254 0.3489 0.105 Uiso 1 1 calc R U .
C11 C 0.305(3) 0.304(3) 0.116(2) 0.058(7) Uani 1 1 d . . .
N5 N 0.541(2) 0.1491(19) 0.1216(18) 0.051(5) Uani 1 1 d . . .
H5A H 0.6077 0.2040 0.1134 0.061 Uiso 1 1 calc R U .
N4 N 0.684(3) 0.201(3) 0.293(3) 0.101(11) Uani 1 1 d . . .
H4B H 0.7463 0.2589 0.2839 0.121 Uiso 1 1 calc R U .
H4C H 0.7006 0.1891 0.3527 0.121 Uiso 1 1 calc R U .
C16 C 0.451(3) 0.042(3) 0.228(3) 0.064(8) Uani 1 1 d . . .
H16A H 0.4663 0.0286 0.2928 0.076 Uiso 1 1 calc R U .
C15 C 0.330(3) -0.017(3) 0.156(3) 0.088(12) Uani 1 1 d . . .
H15A H 0.2585 -0.0731 0.1690 0.106 Uiso 1 1 calc R U .
C14 C 0.308(3) 0.005(3) 0.056(3) 0.079(10) Uani 1 1 d . . .
H14A H 0.2221 -0.0355 0.0032 0.095 Uiso 1 1 calc R U .
C13 C 0.417(3) 0.086(2) 0.043(2) 0.056(7) Uani 1 1 d . . .
H13A H 0.4069 0.0992 -0.0221 0.068 Uiso 1 1 calc R U .
C12 C 0.558(3) 0.126(3) 0.211(2) 0.050(6) Uani 1 1 d . . .
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'
Cu Cu 0.3201 1.2651 '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'
Si Si 0.0817 0.0704 '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
O15 W1 O14 101.3(9) . .
O15 W1 O22 101.5(10) . .
O14 W1 O22 86.3(8) . .
O15 W1 O9 101.4(8) . 2_576
O14 W1 O9 88.8(7) . 2_576
O22 W1 O9 157.0(10) . 2_576
O15 W1 O21 100.6(10) . .
O14 W1 O21 158.1(10) . .
O22 W1 O21 88.5(8) . .
O9 W1 O21 87.7(8) 2_576 .
O15 W1 O1 155.8(11) . .
O14 W1 O1 95.2(10) . .
O22 W1 O1 61.8(11) . .
O9 W1 O1 96.4(10) 2_576 .
O21 W1 O1 63.8(10) . .
O15 W1 O3 156.5(10) . .
O14 W1 O3 62.9(10) . .
O22 W1 O3 94.9(11) . .
O9 W1 O3 63.0(9) 2_576 .
O21 W1 O3 96.5(11) . .
O1 W1 O3 47.6(12) . .
O10 W2 O20 101.0(9) . .
O10 W2 O13 99.1(9) . 2_576
O20 W2 O13 88.8(9) . 2_576
O10 W2 O21 102.3(9) . .
O20 W2 O21 88.6(8) . .
O13 W2 O21 158.6(10) 2_576 .
O10 W2 O7 101.4(8) . .
O20 W2 O7 157.6(9) . .
O13 W2 O7 87.5(8) 2_576 .
O21 W2 O7 86.9(9) . .
O10 W2 O1 156.5(11) . .
O20 W2 O1 62.7(10) . .
O13 W2 O1 97.4(11) 2_576 .
O21 W2 O1 62.8(11) . .
O7 W2 O1 95.9(11) . .
O10 W2 O2 153.9(10) . .
O20 W2 O2 96.7(10) . .
O13 W2 O2 62.1(10) 2_576 .
O21 W2 O2 97.2(11) . .
O7 W2 O2 62.2(9) . .
O1 W2 O2 49.5(12) . .
O16 W3 O13 101.5(10) . .
O16 W3 O14 101.6(10) . .
O13 W3 O14 156.9(10) . .
O16 W3 O19 99.2(10) . 2_576
O13 W3 O19 88.6(8) . 2_576
O14 W3 O19 87.8(8) . 2_576
O16 W3 O11 100.4(8) . 2_576
O13 W3 O11 85.7(8) . 2_576
O14 W3 O11 90.0(8) . 2_576
O19 W3 O11 160.2(10) 2_576 2_576
O16 W3 O2 158.7(10) . 2_576
O13 W3 O2 65.4(11) . 2_576
O14 W3 O2 92.6(10) . 2_576
O19 W3 O2 65.1(11) 2_576 2_576
O11 W3 O2 95.4(10) 2_576 2_576
O16 W3 O3 157.2(10) . .
O13 W3 O3 93.3(12) . .
O14 W3 O3 64.7(11) . .
O19 W3 O3 98.3(11) 2_576 .
O11 W3 O3 63.2(9) 2_576 .
O2 W3 O3 44.1(10) 2_576 .
O8 W4 O22 101.7(9) . .
O8 W4 O20 101.9(9) . .
O22 W4 O20 88.5(8) . .
O8 W4 O17 99.2(8) . 2_576
O22 W4 O17 88.1(9) . 2_576
O20 W4 O17 158.9(9) . 2_576
O8 W4 O5 99.7(8) . .
O22 W4 O5 158.6(10) . .
O20 W4 O5 88.0(9) . .
O17 W4 O5 87.7(8) 2_576 .
O8 W4 O1 156.2(10) . .
O22 W4 O1 61.5(11) . .
O20 W4 O1 63.1(10) . .
O17 W4 O1 97.2(10) 2_576 .
O5 W4 O1 98.2(11) . .
O8 W4 O4 155.2(9) . .
O22 W4 O4 96.3(11) . .
O20 W4 O4 95.3(10) . .
O17 W4 O4 64.4(9) 2_576 .
O5 W4 O4 63.0(10) . .
O1 W4 O4 48.6(11) . .
O12 W5 O7 102.5(10) . .
O12 W5 O18 100.6(9) . 2_576
O7 W5 O18 88.1(8) . 2_576
O12 W5 O17 99.4(10) . .
O7 W5 O17 158.1(9) . .
O18 W5 O17 88.6(8) 2_576 .
O12 W5 O19 98.9(10) . .
O7 W5 O19 88.6(8) . .
O18 W5 O19 160.4(10) 2_576 .
O17 W5 O19 87.3(9) . .
O12 W5 O2 158.2(11) . .
O7 W5 O2 65.2(10) . .
O18 W5 O2 97.0(11) 2_576 .
O17 W5 O2 93.8(11) . .
O19 W5 O2 64.2(11) . .
O12 W5 O4 156.6(11) . 2_576
O7 W5 O4 93.9(10) . 2_576
O18 W5 O4 63.0(10) 2_576 2_576
O17 W5 O4 65.5(10) . 2_576
O19 W5 O4 98.1(11) . 2_576
O2 W5 O4 45.2(11) . 2_576
O6 W6 O5 98.5(10) . .
O6 W6 O9 103.1(10) . .
O5 W6 O9 158.4(9) . .
O6 W6 O11 101.8(9) . .
O5 W6 O11 87.0(8) . .
O9 W6 O11 90.3(8) . .
O6 W6 O18 100.6(9) . .
O5 W6 O18 87.8(8) . .
O9 W6 O18 86.6(7) . .
O11 W6 O18 157.5(9) . .
O6 W6 O4 156.8(11) . .
O5 W6 O4 65.6(10) . .
O9 W6 O4 93.2(10) . .
O11 W6 O4 94.3(9) . .
O18 W6 O4 63.6(9) . .
O6 W6 O3 160.0(12) . 2_576
O5 W6 O3 94.5(11) . 2_576
O9 W6 O3 65.2(10) . 2_576
O11 W6 O3 63.6(10) . 2_576
O18 W6 O3 95.0(10) . 2_576
O4 W6 O3 43.1(11) . 2_576
O3 Si1 O3 180.0 2_576 .
O3 Si1 O4 113.0(17) 2_576 2_576
O3 Si1 O4 67.0(17) . 2_576
O3 Si1 O4 67.0(17) 2_576 .
O3 Si1 O4 113.0(17) . .
O4 Si1 O4 180(3) 2_576 .
O3 Si1 O2 67.9(16) 2_576 .
O3 Si1 O2 112.1(16) . .
O4 Si1 O2 69.4(16) 2_576 .
O4 Si1 O2 110.6(16) . .
O3 Si1 O2 112.1(16) 2_576 2_576
O3 Si1 O2 67.9(16) . 2_576
O4 Si1 O2 110.6(16) 2_576 2_576
O4 Si1 O2 69.4(16) . 2_576
O2 Si1 O2 180.0 . 2_576
O3 Si1 O1 72.1(17) 2_576 2_576
O3 Si1 O1 107.9(17) . 2_576
O4 Si1 O1 72.6(15) 2_576 2_576
O4 Si1 O1 107.4(15) . 2_576
O2 Si1 O1 105.4(16) . 2_576
O2 Si1 O1 74.6(16) 2_576 2_576
O3 Si1 O1 107.9(17) 2_576 .
O3 Si1 O1 72.1(17) . .
O4 Si1 O1 107.4(15) 2_576 .
O4 Si1 O1 72.6(15) . .
O2 Si1 O1 74.6(16) . .
O2 Si1 O1 105.4(16) 2_576 .
O1 Si1 O1 179.998(12) 2_576 .
Si1 O1 W1 121.0(17) . .
Si1 O1 W4 119.3(15) . .
W1 O1 W4 98.1(14) . .
Si1 O1 W2 118.6(17) . .
W1 O1 W2 97.9(12) . .
W4 O1 W2 96.9(12) . .
Si1 O2 O3 54.5(14) . 2_576
Si1 O2 W3 124.1(16) . 2_576
O3 O2 W3 69.5(16) 2_576 2_576
Si1 O2 W5 123.6(18) . .
O3 O2 W5 138(2) 2_576 .
W3 O2 W5 96.9(12) 2_576 .
Si1 O2 W2 117.3(18) . .
O3 O2 W2 126(2) 2_576 .
W3 O2 W2 93.7(11) 2_576 .
W5 O2 W2 93.8(10) . .
Si1 O3 O4 57.4(16) . 2_576
Si1 O3 O2 57.5(15) . 2_576
O4 O3 O2 97(2) 2_576 2_576
Si1 O3 W6 125.0(19) . 2_576
O4 O3 W6 67.6(15) 2_576 2_576
O2 O3 W6 136(2) 2_576 2_576
Si1 O3 W3 123.9(15) . .
O4 O3 W3 135(2) 2_576 .
O2 O3 W3 66.3(14) 2_576 .
W6 O3 W3 94.9(12) 2_576 .
Si1 O3 W1 119.3(17) . .
O4 O3 W1 127.8(18) 2_576 .
O2 O3 W1 126(2) 2_576 .
W6 O3 W1 92.9(11) 2_576 .
W3 O3 W1 92.5(12) . .
Si1 O4 O3 55.7(15) . 2_576
Si1 O4 W6 124.9(18) . .
O3 O4 W6 69.3(15) 2_576 .
Si1 O4 W5 121.9(17) . 2_576
O3 O4 W5 134.8(19) 2_576 2_576
W6 O4 W5 95.3(10) . 2_576
Si1 O4 W4 119.5(15) . .
O3 O4 W4 129.1(18) 2_576 .
W6 O4 W4 94.5(12) . .
W5 O4 W4 93.1(11) 2_576 .
W6 O5 W4 136.7(11) . .
W5 O7 W2 138.5(11) . .
W6 O9 W1 138.3(10) . 2_576
W6 O11 W3 137.0(11) . 2_576
W3 O13 W2 138.6(11) . 2_576
W3 O14 W1 139.3(12) . .
W5 O17 W4 136.7(12) . 2_576
W5 O18 W6 137.6(12) 2_576 .
W3 O19 W5 133.4(14) 2_576 .
W2 O20 W4 137.2(12) . .
W2 O21 W1 135.4(13) . .
W4 O22 W1 138.3(13) . .
O23 Cu1 O23 180.0 . 2_565
O23 Cu1 N1 96.6(7) . 2_565
O23 Cu1 N1 83.4(7) 2_565 2_565
O23 Cu1 N1 83.4(7) . .
O23 Cu1 N1 96.6(7) 2_565 .
N1 Cu1 N1 180.0 2_565 .
C6 O23 Cu1 113.1(14) . .
C5 N1 C1 116.8(19) . .
C5 N1 Cu1 114.1(14) . .
C1 N1 Cu1 129.1(16) . .
C2 C1 N1 123(2) . .
C1 C2 C3 119(2) . .
C2 C3 C4 121(2) . .
C5 C4 C3 114(2) . .
N1 C5 C4 125(2) . .
N1 C5 C6 111.2(17) . .
C4 C5 C6 123(2) . .
O24 C6 O23 122(2) . .
O24 C6 C5 120(2) . .
O23 C6 C5 118.2(18) . .
C10 N3 C11 120(3) . .
C8 C7 C11 124(3) . .
C9 C8 C7 119(4) . .
C8 C9 C10 120(3) . .
N3 C10 C9 120(2) . .
N2 C11 C7 120(3) . .
N2 C11 N3 123(3) . .
C7 C11 N3 117(3) . .
C12 N5 C13 119(2) . .
C15 C16 C12 121(3) . .
C16 C15 C14 119(3) . .
C13 C14 C15 117(3) . .
C14 C13 N5 122(3) . .
N5 C12 C16 122(2) . .
N5 C12 N4 116(3) . .
C16 C12 N4 121(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O15 1.668(16) .
W1 O14 1.883(18) .
W1 O22 1.889(19) .
W1 O9 1.897(18) 2_576
W1 O21 1.910(19) .
W1 O1 2.31(4) .
W1 O3 2.48(4) .
W2 O10 1.678(16) .
W2 O20 1.877(18) .
W2 O13 1.90(2) 2_576
W2 O21 1.90(2) .
W2 O7 1.907(19) .
W2 O1 2.36(3) .
W2 O2 2.48(3) .
W3 O16 1.677(16) .
W3 O13 1.86(2) .
W3 O14 1.878(18) .
W3 O19 1.899(19) 2_576
W3 O11 1.905(18) 2_576
W3 O2 2.35(3) 2_576
W3 O3 2.40(3) .
W4 O8 1.694(16) .
W4 O22 1.87(2) .
W4 O20 1.901(18) .
W4 O17 1.91(2) 2_576
W4 O5 1.93(2) .
W4 O1 2.33(3) .
W4 O4 2.44(3) .
W5 O12 1.687(16) .
W5 O7 1.869(19) .
W5 O18 1.875(19) 2_576
W5 O17 1.878(19) .
W5 O19 1.94(2) .
W5 O2 2.36(3) .
W5 O4 2.41(3) 2_576
W6 O6 1.654(16) .
W6 O5 1.86(2) .
W6 O9 1.880(17) .
W6 O11 1.887(17) .
W6 O18 1.912(17) .
W6 O4 2.36(3) .
W6 O3 2.39(3) 2_576
Si1 O3 1.57(3) 2_576
Si1 O3 1.57(3) .
Si1 O4 1.60(3) 2_576
Si1 O4 1.60(3) .
Si1 O2 1.62(3) .
Si1 O2 1.62(3) 2_576
Si1 O1 1.72(4) 2_576
Si1 O1 1.72(4) .
O2 O3 1.78(4) 2_576
O2 W3 2.35(3) 2_576
O3 O4 1.75(5) 2_576
O3 O2 1.78(4) 2_576
O3 W6 2.39(3) 2_576
O4 O3 1.75(5) 2_576
O4 W5 2.41(3) 2_576
O9 W1 1.897(18) 2_576
O11 W3 1.905(18) 2_576
O13 W2 1.90(2) 2_576
O17 W4 1.91(2) 2_576
O18 W5 1.875(19) 2_576
O19 W3 1.899(19) 2_576
Cu1 O23 1.944(15) .
Cu1 O23 1.945(15) 2_565
Cu1 N1 1.952(16) 2_565
Cu1 N1 1.952(16) .
O24 C6 1.26(3) .
O23 C6 1.28(2) .
N1 C5 1.35(3) .
N1 C1 1.35(3) .
C1 C2 1.32(3) .
C2 C3 1.39(4) .
C3 C4 1.40(4) .
C4 C5 1.40(3) .
C5 C6 1.50(3) .
N3 C10 1.39(4) .
N3 C11 1.41(3) .
N2 C11 1.27(4) .
C7 C8 1.37(4) .
C7 C11 1.38(4) .
C8 C9 1.35(5) .
C9 C10 1.41(5) .
N5 C12 1.31(3) .
N5 C13 1.35(3) .
N4 C12 1.39(4) .
C16 C15 1.30(4) .
C16 C12 1.38(3) .
C15 C14 1.45(5) .
C14 C13 1.35(4) .
