#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/54/4505498.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_4505498
loop_
_publ_author_name
'Liu, Ming-guan'
'Zhang, Peng-peng'
'Peng, Jun'
'Meng, Hua-xin'
'Wang, Xiang'
'Zhu, Min'
'Wang, Dan-dan'
'Meng, Cui-li'
'Alimaje, Kundawlet'
_publ_section_title
;
 Organic--Inorganic Hybrids Constructed from Mixed-Valence Multinuclear
 Copper Complexes and Templated by Keggin Polyoxometalates
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1273
_journal_paper_doi               10.1021/cg2012809
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C36 H33 Cu6 N30 O45 P W12'
_chemical_formula_weight         4224.15
_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
_cell_angle_alpha                99.216(2)
_cell_angle_beta                 95.468(2)
_cell_angle_gamma                110.979(3)
_cell_formula_units_Z            1
_cell_length_a                   11.3850(4)
_cell_length_b                   12.3920(4)
_cell_length_c                   15.0540(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7.5
_cell_volume                     1930.45(11)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12184
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.38
_exptl_absorpt_coefficient_mu    19.538
_exptl_absorpt_correction_T_max  0.209
_exptl_absorpt_correction_T_min  0.167
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1887.0
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.061
_refine_diff_density_min         -3.539
_refine_diff_density_rms         0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.832
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         6776
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.840
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1087
_refine_ls_wR_factor_ref         0.1131
_reflns_number_gt                5464
_reflns_number_total             6797
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2012809_si_005.cif
_cod_data_source_block           pp
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_original_formula_sum        'C36 H33 Cu6 N30 O45 P W12 '
_cod_database_code               4505498
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 0.13561(5) 0.30983(4) 0.01046(3) 0.02968(14) Uani 1 1 d .
W2 W -0.10235(5) -0.10668(4) 0.19586(3) 0.02533(14) Uani 1 1 d .
W3 W -0.17225(5) 0.13672(4) -0.11839(3) 0.02416(14) Uani 1 1 d .
W4 W 0.03541(5) 0.20253(4) 0.20674(3) 0.02934(14) Uani 1 1 d .
W5 W -0.27506(4) 0.03225(4) 0.07885(3) 0.02450(14) Uani 1 1 d .
W6 W 0.31014(5) 0.17219(4) 0.12674(3) 0.02782(14) Uani 1 1 d .
Cu2 Cu 0.58652(13) 0.43661(11) 0.29004(9) 0.0228(3) Uani 1 1 d .
Cu1 Cu 0.61016(13) 0.71941(11) 0.52421(8) 0.0208(3) Uani 1 1 d .
P1 P 0.0000 0.0000 0.0000 0.0126(7) Uani 1 2 d S
OW1 O 0.7275(9) 0.8805(7) 0.6241(6) 0.040(2) Uani 1 1 d .
O2 O 0.2755(12) 0.0261(7) 0.1622(5) 0.058(3) Uani 1 1 d .
O3 O 0.2038(12) 0.2012(13) 0.2085(8) 0.075(4) Uani 1 1 d .
O4 O 0.0796(11) 0.3046(12) 0.1245(8) 0.067(3) Uani 1 1 d U
O5 O -0.1386(10) 0.1583(7) 0.1594(7) 0.060(3) Uani 1 1 d .
O6 O -0.1675(9) -0.2475(9) 0.1030(7) 0.056(3) Uani 1 1 d .
O7 O 0.2773(12) 0.2798(12) 0.0629(7) 0.068(3) Uani 1 1 d U
O8 O -0.0635(14) 0.0178(11) 0.0808(9) 0.016(3) Uani 0.50 1 d P
O9 O 0.0873(14) 0.1243(12) 0.0621(9) 0.019(3) Uani 0.50 1 d P
O10 O 0.3472(11) 0.1036(7) 0.0166(5) 0.056(3) Uani 1 1 d .
O11 O -0.0335(9) 0.2697(9) -0.0469(6) 0.053(3) Uani 1 1 d .
O12 O -0.0596(9) 0.1183(9) -0.1963(8) 0.066(4) Uani 1 1 d .
O13 O -0.2409(10) -0.0696(7) 0.1521(7) 0.055(3) Uani 1 1 d .
O14 O -0.0108(10) 0.0559(7) 0.2446(7) 0.056(3) Uani 1 1 d .
O15 O -0.1497(9) -0.1571(10) 0.2882(6) 0.052(3) Uani 1 1 d .
O16 O -0.2462(12) 0.1263(8) -0.0116(6) 0.064(4) Uani 1 1 d .
O17 O 0.0486(11) 0.2961(8) 0.3036(6) 0.052(3) Uani 1 1 d .
O18 O -0.4041(11) 0.0472(9) 0.1168(8) 0.061(3) Uani 1 1 d .
O19 O -0.2517(12) 0.2019(9) -0.1756(6) 0.059(3) Uani 1 1 d .
O20 O 0.2005(10) 0.4553(7) 0.0136(7) 0.045(2) Uani 1 1 d .
O21 O 0.4594(8) 0.2542(7) 0.1862(5) 0.037(2) Uani 1 1 d .
O22 O -0.0075(13) -0.0919(11) 0.0556(9) 0.015(3) Uani 0.50 1 d P
O1 O 0.1302(13) -0.0035(12) 0.0272(9) 0.018(3) Uani 0.50 1 d P
Cu3 Cu 1.0924(3) 0.7049(3) 0.4854(2) 0.0977(9) Uani 1 1 d .
N1 N 0.2634(11) 0.6710(11) 0.6108(7) 0.043(3) Uani 1 1 d .
N2 N 0.3752(9) 0.4078(7) 0.4125(6) 0.022(2) Uani 1 1 d .
N3 N 0.4366(9) 0.4383(7) 0.3450(6) 0.0202(19) Uani 1 1 d .
N4 N 0.4455(9) 0.7091(8) 0.5665(6) 0.0208(19) Uani 1 1 d .
N5 N 0.8690(10) 0.7591(9) 0.4884(8) 0.040(3) Uani 1 1 d .
N6 N 0.5250(9) 0.5290(7) 0.2064(6) 0.021(2) Uani 1 1 d .
N7 N 0.7240(9) 0.6239(8) 0.3806(6) 0.026(2) Uani 1 1 d .
N8 N 0.3705(9) 0.6572(8) 0.6229(6) 0.024(2) Uani 1 1 d .
N9 N 0.7477(9) 0.7064(8) 0.4566(6) 0.022(2) Uani 1 1 d .
N10 N 0.2652(11) 0.7309(11) 0.5455(8) 0.045(3) Uani 1 1 d .
N11 N 0.3008(11) 0.5288(9) 0.3639(7) 0.035(2) Uani 1 1 d .
N12 N 0.2939(10) 0.4600(9) 0.4247(6) 0.031(2) Uani 1 1 d .
N13 N 0.7493(9) 0.4620(8) 0.2405(6) 0.024(2) Uani 1 1 d .
N14 N 0.5497(10) 0.8135(8) 0.4410(7) 0.032(2) Uani 1 1 d .
N15 N 0.9291(10) 0.7077(9) 0.4307(7) 0.039(3) Uani 1 1 d .
C1 C 0.6145(14) 0.8710(11) 0.3834(8) 0.036(3) Uani 1 1 d .
H1A H 0.6925 0.8664 0.3747 0.044 Uiso 1 1 calc R
C2 C 0.3874(15) 0.8843(11) 0.4049(8) 0.038(3) Uani 1 1 d .
H2A H 0.3073 0.8852 0.4115 0.046 Uiso 1 1 calc R
C3 C 0.3880(14) 0.6342(11) 0.1949(9) 0.039(3) Uani 1 1 d .
H3A H 0.3211 0.6522 0.2150 0.046 Uiso 1 1 calc R
C4 C 0.8707(13) 0.4143(10) 0.1338(8) 0.032(3) Uani 1 1 d .
H4A H 0.8735 0.3628 0.0826 0.038 Uiso 1 1 calc R
C5 C 0.3878(11) 0.5120(9) 0.3138(7) 0.022(2) Uani 1 1 d .
C6 C 0.8561(11) 0.5566(9) 0.2865(8) 0.026(2) Uani 1 1 d .
C7 C 0.5677(15) 0.9378(12) 0.3361(9) 0.043(3) Uani 1 1 d .
H7A H 0.6133 0.9764 0.2947 0.052 Uiso 1 1 calc R
C8 C 0.4321(11) 0.5625(9) 0.2355(7) 0.021(2) Uani 1 1 d .
C9 C 0.4397(15) 0.6787(12) 0.1272(9) 0.045(4) Uani 1 1 d .
H9A H 0.4141 0.7321 0.1020 0.054 Uiso 1 1 calc R
C10 C 0.8387(11) 0.6289(10) 0.3650(7) 0.025(3) Uani 1 1 d .
C11 C 0.5729(12) 0.5678(11) 0.1356(8) 0.033(3) Uani 1 1 d .
H11A H 0.6347 0.5437 0.1130 0.039 Uiso 1 1 calc R
C12 C 0.9786(14) 0.5110(11) 0.1747(9) 0.042(3) Uani 1 1 d .
H12A H 1.0535 0.5291 0.1502 0.050 Uiso 1 1 calc R
C13 C 0.3766(11) 0.7539(10) 0.5206(7) 0.027(3) Uani 1 1 d .
C14 C 0.7592(13) 0.3932(10) 0.1678(8) 0.031(3) Uani 1 1 d .
H14A H 0.6875 0.3275 0.1384 0.037 Uiso 1 1 calc R
C15 C 0.4375(13) 0.8195(11) 0.4509(8) 0.031(3) Uani 1 1 d .
C16 C 0.4584(17) 0.9469(12) 0.3496(9) 0.048(4) Uani 1 1 d .
H16A H 0.4301 0.9964 0.3210 0.057 Uiso 1 1 calc R
C17 C 0.9704(13) 0.5816(11) 0.2558(9) 0.036(3) Uani 1 1 d .
H17A H 1.0425 0.6447 0.2882 0.044 Uiso 1 1 calc R
C18 C 0.5329(13) 0.6435(12) 0.0948(8) 0.037(3) Uani 1 1 d .
H18A H 0.5684 0.6709 0.0457 0.044 Uiso 1 1 calc R
OW2 O 0.9064(17) 1.0319(14) 0.5552(11) 0.114(5) Uani 1 1 d U
O23 O 1.028(2) 0.4905(19) 0.4495(15) 0.060(6) 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'
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 O6 101.3(5) . 2
O20 W1 O11 102.1(5) . .
O6 W1 O11 87.3(4) 2 .
O20 W1 O4 102.6(5) . .
O6 W1 O4 156.0(5) 2 .
O11 W1 O4 89.8(5) . .
O20 W1 O7 102.1(5) . .
O6 W1 O7 86.0(5) 2 .
O11 W1 O7 155.7(5) . .
O4 W1 O7 86.9(4) . .
O20 W1 O9 158.8(4) . .
O6 W1 O9 93.2(5) 2 .
O11 W1 O9 93.9(5) . .
O4 W1 O9 63.2(5) . .
O7 W1 O9 63.3(5) . .
O15 W2 O13 101.2(5) . .
O15 W2 O14 102.0(5) . .
O13 W2 O14 88.4(4) . .
O15 W2 O12 103.1(5) . 2
O13 W2 O12 155.7(5) . 2
O14 W2 O12 86.1(5) . 2
O15 W2 O6 102.3(5) . .
O13 W2 O6 88.6(4) . .
O14 W2 O6 155.6(5) . .
O12 W2 O6 86.8(4) 2 .
O15 W2 O22 159.5(5) . .
O13 W2 O22 94.7(5) . .
O14 W2 O22 91.3(5) . .
O12 W2 O22 61.8(5) 2 .
O6 W2 O22 64.8(4) . .
O15 W2 O8 160.1(5) . .
O13 W2 O8 64.4(5) . .
O14 W2 O8 65.6(4) . .
O12 W2 O8 91.8(5) 2 .
O6 W2 O8 91.4(5) . .
O22 W2 O8 40.4(5) . .
O19 W3 O12 102.1(6) . .
O19 W3 O16 102.5(6) . .
O12 W3 O16 155.4(6) . .
O19 W3 O11 101.5(5) . .
O12 W3 O11 87.5(4) . .
O16 W3 O11 86.8(4) . .
O19 W3 O2 101.9(5) . 2
O12 W3 O2 88.3(4) . 2
O16 W3 O2 87.5(4) . 2
O11 W3 O2 156.5(5) . 2
O19 W3 O22 159.0(5) . 2
O12 W3 O22 62.5(5) . 2
O16 W3 O22 93.5(5) . 2
O11 W3 O22 65.5(4) . 2
O2 W3 O22 92.2(5) 2 2
O19 W3 O1 160.4(5) . 2
O12 W3 O1 92.5(6) . 2
O16 W3 O1 63.9(5) . 2
O11 W3 O1 92.1(5) . 2
O2 W3 O1 65.0(4) 2 2
O22 W3 O1 40.6(4) 2 2
O17 W4 O4 102.1(5) . .
O17 W4 O5 100.5(5) . .
O4 W4 O5 89.6(5) . .
O17 W4 O14 101.9(5) . .
O4 W4 O14 155.9(5) . .
O5 W4 O14 87.5(4) . .
O17 W4 O3 103.6(6) . .
O4 W4 O3 85.8(4) . .
O5 W4 O3 155.8(6) . .
O14 W4 O3 87.1(5) . .
O17 W4 O9 159.2(5) . .
O4 W4 O9 63.0(5) . .
O5 W4 O9 94.1(5) . .
O14 W4 O9 93.4(5) . .
O3 W4 O9 62.8(5) . .
O18 W5 O10 103.0(6) . 2
O18 W5 O5 102.2(6) . .
O10 W5 O5 154.7(5) 2 .
O18 W5 O16 103.1(6) . .
O10 W5 O16 88.4(3) 2 .
O5 W5 O16 88.0(4) . .
O18 W5 O13 101.6(5) . .
O10 W5 O13 86.3(4) 2 .
O5 W5 O13 86.6(4) . .
O16 W5 O13 155.3(6) . .
O18 W5 O1 160.3(5) . 2
O10 W5 O1 64.5(5) 2 2
O5 W5 O1 91.7(5) . 2
O16 W5 O1 63.1(5) . 2
O13 W5 O1 93.0(5) . 2
O18 W5 O8 160.0(5) . .
O10 W5 O8 90.2(5) 2 .
O5 W5 O8 65.0(5) . .
O16 W5 O8 92.1(5) . .
O13 W5 O8 63.9(5) . .
O1 W5 O8 39.7(4) 2 .
O21 W6 O7 101.9(5) . .
O21 W6 O2 102.0(5) . .
O7 W6 O2 156.1(5) . .
O21 W6 O3 102.9(5) . .
O7 W6 O3 88.4(4) . .
O2 W6 O3 87.0(5) . .
O21 W6 O10 101.5(5) . .
O7 W6 O10 86.9(5) . .
O2 W6 O10 87.7(4) . .
O3 W6 O10 155.6(6) . .
O21 W6 O9 158.5(5) . .
O7 W6 O9 63.3(5) . .
O2 W6 O9 93.9(5) . .
O3 W6 O9 63.1(5) . .
O10 W6 O9 93.5(5) . .
O21 W6 O1 158.3(5) . .
O7 W6 O1 93.2(5) . .
O2 W6 O1 63.6(4) . .
O3 W6 O1 92.9(6) . .
O10 W6 O1 63.5(4) . .
O9 W6 O1 43.2(5) . .
N3 Cu2 N13 171.2(4) . .
N3 Cu2 N8 92.4(4) . 2_666
N13 Cu2 N8 91.7(4) . 2_666
N3 Cu2 N6 81.7(4) . .
N13 Cu2 N6 94.2(4) . .
N8 Cu2 N6 174.0(4) 2_666 .
N3 Cu2 N7 93.7(3) . .
N13 Cu2 N7 78.2(4) . .
N8 Cu2 N7 94.7(3) 2_666 .
N6 Cu2 N7 86.7(3) . .
N3 Cu2 O21 90.9(3) . .
N13 Cu2 O21 97.0(3) . .
N8 Cu2 O21 88.8(3) 2_666 .
N6 Cu2 O21 90.3(3) . .
N7 Cu2 O21 174.1(3) . .
N9 Cu1 N4 167.1(4) . .
N9 Cu1 N2 88.9(4) . 2_666
N4 Cu1 N2 93.0(4) . 2_666
N9 Cu1 N14 95.7(4) . .
N4 Cu1 N14 79.3(4) . .
N2 Cu1 N14 164.4(4) 2_666 .
N9 Cu1 OW1 97.1(4) . .
N4 Cu1 OW1 95.1(4) . .
N2 Cu1 OW1 102.2(3) 2_666 .
N14 Cu1 OW1 92.1(4) . .
O8 P1 O8 180.0(10) . 2
O8 P1 O22 69.2(7) . .
O8 P1 O22 110.8(7) 2 .
O8 P1 O22 110.8(7) . 2
O8 P1 O22 69.2(7) 2 2
O22 P1 O22 180.0(13) . 2
O8 P1 O1 112.3(7) . .
O8 P1 O1 67.7(7) 2 .
O22 P1 O1 68.5(7) . .
O22 P1 O1 111.5(7) 2 .
O8 P1 O1 67.7(7) . 2
O8 P1 O1 112.3(7) 2 2
O22 P1 O1 111.5(7) . 2
O22 P1 O1 68.5(7) 2 2
O1 P1 O1 180.0(12) . 2
O8 P1 O9 107.0(7) . 2
O8 P1 O9 73.0(7) 2 2
O22 P1 O9 72.6(6) . 2
O22 P1 O9 107.4(6) 2 2
O1 P1 O9 107.5(8) . 2
O1 P1 O9 72.5(8) 2 2
O8 P1 O9 73.0(7) . .
O8 P1 O9 107.0(7) 2 .
O22 P1 O9 107.4(6) . .
O22 P1 O9 72.6(6) 2 .
O1 P1 O9 72.5(8) . .
O1 P1 O9 107.5(8) 2 .
O9 P1 O9 180.0(13) 2 .
W6 O2 W3 139.7(6) . 2
W6 O3 W4 139.8(7) . .
W4 O4 W1 140.5(7) . .
W4 O5 W5 140.4(6) . .
W1 O6 W2 140.3(6) 2 .
W6 O7 W1 139.4(7) . .
P1 O8 O1 56.7(7) . 2
P1 O8 O22 55.5(6) . .
O1 O8 O22 95.0(9) 2 .
P1 O8 W2 125.2(8) . .
O1 O8 W2 135.3(8) 2 .
O22 O8 W2 69.7(6) . .
P1 O8 W5 126.8(8) . .
O1 O8 W5 70.2(7) 2 .
O22 O8 W5 136.6(8) . .
W2 O8 W5 92.1(4) . .
P1 O9 W1 123.2(7) . .
P1 O9 W6 122.6(8) . .
W1 O9 W6 93.4(5) . .
P1 O9 W4 122.6(7) . .
W1 O9 W4 93.2(5) . .
W6 O9 W4 93.7(4) . .
W5 O10 W6 140.2(6) 2 .
W1 O11 W3 139.6(6) . .
W3 O12 W2 141.8(7) . 2
W2 O13 W5 138.8(7) . .
W2 O14 W4 139.5(5) . .
W3 O16 W5 139.6(7) . .
W6 O21 Cu2 143.9(5) . .
P1 O22 O1 56.2(6) . .
P1 O22 O8 55.3(6) . .
O1 O22 O8 94.8(9) . .
P1 O22 W3 125.9(7) . 2
O1 O22 W3 69.8(7) . 2
O8 O22 W3 136.3(8) . 2
P1 O22 W2 125.2(8) . .
O1 O22 W2 136.0(8) . .
O8 O22 W2 69.9(6) . .
W3 O22 W2 92.8(4) 2 .
P1 O1 O8 55.6(7) . 2
P1 O1 O22 55.3(7) . .
O8 O1 O22 93.9(9) 2 .
P1 O1 W3 125.0(7) . 2
O8 O1 W3 135.5(9) 2 2
O22 O1 W3 69.7(6) . 2
P1 O1 W5 125.8(7) . 2
O8 O1 W5 70.2(7) 2 2
O22 O1 W5 135.3(9) . 2
W3 O1 W5 92.5(5) 2 2
P1 O1 W6 121.7(8) . .
O8 O1 W6 128.2(8) 2 .
O22 O1 W6 128.6(8) . .
W3 O1 W6 91.3(4) 2 .
W5 O1 W6 90.9(4) 2 .
N10 Cu3 N15 170.5(5) 1_655 .
N8 N1 N10 108.4(10) . .
N12 N2 N3 111.4(8) . .
N12 N2 Cu1 125.2(7) . 2_666
N3 N2 Cu1 122.8(7) . 2_666
N2 N3 C5 104.3(9) . .
N2 N3 Cu2 142.8(7) . .
C5 N3 Cu2 111.8(7) . .
C13 N4 N8 104.0(9) . .
C13 N4 Cu1 115.8(7) . .
N8 N4 Cu1 139.6(7) . .
N9 N5 N15 106.0(9) . .
C11 N6 C8 117.8(10) . .
C11 N6 Cu2 128.4(8) . .
C8 N6 Cu2 113.4(7) . .
C10 N7 N9 104.5(9) . .
C10 N7 Cu2 102.5(7) . .
N9 N7 Cu2 147.9(7) . .
N1 N8 N4 110.0(9) . .
N1 N8 Cu2 124.6(7) . 2_666
N4 N8 Cu2 125.3(7) . 2_666
N5 N9 N7 112.2(9) . .
N5 N9 Cu1 124.5(8) . .
N7 N9 Cu1 122.0(7) . .
C13 N10 N1 106.1(10) . .
C13 N10 Cu3 135.6(9) . 1_455
N1 N10 Cu3 112.7(9) . 1_455
N12 N11 C5 104.7(10) . .
N2 N12 N11 108.6(9) . .
C14 N13 C6 119.0(10) . .
C14 N13 Cu2 123.8(8) . .
C6 N13 Cu2 117.2(7) . .
C1 N14 C15 118.4(11) . .
C1 N14 Cu1 126.1(10) . .
C15 N14 Cu1 115.4(8) . .
C10 N15 N5 106.7(10) . .
C10 N15 Cu3 129.7(9) . .
N5 N15 Cu3 116.1(8) . .
N14 C1 C7 120.7(13) . .
C16 C2 C15 117.8(14) . .
C9 C3 C8 120.5(13) . .
C14 C4 C12 120.6(11) . .
N3 C5 N11 110.9(9) . .
N3 C5 C8 119.8(10) . .
N11 C5 C8 129.2(11) . .
C17 C6 N13 120.8(11) . .
C17 C6 C10 122.9(10) . .
N13 C6 C10 116.3(10) . .
C16 C7 C1 120.1(13) . .
N6 C8 C3 122.3(10) . .
N6 C8 C5 111.6(9) . .
C3 C8 C5 126.1(11) . .
C3 C9 C18 118.2(12) . .
N15 C10 N7 110.5(10) . .
N15 C10 C6 127.1(11) . .
N7 C10 C6 122.3(10) . .
N6 C11 C18 121.2(12) . .
C4 C12 C17 117.0(12) . .
N10 C13 N4 111.5(10) . .
N10 C13 C15 132.2(11) . .
N4 C13 C15 116.3(11) . .
N13 C14 C4 122.7(11) . .
N14 C15 C2 122.6(11) . .
N14 C15 C13 112.8(10) . .
C2 C15 C13 124.5(12) . .
C7 C16 C2 120.2(14) . .
C6 C17 C12 119.8(12) . .
C11 C18 C9 119.8(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O20 1.677(8) .
W1 O6 1.882(10) 2
W1 O11 1.887(9) .
W1 O4 1.890(11) .
W1 O7 1.909(11) .
W1 O9 2.438(13) .
W2 O15 1.671(8) .
W2 O13 1.884(10) .
W2 O14 1.887(8) .
W2 O12 1.900(11) 2
W2 O6 1.909(9) .
W2 O22 2.465(13) .
W2 O8 2.467(13) .
W3 O19 1.676(9) .
W3 O12 1.866(10) .
W3 O16 1.886(10) .
W3 O11 1.901(8) .
W3 O2 1.901(8) 2
W3 O22 2.450(14) 2
W3 O1 2.451(13) 2
W4 O17 1.669(9) .
W4 O4 1.884(10) .
W4 O5 1.887(10) .
W4 O14 1.899(8) .
W4 O3 1.920(11) .
W4 O9 2.451(14) .
W5 O18 1.686(10) .
W5 O10 1.893(8) 2
W5 O5 1.903(8) .
W5 O16 1.907(9) .
W5 O13 1.918(9) .
W5 O1 2.477(15) 2
W5 O8 2.476(15) .
W6 O21 1.704(8) .
W6 O7 1.882(10) .
W6 O2 1.886(9) .
W6 O3 1.888(10) .
W6 O10 1.894(10) .
W6 O9 2.450(15) .
W6 O1 2.522(13) .
Cu2 N3 1.972(9) .
Cu2 N13 2.003(9) .
Cu2 N8 2.020(9) 2_666
Cu2 N6 2.062(9) .
Cu2 N7 2.382(9) .
Cu2 O21 2.396(8) .
Cu1 N9 1.987(9) .
Cu1 N4 2.005(9) .
Cu1 N2 2.015(9) 2_666
Cu1 N14 2.068(9) .
Cu1 OW1 2.186(8) .
P1 O8 1.498(13) .
P1 O8 1.498(13) 2
P1 O22 1.501(13) .
P1 O22 1.501(13) 2
P1 O1 1.517(14) .
P1 O1 1.517(14) 2
P1 O9 1.581(13) 2
P1 O9 1.581(13) .
O2 W3 1.901(8) 2
O6 W1 1.882(10) 2
O8 O1 1.680(18) 2
O8 O22 1.70(2) .
O10 W5 1.893(8) 2
O12 W2 1.900(11) 2
O22 O1 1.699(18) .
O22 W3 2.450(14) 2
O1 O8 1.680(18) 2
O1 W3 2.451(13) 2
O1 W5 2.477(15) 2
Cu3 N10 1.977(11) 1_655
Cu3 N15 1.976(11) .
N1 N8 1.290(14) .
N1 N10 1.321(15) .
N2 N12 1.317(14) .
N2 N3 1.316(12) .
N2 Cu1 2.015(9) 2_666
N3 C5 1.347(14) .
N4 C13 1.315(15) .
N4 N8 1.335(12) .
N5 N9 1.300(14) .
N5 N15 1.369(15) .
N6 C11 1.323(15) .
N6 C8 1.352(15) .
N7 C10 1.330(15) .
N7 N9 1.340(12) .
N8 Cu2 2.020(9) 2_666
N10 C13 1.303(16) .
N10 Cu3 1.977(11) 1_455
N11 N12 1.337(14) .
N11 C5 1.354(16) .
N13 C14 1.315(14) .
N13 C6 1.376(14) .
N14 C1 1.322(15) .
N14 C15 1.327(16) .
N15 C10 1.330(15) .
C1 C7 1.382(19) .
C2 C16 1.356(19) .
C2 C15 1.371(17) .
C3 C9 1.324(19) .
C3 C8 1.360(17) .
C4 C14 1.368(18) .
C4 C12 1.374(19) .
C5 C8 1.469(14) .
C6 C17 1.369(17) .
C6 C10 1.439(16) .
C7 C16 1.32(2) .
C9 C18 1.38(2) .
C11 C18 1.379(17) .
C12 C17 1.416(18) .
C13 C15 1.500(16) .
O23 O23 1.71(4) 2_766
