#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:29:14 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179581 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/46/4504692.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_4504692
loop_
_publ_author_name
'Ren, Yan-Ping'
'Kong, Xiang-Jian'
'Long, La-Sheng'
'Huang, Rong-Bin'
'Zheng, Lan-Sun'
_publ_section_title
;
 Anion-Dependent Assembly of Cyclic Structure
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              572
_journal_paper_doi               10.1021/cg050459a
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C40 H32 Cu3 N8 O40 P W12'
_chemical_formula_weight         3692.53
_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
_cell_angle_alpha                106.211(3)
_cell_angle_beta                 101.978(3)
_cell_angle_gamma                102.460(3)
_cell_formula_units_Z            1
_cell_length_a                   11.2758(19)
_cell_length_b                   12.141(2)
_cell_length_c                   13.492(2)
_cell_measurement_temperature    123(2)
_cell_volume                     1659.7(5)
_computing_cell_refinement       'SHELXTL-Plus (Sheldrick, 1990)'
_computing_data_collection       'SHELXTL-Plus (Sheldrick, 1990)'
_computing_data_reduction        'SHELXTL-Plus (Sheldrick, 1990)'
_computing_molecular_graphics    'SHELXTL V.5.0 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker Smart Apex 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  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12829
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    21.756
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.694
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1638
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.121
_refine_diff_density_min         -4.578
_refine_diff_density_rms         0.369
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         6399
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.297
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0629P)²+19.4443P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1247
_refine_ls_wR_factor_ref         0.1295
_reflns_number_gt                5661
_reflns_number_total             6399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050459asi20050907_112157.cif
_cod_data_source_block           complex_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4504692
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 0.94831(4) 0.65575(4) 0.24547(3) 0.02266(10) Uani 1 1 d .
W2 W 0.69706(4) 0.42121(4) 0.04250(3) 0.02416(10) Uani 1 1 d .
W3 W 1.24930(4) 0.73961(4) 0.20000(3) 0.02547(11) Uani 1 1 d .
W4 W 1.26023(4) 0.43952(5) 0.15032(4) 0.03705(13) Uani 1 1 d .
W5 W 0.98509(4) 0.80094(4) 0.05395(4) 0.03413(13) Uani 1 1 d .
W6 W 0.95642(4) 0.35203(5) 0.18718(3) 0.03272(13) Uani 1 1 d .
P1 P 1.0000 0.5000 0.0000 0.0211(9) Uani 1 2 d SD
O1 O 1.0375(10) 0.3992(7) 0.0451(9) 0.0294(19) Uani 0.50 1 d PD
O2 O 1.0312(10) 0.6278(7) 0.0886(9) 0.0294(19) Uani 0.50 1 d PD
O3 O 1.1473(6) 0.5484(10) 0.0370(10) 0.0294(19) Uani 0.50 1 d PD
O4 O 0.9109(7) 0.4843(10) 0.0716(8) 0.0294(19) Uani 0.50 1 d PD
O5 O 0.7880(8) 0.3417(7) 0.1193(8) 0.051(3) Uani 1 1 d .
O6 O 1.3233(11) 0.7106(9) 0.0856(7) 0.076(3) Uani 1 1 d .
O7 O 0.6735(11) 0.5135(8) -0.0468(7) 0.076(3) Uani 1 1 d .
O8 O 0.9314(8) 0.7601(8) 0.1657(8) 0.054(3) Uani 1 1 d .
O9 O 1.3644(9) 0.8542(10) 0.2970(7) 0.064(4) Uani 1 1 d .
O10 O 1.1237(8) 0.7150(8) 0.2745(8) 0.059(3) Uani 1 1 d .
O11 O 1.2879(11) 0.6029(8) 0.2248(7) 0.069(3) Uani 1 1 d .
O12 O 1.3809(8) 0.4105(8) 0.2233(7) 0.042(2) Uani 1 1 d .
O13 O 0.9708(8) 0.5154(7) 0.2692(7) 0.047(3) Uani 1 1 d .
O14 O 0.9785(8) 0.9416(8) 0.0827(7) 0.047(2) Uani 1 1 d .
O15 O 0.9347(9) 0.2838(7) 0.2782(6) 0.041(2) Uani 1 1 d .
O16 O 1.1764(9) 0.2915(13) 0.0409(9) 0.102(5) Uani 1 1 d .
O17 O 0.9536(10) 0.2261(14) 0.0683(9) 0.108(6) Uani 1 1 d .
O18 O 0.5560(8) 0.3809(9) 0.0645(9) 0.063(3) Uani 1 1 d .
O19 O 1.1538(7) 0.8235(8) 0.1346(8) 0.058(2) Uani 1 1 d .
O20 O 0.9259(10) 0.7293(12) 0.3617(8) 0.077(4) Uani 1 1 d .
O21 O 0.7813(8) 0.5629(7) 0.1602(7) 0.053(3) Uani 1 1 d .
O22 O 1.1355(8) 0.4006(13) 0.2200(9) 0.104(5) Uani 1 1 d .
Cu1 Cu 1.0000 0.5000 0.5000 0.0449(7) Uani 1 2 d S
Cu2 Cu 0.46579(13) 0.07880(13) 0.22733(11) 0.0328(4) Uani 1 1 d .
N1 N 0.3701(8) 0.1805(8) 0.3089(7) 0.028(2) Uani 1 1 d .
C1 C 0.2444(12) 0.1311(12) 0.2807(11) 0.046(4) Uani 1 1 d .
H1A H 0.2048 0.0659 0.2151 0.055 Uiso 1 1 calc R
C2 C 0.1720(10) 0.1711(12) 0.3429(12) 0.045(4) Uani 1 1 d .
H2A H 0.0833 0.1331 0.3205 0.054 Uiso 1 1 calc R
C3 C 0.2235(12) 0.2626(13) 0.4347(13) 0.055(4) Uani 1 1 d .
H3A H 0.1724 0.2896 0.4785 0.066 Uiso 1 1 calc R
C4 C 0.3539(12) 0.3188(13) 0.4662(11) 0.047(4) Uani 1 1 d .
H4A H 0.3927 0.3860 0.5304 0.056 Uiso 1 1 calc R
C5 C 0.4249(10) 0.2740(10) 0.4012(9) 0.028(3) Uani 1 1 d .
C6 C 0.5630(10) 0.3304(10) 0.4242(8) 0.027(3) Uani 1 1 d .
C7 C 0.6419(12) 0.3606(12) 0.5268(9) 0.038(3) Uani 1 1 d .
H7A H 0.6086 0.3477 0.5831 0.046 Uiso 1 1 calc R
C8 C 0.7699(11) 0.4098(12) 0.5457(9) 0.039(3) Uani 1 1 d .
H8A H 0.8244 0.4261 0.6153 0.047 Uiso 1 1 calc R
C9 C 0.7424(10) 0.4136(11) 0.3737(9) 0.034(3) Uani 1 1 d .
H9A H 0.7759 0.4362 0.3209 0.041 Uiso 1 1 calc R
C10 C 0.6146(10) 0.3595(11) 0.3479(9) 0.032(3) Uani 1 1 d .
H10A H 0.5619 0.3422 0.2774 0.039 Uiso 1 1 calc R
N2 N 0.8218(9) 0.4360(9) 0.4709(8) 0.038(3) Uani 1 1 d .
N3 N 0.3766(8) 0.0451(8) 0.0732(7) 0.029(2) Uani 1 1 d .
C11 C 0.3768(13) -0.0505(11) -0.4083(10) 0.042(3) Uani 1 1 d .
H11A H 0.4324 -0.0847 -0.4423 0.051 Uiso 1 1 calc R
C12 C 0.2886(14) -0.0153(13) -0.4685(10) 0.050(4) Uani 1 1 d .
H12A H 0.2810 -0.0266 -0.5423 0.060 Uiso 1 1 calc R
C13 C 0.2116(15) 0.0372(16) -0.4167(11) 0.064(5) Uani 1 1 d .
H13A H 0.1498 0.0642 -0.4549 0.077 Uiso 1 1 calc R
C14 C 0.2232(14) 0.0509(13) -0.3112(11) 0.054(4) Uani 1 1 d .
H14A H 0.1704 0.0874 -0.2751 0.065 Uiso 1 1 calc R
C15 C 0.3128(10) 0.0108(10) -0.2583(9) 0.031(3) Uani 1 1 d .
C16 C 0.3306(10) 0.0218(11) -0.1430(9) 0.030(3) Uani 1 1 d .
C17 C 0.3464(11) 0.1297(10) -0.0660(9) 0.034(3) Uani 1 1 d .
H17A H 0.3410 0.1977 -0.0863 0.041 Uiso 1 1 calc R
C18 C 0.3698(11) 0.1387(11) 0.0394(10) 0.037(3) Uani 1 1 d .
H18A H 0.3820 0.2143 0.0916 0.044 Uiso 1 1 calc R
C19 C 0.3508(12) -0.0621(9) -0.0056(9) 0.034(3) Uani 1 1 d .
H19A H 0.3481 -0.1316 0.0143 0.041 Uiso 1 1 calc R
C20 C 0.3292(12) -0.0743(10) -0.1100(9) 0.034(3) Uani 1 1 d .
H20A H 0.3127 -0.1513 -0.1617 0.040 Uiso 1 1 calc R
N4 N 0.3901(8) -0.0403(8) -0.3063(7) 0.028(2) 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'
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'
P P 0.1023 0.0942 '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
O20 W1 O10 101.5(5) . .
O20 W1 O13 101.5(6) . .
O10 W1 O13 89.0(4) . .
O20 W1 O8 102.5(6) . .
O10 W1 O8 87.8(4) . .
O13 W1 O8 156.0(4) . .
O20 W1 O21 102.7(5) . .
O10 W1 O21 155.8(5) . .
O13 W1 O21 87.1(3) . .
O8 W1 O21 86.2(4) . .
O20 W1 O2 157.5(5) . .
O10 W1 O2 63.7(4) . .
O13 W1 O2 95.3(4) . .
O8 W1 O2 62.1(4) . .
O21 W1 O2 92.8(4) . .
O18 W2 O21 102.0(5) . .
O18 W2 O7 104.1(6) . .
O21 W2 O7 89.4(4) . .
O18 W2 O5 100.4(5) . .
O21 W2 O5 87.4(4) . .
O7 W2 O5 155.5(5) . .
O18 W2 O6 100.6(5) . 2_765
O21 W2 O6 157.3(5) . 2_765
O7 W2 O6 87.4(4) . 2_765
O5 W2 O6 86.3(4) . 2_765
O18 W2 O3 163.5(5) . 2_765
O21 W2 O3 91.9(4) . 2_765
O7 W2 O3 66.7(5) . 2_765
O5 W2 O3 89.1(5) . 2_765
O6 W2 O3 66.2(4) 2_765 2_765
O18 W2 O4 160.9(5) . .
O21 W2 O4 65.4(4) . .
O7 W2 O4 90.5(5) . .
O5 W2 O4 66.1(4) . .
O6 W2 O4 92.1(4) 2_765 .
O3 W2 O4 35.4(4) 2_765 .
O9 W3 O19 100.8(5) . .
O9 W3 O6 102.0(5) . .
O19 W3 O6 90.0(4) . .
O9 W3 O11 102.7(5) . .
O19 W3 O11 156.3(4) . .
O6 W3 O11 87.4(4) . .
O9 W3 O10 100.7(4) . .
O19 W3 O10 87.1(4) . .
O6 W3 O10 157.3(4) . .
O11 W3 O10 86.3(5) . .
O9 W3 O2 156.0(5) . .
O19 W3 O2 62.7(3) . .
O6 W3 O2 95.7(4) . .
O11 W3 O2 94.1(4) . .
O10 W3 O2 63.1(4) . .
O12 W4 O16 102.8(5) . .
O12 W4 O7 103.3(5) . 2_765
O16 W4 O7 86.3(5) . 2_765
O12 W4 O11 101.7(4) . .
O16 W4 O11 155.5(6) . .
O7 W4 O11 87.6(4) 2_765 .
O12 W4 O22 99.9(5) . .
O16 W4 O22 87.1(5) . .
O7 W4 O22 156.7(5) 2_765 .
O11 W4 O22 89.3(5) . .
O12 W4 O1 155.8(3) . .
O16 W4 O1 60.2(5) . .
O7 W4 O1 93.2(4) 2_765 .
O11 W4 O1 96.5(4) . .
O22 W4 O1 64.3(5) . .
O14 W5 O8 101.0(5) . .
O14 W5 O16 104.1(6) . 2_765
O8 W5 O16 88.5(5) . 2_765
O14 W5 O17 104.2(7) . 2_765
O8 W5 O17 154.8(6) . 2_765
O16 W5 O17 87.0(5) 2_765 2_765
O14 W5 O19 101.5(4) . .
O8 W5 O19 87.3(4) . .
O16 W5 O19 154.4(6) 2_765 .
O17 W5 O19 86.1(5) 2_765 .
O14 W5 O1 160.7(4) . 2_765
O8 W5 O1 93.2(4) . 2_765
O16 W5 O1 62.9(5) 2_765 2_765
O17 W5 O1 62.8(6) 2_765 2_765
O19 W5 O1 92.1(4) . 2_765
O14 W5 O2 157.2(4) . .
O8 W5 O2 63.1(4) . .
O16 W5 O2 92.2(6) 2_765 .
O17 W5 O2 92.4(6) 2_765 .
O19 W5 O2 63.5(4) . .
O1 W5 O2 42.2(3) 2_765 .
O15 W6 O17 102.8(6) . .
O15 W6 O5 101.4(5) . .
O17 W6 O5 89.9(5) . .
O15 W6 O22 101.5(6) . .
O17 W6 O22 88.0(5) . .
O5 W6 O22 156.9(6) . .
O15 W6 O13 100.5(4) . .
O17 W6 O13 156.6(6) . .
O5 W6 O13 85.9(4) . .
O22 W6 O13 86.9(5) . .
O15 W6 O1 158.1(4) . .
O17 W6 O1 61.1(5) . .
O5 W6 O1 93.7(4) . .
O22 W6 O1 65.3(5) . .
O13 W6 O1 96.2(4) . .
O4 P1 O4 180.0(9) . 2_765
O4 P1 O3 52.7(6) . 2_765
O4 P1 O3 127.3(6) 2_765 2_765
O4 P1 O3 127.3(6) . .
O4 P1 O3 52.7(6) 2_765 .
O3 P1 O3 180.0(9) 2_765 .
O4 P1 O2 73.9(6) . .
O4 P1 O2 106.1(6) 2_765 .
O3 P1 O2 104.8(6) 2_765 .
O3 P1 O2 75.2(6) . .
O4 P1 O2 106.1(6) . 2_765
O4 P1 O2 73.9(6) 2_765 2_765
O3 P1 O2 75.2(6) 2_765 2_765
O3 P1 O2 104.8(6) . 2_765
O2 P1 O2 180.0(4) . 2_765
O4 P1 O1 77.2(6) . .
O4 P1 O1 102.8(6) 2_765 .
O3 P1 O1 101.3(6) 2_765 .
O3 P1 O1 78.7(6) . .
O2 P1 O1 115.0(6) . .
O2 P1 O1 65.0(6) 2_765 .
O4 P1 O1 102.8(6) . 2_765
O4 P1 O1 77.2(6) 2_765 2_765
O3 P1 O1 78.7(6) 2_765 2_765
O3 P1 O1 101.3(6) . 2_765
O2 P1 O1 65.0(6) . 2_765
O2 P1 O1 115.0(6) 2_765 2_765
O1 P1 O1 180.000(2) . 2_765
P1 O1 O2 56.9(4) . 2_765
P1 O1 W5 127.7(6) . 2_765
O2 O1 W5 70.8(4) 2_765 2_765
P1 O1 W6 120.6(6) . .
O2 O1 W6 133.3(6) 2_765 .
W5 O1 W6 95.1(3) 2_765 .
P1 O1 W4 118.6(4) . .
O2 O1 W4 132.2(7) 2_765 .
W5 O1 W4 94.6(3) 2_765 .
W6 O1 W4 92.0(4) . .
P1 O2 O1 58.0(4) . 2_765
P1 O2 W5 125.0(7) . .
O1 O2 W5 67.0(5) 2_765 .
P1 O2 W1 122.0(6) . .
O1 O2 W1 132.8(7) 2_765 .
W5 O2 W1 93.8(3) . .
P1 O2 W3 121.2(6) . .
O1 O2 W3 129.4(7) 2_765 .
W5 O2 W3 93.8(3) . .
W1 O2 W3 92.8(4) . .
O4 O3 P1 63.4(5) 2_765 .
O4 O3 W2 73.3(6) 2_765 2_765
P1 O3 W2 136.7(7) . 2_765
O3 O4 P1 64.0(5) 2_765 .
O3 O4 W2 71.3(5) 2_765 .
P1 O4 W2 135.3(6) . .
W6 O5 W2 140.0(5) . .
W3 O6 W2 137.2(6) . 2_765
W4 O7 W2 140.3(6) 2_765 .
W5 O8 W1 140.4(6) . .
W1 O10 W3 139.9(6) . .
W4 O11 W3 139.7(5) . .
W1 O13 W6 139.2(5) . .
W4 O16 W5 141.8(8) . 2_765
W6 O17 W5 140.2(9) . 2_765
W3 O19 W5 139.6(5) . .
W2 O21 W1 139.9(6) . .
W6 O22 W4 138.2(7) . .
N2 Cu1 N2 180.000(1) . 2_766
N4 Cu2 N3 136.3(4) 2_655 .
N4 Cu2 N1 120.6(4) 2_655 .
N3 Cu2 N1 103.1(4) . .
C1 N1 C5 118.4(11) . .
C1 N1 Cu2 115.0(8) . .
C5 N1 Cu2 124.5(7) . .
N1 C1 C2 122.1(11) . .
C3 C2 C1 120.8(11) . .
C2 C3 C4 119.1(14) . .
C5 C4 C3 118.3(12) . .
N1 C5 C4 121.2(10) . .
N1 C5 C6 115.9(10) . .
C4 C5 C6 122.8(10) . .
C10 C6 C7 118.3(11) . .
C10 C6 C5 122.1(10) . .
C7 C6 C5 119.5(11) . .
C8 C7 C6 118.5(12) . .
N2 C8 C7 123.4(11) . .
N2 C9 C10 122.5(12) . .
C9 C10 C6 119.9(11) . .
C9 N2 C8 117.1(10) . .
C9 N2 Cu1 121.1(9) . .
C8 N2 Cu1 121.8(8) . .
C18 N3 C19 115.7(10) . .
C18 N3 Cu2 118.4(7) . .
C19 N3 Cu2 123.7(8) . .
N4 C11 C12 124.7(14) . .
C11 C12 C13 116.7(13) . .
C14 C13 C12 120.5(15) . .
C13 C14 C15 118.5(15) . .
N4 C15 C14 122.5(12) . .
N4 C15 C16 115.9(10) . .
C14 C15 C16 121.6(12) . .
C20 C16 C17 117.3(11) . .
C20 C16 C15 121.6(10) . .
C17 C16 C15 121.1(12) . .
C18 C17 C16 119.8(12) . .
N3 C18 C17 123.0(11) . .
C20 C19 N3 123.0(11) . .
C19 C20 C16 121.0(10) . .
C11 N4 C15 117.2(11) . .
C11 N4 Cu2 119.2(9) . 2_655
C15 N4 Cu2 123.1(8) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O20 1.674(10) .
W1 O10 1.868(8) .
W1 O13 1.879(8) .
W1 O8 1.892(10) .
W1 O21 1.898(8) .
W1 O2 2.454(12) .
W2 O18 1.673(9) .
W2 O21 1.878(8) .
W2 O7 1.879(9) .
W2 O5 1.898(9) .
W2 O6 1.932(9) 2_765
W2 O3 2.255(10) 2_765
W2 O4 2.280(8) .
W3 O9 1.683(9) .
W3 O19 1.886(9) .
W3 O6 1.887(11) .
W3 O11 1.902(9) .
W3 O10 1.919(10) .
W3 O2 2.457(10) .
W4 O12 1.670(9) .
W4 O16 1.873(11) .
W4 O7 1.878(10) 2_765
W4 O11 1.879(9) .
W4 O22 1.897(11) .
W4 O1 2.483(10) .
W5 O14 1.664(9) .
W5 O8 1.885(11) .
W5 O16 1.888(9) 2_765
W5 O17 1.891(12) 2_765
W5 O19 1.905(8) .
W5 O1 2.353(8) 2_765
W5 O2 2.414(11) .
W6 O15 1.691(8) .
W6 O17 1.871(12) .
W6 O5 1.890(8) .
W6 O22 1.895(9) .
W6 O13 1.935(8) .
W6 O1 2.440(12) .
P1 O4 1.550(8) .
P1 O4 1.550(8) 2_765
P1 O3 1.557(7) 2_765
P1 O3 1.557(7) .
P1 O2 1.586(7) .
P1 O2 1.586(7) 2_765
P1 O1 1.605(8) .
P1 O1 1.605(8) 2_765
O1 O2 1.716(16) 2_765
O1 W5 2.353(8) 2_765
O2 O1 1.716(16) 2_765
O3 O4 1.378(16) 2_765
O3 W2 2.255(10) 2_765
O4 O3 1.378(16) 2_765
O6 W2 1.932(9) 2_765
O7 W4 1.878(10) 2_765
O16 W5 1.888(9) 2_765
O17 W5 1.891(12) 2_765
Cu1 N2 1.904(10) .
Cu1 N2 1.904(10) 2_766
Cu2 N4 1.971(10) 2_655
Cu2 N3 1.995(9) .
Cu2 N1 2.052(10) .
N1 C1 1.340(15) .
N1 C5 1.346(13) .
C1 C2 1.35(2) .
C2 C3 1.327(19) .
C3 C4 1.397(18) .
C4 C5 1.386(18) .
C5 C6 1.486(15) .
C6 C10 1.373(17) .
C6 C7 1.381(15) .
C7 C8 1.377(17) .
C8 N2 1.343(18) .
C9 N2 1.343(15) .
C9 C10 1.373(15) .
N3 C18 1.348(17) .
N3 C19 1.359(13) .
C11 N4 1.320(16) .
C11 C12 1.37(2) .
C12 C13 1.37(2) .
C13 C14 1.36(2) .
C14 C15 1.369(19) .
C15 N4 1.344(15) .
C15 C16 1.489(16) .
C16 C20 1.360(18) .
C16 C17 1.375(16) .
C17 C18 1.360(18) .
C19 C20 1.338(17) .
N4 Cu2 1.971(10) 2_655
