#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:08:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180467 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/36/7213677.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_7213677
loop_
_publ_author_name
'Li, Shaobin'
'Ma, Huiyuan'
'Pang, Haijun'
'Zhang, Zhuanfang'
'Yu, Yan'
'Liu, Heng'
'Yu, Tingting'
_publ_section_title
;
 Tuning the dimension of POM-based inorganic--organic hybrids from 3D
 self-penetrating framework to 1D poly-pendant chain via changing POM
 clusters and introducing secondary spacers
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              2045
_journal_paper_doi               10.1039/c3ce42064g
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C30 H43 Cu2 N16 O42 P W12,8(O)'
_chemical_formula_sum            'C30 H43 Cu2 N16 O50 P W12'
_chemical_formula_weight         3791.79
_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                92.714(5)
_cell_angle_beta                 109.859(5)
_cell_angle_gamma                110.756(5)
_cell_formula_units_Z            1
_cell_length_a                   12.191(5)
_cell_length_b                   13.180(5)
_cell_length_c                   13.506(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1873.6(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SMART'
_computing_publication_material  'Bruker SMART'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9411
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    19.015
_exptl_absorpt_correction_T_max  0.102
_exptl_absorpt_correction_T_min  0.060
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_density_diffrn    3.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1675.0
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.089
_refine_diff_density_min         -2.733
_refine_diff_density_rms         0.423
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     520
_refine_ls_number_reflns         6546
_refine_ls_number_restraints     332
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0987
_refine_ls_R_factor_gt           0.0715
_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)+(0.0916P)²+122.2912P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1865
_refine_ls_wR_factor_ref         0.2044
_reflns_number_gt                4941
_reflns_number_total             6592
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42064g.txt
_cod_data_source_block           Compound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7213677
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
W5 W 0.84157(9) 0.07137(8) 0.26063(7) 0.0214(3) Uani 1 1 d U
W2 W 0.75972(10) -0.00073(10) 0.59101(8) 0.0322(3) Uani 1 1 d U
P1 P 1.0000 0.0000 0.5000 0.0068(12) Uani 1 2 d SU
W3 W 0.92789(11) 0.23732(9) 0.51052(9) 0.0319(3) Uani 1 1 d U
W4 W 1.16438(11) 0.23614(9) 0.41413(9) 0.0344(3) Uani 1 1 d U
W1 W 0.67835(10) -0.16819(10) 0.34364(10) 0.0388(3) Uani 1 1 d U
W6 W 0.91664(12) -0.16387(10) 0.25080(9) 0.0377(3) Uani 1 1 d U
Cu1 Cu 0.6506(2) 0.0515(2) -0.0441(2) 0.0204(6) Uani 1 1 d U
N1 N 0.7676(18) 0.1826(17) -0.0769(16) 0.026(4) Uani 1 1 d U
O9 O 1.242(2) 0.3452(18) 0.3751(19) 0.060(6) Uani 1 1 d U
O18 O 0.5275(17) -0.2467(16) 0.2724(16) 0.041(4) Uani 1 1 d U
O21 O 0.7918(18) 0.1305(19) 0.5351(17) 0.051(4) Uani 1 1 d U
O22 O 0.9106(19) 0.0713(17) 0.7088(17) 0.047(3) Uani 1 1 d U
O2 O 0.881(2) -0.2381(16) 0.1340(14) 0.041(4) Uani 1 1 d U
C32 C 1.190(2) 0.697(2) 0.203(2) 0.041(7) Uani 1 1 d U
H32 H 1.2200 0.6810 0.2703 0.050 Uiso 1 1 calc R
N6 N 0.7417(16) -0.0471(17) -0.0685(15) 0.023(3) Uani 1 1 d U
O12 O 0.956(4) 0.075(3) 0.556(3) 0.036(3) Uani 0.50 1 d PU
O10 O 1.0096(15) 0.1654(16) 0.2946(14) 0.033(3) Uani 1 1 d U
C10 C 0.691(2) -0.148(2) -0.0561(17) 0.021(4) Uani 1 1 d U
C38 C 0.836(2) -0.026(2) -0.1048(19) 0.029(4) Uani 1 1 d U
H38 H 0.8738 0.0452 -0.1153 0.034 Uiso 1 1 calc R
C41 C 1.027(3) 0.494(3) 0.239(2) 0.047(7) Uani 1 1 d U
H41 H 1.1138 0.5107 0.2696 0.057 Uiso 1 1 calc R
O13 O 0.667(2) -0.077(2) 0.4502(16) 0.054(4) Uani 1 1 d U
O5 O 0.6469(17) -0.0014(15) 0.6358(15) 0.036(3) Uani 1 1 d U
O3 O 0.9686(19) -0.2500(17) 0.3481(16) 0.050(4) Uani 1 1 d U
N3 N 0.4342(19) -0.2313(16) 0.0338(16) 0.026(4) Uani 1 1 d U
O8 O 0.7678(15) 0.1060(16) 0.1430(13) 0.031(3) Uani 1 1 d U
O4 O 0.784(2) -0.1279(18) 0.6287(15) 0.050(4) Uani 1 1 d U
O1 O 0.8821(18) -0.0409(16) 0.2099(16) 0.041(3) Uani 1 1 d U
O11 O 0.8356(15) 0.1670(16) 0.3624(14) 0.035(3) Uani 1 1 d U
O19 O 1.0739(17) 0.2882(15) 0.4795(15) 0.038(3) Uani 1 1 d U
O20 O 0.895(2) 0.3489(17) 0.5151(19) 0.055(5) Uani 1 1 d U
C1 C 0.885(2) 0.2457(19) -0.0060(19) 0.025(5) Uani 1 1 d U
H1 H 0.9106 0.2279 0.0616 0.030 Uiso 1 1 calc R
C8 C 1.068(2) 0.637(2) 0.1282(19) 0.025(5) Uani 1 1 d U
C2 C 0.969(3) 0.334(2) -0.027(2) 0.037(6) Uani 1 1 d U
H2 H 1.0487 0.3751 0.0255 0.044 Uiso 1 1 calc R
O17 O 1.2779(19) 0.2524(17) 0.5546(16) 0.047(4) Uani 1 1 d U
O16 O 0.763(2) -0.2155(16) 0.2706(19) 0.053(5) Uani 1 1 d U
C3 C 0.734(2) 0.214(2) -0.168(2) 0.031(6) Uani 1 1 d U
H3 H 0.6512 0.1740 -0.2158 0.037 Uiso 1 1 calc R
C6 C 0.777(3) 0.445(2) 0.158(3) 0.046(6) Uani 1 1 d U
H6 H 0.6917 0.4321 0.1335 0.055 Uiso 1 1 calc R
C4 C 0.981(3) 0.549(2) 0.163(2) 0.035(5) Uani 1 1 d U
C7 C 0.944(3) 0.414(3) 0.271(3) 0.057(8) Uani 1 1 d U
H7 H 0.9751 0.3756 0.3209 0.068 Uiso 1 1 calc R
C5 C 0.851(3) 0.518(2) 0.115(3) 0.043(7) Uani 1 1 d U
H5 H 0.8160 0.5451 0.0552 0.052 Uiso 1 1 calc R
N5 N 0.5478(17) -0.0883(15) -0.0103(14) 0.018(3) Uani 1 1 d U
N2 N 0.4543(16) -0.1293(14) 0.0239(13) 0.014(3) Uani 1 1 d U
O23 O 0.7051(17) -0.0407(16) 0.2790(17) 0.044(3) Uani 1 1 d U
N4 N 0.5154(19) -0.2628(16) 0.0056(16) 0.026(4) Uani 1 1 d U
C9 C 0.586(2) -0.1707(19) -0.0182(18) 0.021(4) Uani 1 1 d U
C11 C 0.878(3) -0.106(3) -0.128(2) 0.041(6) Uani 1 1 d U
H11 H 0.9454 -0.0870 -0.1508 0.049 Uiso 1 1 calc R
N8 N 0.820(3) 0.391(2) 0.232(2) 0.051(6) Uani 1 1 d U
N9 N 0.822(2) -0.208(2) -0.1160(18) 0.042(5) Uani 1 1 d U
C17 C 0.729(3) -0.233(2) -0.080(2) 0.035(5) Uani 1 1 d U
H17 H 0.6895 -0.3041 -0.0701 0.042 Uiso 1 1 calc R
O24 O 1.127(3) 0.076(3) 0.495(3) 0.024(3) Uani 0.50 1 d PU
O25 O 0.986(3) 0.091(3) 0.444(3) 0.024(2) Uani 0.50 1 d PU
O2W O 0.619(3) 0.2641(19) 0.265(2) 0.082(9) Uani 1 1 d .
O26 O 0.905(3) -0.042(3) 0.387(3) 0.029(2) Uani 0.50 1 d PU
O27 O 0.5027(15) 0.9723(15) 0.7640(14) 0.033(4) Uani 1 1 d .
O1W O 0.410(4) 0.781(4) 0.474(4) 0.17(2) Uani 1 1 d .
O3W O 0.453(5) 0.576(4) 0.432(5) 0.24(3) Uani 1 1 d .
O4W O 0.498(6) 0.536(3) 0.104(4) 0.21(3) 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
O8 W5 O10 101.1(8) . .
O8 W5 O11 102.4(8) . .
O10 W5 O11 88.2(7) . .
O8 W5 O23 102.7(8) . .
O10 W5 O23 156.2(8) . .
O11 W5 O23 87.3(9) . .
O8 W5 O1 101.1(9) . .
O10 W5 O1 86.8(8) . .
O11 W5 O1 156.5(8) . .
O23 W5 O1 88.1(8) . .
O8 W5 O26 159.7(11) . .
O10 W5 O26 91.5(10) . .
O11 W5 O26 93.8(10) . .
O23 W5 O26 65.5(10) . .
O1 W5 O26 63.4(10) . .
O8 W5 O25 160.1(10) . .
O10 W5 O25 64.6(9) . .
O11 W5 O25 65.0(9) . .
O23 W5 O25 92.4(10) . .
O1 W5 O25 92.2(9) . .
O26 W5 O25 40.1(11) . .
O5 W2 O22 104.3(9) . .
O5 W2 O13 103.2(9) . .
O22 W2 O13 152.5(9) . .
O5 W2 O4 102.5(9) . .
O22 W2 O4 83.7(9) . .
O13 W2 O4 88.9(9) . .
O5 W2 O21 101.8(9) . .
O22 W2 O21 88.9(9) . .
O13 W2 O21 87.1(10) . .
O4 W2 O21 155.6(9) . .
O5 W2 O12 158.0(11) . .
O22 W2 O12 62.9(11) . .
O13 W2 O12 91.4(11) . .
O4 W2 O12 94.0(11) . .
O21 W2 O12 62.1(10) . .
O5 W2 O24 158.0(10) . 2_756
O22 W2 O24 89.5(10) . 2_756
O13 W2 O24 63.8(10) . 2_756
O4 W2 O24 61.5(10) . 2_756
O21 W2 O24 95.3(10) . 2_756
O12 W2 O24 43.9(11) . 2_756
O25 P1 O25 180.000(7) . 2_756
O25 P1 O26 68.0(18) . .
O25 P1 O26 112.0(18) 2_756 .
O25 P1 O26 112.0(18) . 2_756
O25 P1 O26 68.0(18) 2_756 2_756
O26 P1 O26 180.000(8) . 2_756
O25 P1 O24 69.3(17) . .
O25 P1 O24 110.7(16) 2_756 .
O26 P1 O24 107.0(17) . .
O26 P1 O24 73.0(17) 2_756 .
O25 P1 O24 110.7(16) . 2_756
O25 P1 O24 69.3(17) 2_756 2_756
O26 P1 O24 73.0(17) . 2_756
O26 P1 O24 107.0(17) 2_756 2_756
O24 P1 O24 180.000(4) . 2_756
O25 P1 O12 113.4(17) . 2_756
O25 P1 O12 66.6(17) 2_756 2_756
O26 P1 O12 73.6(19) . 2_756
O26 P1 O12 106.4(19) 2_756 2_756
O24 P1 O12 73.0(19) . 2_756
O24 P1 O12 107.0(19) 2_756 2_756
O25 P1 O12 66.6(17) . .
O25 P1 O12 113.4(17) 2_756 .
O26 P1 O12 106.4(19) . .
O26 P1 O12 73.6(19) 2_756 .
O24 P1 O12 107.0(19) . .
O24 P1 O12 73.0(19) 2_756 .
O12 P1 O12 180(2) 2_756 .
O20 W3 O3 102.7(11) . 2_756
O20 W3 O19 102.1(10) . .
O3 W3 O19 88.0(9) 2_756 .
O20 W3 O21 102.2(10) . .
O3 W3 O21 88.5(9) 2_756 .
O19 W3 O21 155.7(9) . .
O20 W3 O11 102.5(10) . .
O3 W3 O11 154.8(9) 2_756 .
O19 W3 O11 87.4(8) . .
O21 W3 O11 85.6(9) . .
O20 W3 O12 160.3(12) . .
O3 W3 O12 64.5(11) 2_756 .
O19 W3 O12 92.7(10) . .
O21 W3 O12 64.2(11) . .
O11 W3 O12 91.0(11) . .
O20 W3 O25 159.4(11) . .
O3 W3 O25 92.6(10) 2_756 .
O19 W3 O25 64.4(9) . .
O21 W3 O25 91.8(10) . .
O11 W3 O25 63.2(9) . .
O12 W3 O25 40.2(10) . .
O9 W4 O17 102.2(11) . .
O9 W4 O4 103.1(11) . 2_756
O17 W4 O4 88.1(8) . 2_756
O9 W4 O19 103.1(11) . .
O17 W4 O19 85.7(8) . .
O4 W4 O19 153.8(9) 2_756 .
O9 W4 O10 103.6(10) . .
O17 W4 O10 154.2(9) . .
O4 W4 O10 87.3(8) 2_756 .
O19 W4 O10 87.4(7) . .
O9 W4 O24 159.0(12) . .
O17 W4 O24 63.4(10) . .
O4 W4 O24 63.2(10) 2_756 .
O19 W4 O24 91.4(9) . .
O10 W4 O24 92.0(10) . .
O9 W4 O25 160.0(11) . .
O17 W4 O25 92.0(10) . .
O4 W4 O25 91.3(10) 2_756 .
O19 W4 O25 63.6(9) . .
O10 W4 O25 62.7(9) . .
O24 W4 O25 41.0(10) . .
O18 W1 O17 101.9(9) . 2_756
O18 W1 O16 102.9(10) . .
O17 W1 O16 88.4(10) 2_756 .
O18 W1 O13 102.2(10) . .
O17 W1 O13 88.6(9) 2_756 .
O16 W1 O13 154.7(10) . .
O18 W1 O23 102.6(9) . .
O17 W1 O23 155.4(9) 2_756 .
O16 W1 O23 88.8(9) . .
O13 W1 O23 83.6(9) . .
O18 W1 O24 157.4(10) . 2_756
O17 W1 O24 62.1(10) 2_756 2_756
O16 W1 O24 92.9(10) . 2_756
O13 W1 O24 63.7(9) . 2_756
O23 W1 O24 93.6(10) . 2_756
O18 W1 O26 159.8(10) . .
O17 W1 O26 93.5(10) 2_756 .
O16 W1 O26 64.0(10) . .
O13 W1 O26 91.1(11) . .
O23 W1 O26 63.5(9) . .
O24 W1 O26 42.8(11) 2_756 .
O2 W6 O16 103.0(10) . .
O2 W6 O3 102.8(9) . .
O16 W6 O3 87.1(10) . .
O2 W6 O1 101.9(9) . .
O16 W6 O1 87.5(9) . .
O3 W6 O1 155.3(9) . .
O2 W6 O22 103.6(10) . 2_756
O16 W6 O22 153.4(9) . 2_756
O3 W6 O22 87.8(9) . 2_756
O1 W6 O22 86.4(8) . 2_756
O2 W6 O26 159.8(10) . .
O16 W6 O26 65.4(10) . .
O3 W6 O26 93.3(10) . .
O1 W6 O26 62.7(10) . .
O22 W6 O26 88.9(10) 2_756 .
O2 W6 O12 156.7(10) . 2_756
O16 W6 O12 93.4(11) . 2_756
O3 W6 O12 61.1(10) . 2_756
O1 W6 O12 95.2(10) . 2_756
O22 W6 O12 61.6(10) 2_756 2_756
O26 W6 O12 43.4(11) . 2_756
N2 Cu1 N1 93.4(8) 2_655 .
N2 Cu1 N5 93.2(7) 2_655 .
N1 Cu1 N5 173.2(8) . .
N2 Cu1 N6 173.1(7) 2_655 .
N1 Cu1 N6 93.0(8) . .
N5 Cu1 N6 80.4(7) . .
N2 Cu1 O8 87.1(6) 2_655 .
N1 Cu1 O8 93.4(7) . .
N5 Cu1 O8 85.7(7) . .
N6 Cu1 O8 95.0(7) . .
C3 N1 C1 115(2) . .
C3 N1 Cu1 121.8(17) . .
C1 N1 Cu1 122.7(15) . .
W2 O21 W3 138.2(11) . .
W2 O22 W6 143.1(12) . 2_756
C8 C32 C3 115(2) . 2_765
C10 N6 C38 116(2) . .
C10 N6 Cu1 113.7(14) . .
C38 N6 Cu1 129.9(17) . .
P1 O12 O25 54.4(15) . .
P1 O12 W3 128.6(19) . .
O25 O12 W3 74.2(17) . .
P1 O12 W2 122(2) . .
O25 O12 W2 134(2) . .
W3 O12 W2 94.5(12) . .
P1 O12 W6 118.8(19) . 2_756
O25 O12 W6 133(2) . 2_756
W3 O12 W6 92.6(12) . 2_756
W2 O12 W6 91.4(11) . 2_756
W5 O10 W4 140.8(10) . .
N6 C10 C17 123(2) . .
N6 C10 C9 115.3(19) . .
C17 C10 C9 121(2) . .
N6 C38 C11 123(2) . .
C4 C41 C7 119(3) . .
W2 O13 W1 140.2(11) . .
W3 O3 W6 141.2(13) 2_756 .
N2 N3 N4 110.1(17) . .
W5 O8 Cu1 148.0(11) . .
W2 O4 W4 141.1(12) . 2_756
W6 O1 W5 140.3(11) . .
W5 O11 W3 139.3(9) . .
W3 O19 W4 140.9(10) . .
N1 C1 C2 124(2) . .
C32 C8 C2 118(2) . 2_765
C32 C8 C4 118(2) . .
C2 C8 C4 124(2) 2_765 .
C1 C2 C8 119(3) . 2_765
W1 O17 W4 140.7(12) 2_756 .
W6 O16 W1 139.9(12) . .
N1 C3 C32 127(2) . 2_765
N8 C6 C5 124(3) . .
C5 C4 C41 119(3) . .
C5 C4 C8 120(2) . .
C41 C4 C8 121(2) . .
N8 C7 C41 123(3) . .
C4 C5 C6 117(3) . .
N2 N5 C9 104.3(17) . .
N2 N5 Cu1 141.7(14) . .
C9 N5 Cu1 113.9(14) . .
N3 N2 N5 110.4(16) . .
N3 N2 Cu1 124.6(13) . 2_655
N5 N2 Cu1 124.8(13) . 2_655
W5 O23 W1 138.0(10) . .
C9 N4 N3 102.9(18) . .
N4 C9 N5 112.3(19) . .
N4 C9 C10 131(2) . .
N5 C9 C10 116(2) . .
N9 C11 C38 119(2) . .
C7 N8 C6 118(3) . .
C17 N9 C11 120(2) . .
N9 C17 C10 119(3) . .
P1 O24 O25 53.5(14) . .
P1 O24 W4 126.5(17) . .
O25 O24 W4 73.0(15) . .
P1 O24 W1 122.4(17) . 2_756
O25 O24 W1 133(2) . 2_756
W4 O24 W1 93.0(11) . 2_756
P1 O24 W2 121.2(17) . 2_756
O25 O24 W2 133(2) . 2_756
W4 O24 W2 93.2(11) . 2_756
W1 O24 W2 91.5(10) 2_756 2_756
P1 O25 O12 58.9(16) . .
P1 O25 O26 56.6(16) . .
O12 O25 O26 94(2) . .
P1 O25 O24 57.2(15) . .
O12 O25 O24 95(2) . .
O26 O25 O24 93(2) . .
P1 O25 W5 125.9(18) . .
O12 O25 W5 130(2) . .
O26 O25 W5 69.3(16) . .
O24 O25 W5 131.5(19) . .
P1 O25 W3 124.4(17) . .
O12 O25 W3 65.6(15) . .
O26 O25 W3 134(2) . .
O24 O25 W3 128(2) . .
W5 O25 W3 91.7(10) . .
P1 O25 W4 123.1(17) . .
O12 O25 W4 130(2) . .
O26 O25 W4 130(2) . .
O24 O25 W4 66.0(14) . .
W5 O25 W4 91.0(10) . .
W3 O25 W4 90.4(10) . .
P1 O26 O25 55.4(16) . .
P1 O26 W5 126.0(19) . .
O25 O26 W5 70.6(15) . .
P1 O26 W6 124.2(18) . .
O25 O26 W6 134(2) . .
W5 O26 W6 92.9(11) . .
P1 O26 W1 121.8(18) . .
O25 O26 W1 131(2) . .
W5 O26 W1 92.0(11) . .
W6 O26 W1 90.2(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W5 O8 1.712(16) .
W5 O10 1.857(17) .
W5 O11 1.858(17) .
W5 O23 1.893(18) .
W5 O1 1.885(19) .
W5 O26 2.42(3) .
W5 O25 2.44(3) .
W2 O5 1.677(18) .
W2 O22 1.86(2) .
W2 O13 1.86(2) .
W2 O4 1.87(2) .
W2 O21 1.89(2) .
W2 O12 2.46(4) .
W2 O24 2.48(3) 2_756
P1 O25 1.48(3) .
P1 O25 1.48(3) 2_756
P1 O26 1.50(3) .
P1 O26 1.50(3) 2_756
P1 O24 1.55(3) .
P1 O24 1.55(3) 2_756
P1 O12 1.56(3) 2_756
P1 O12 1.56(3) .
W3 O20 1.657(19) .
W3 O3 1.86(2) 2_756
W3 O19 1.865(18) .
W3 O21 1.900(19) .
W3 O11 1.919(18) .
W3 O12 2.36(3) .
W3 O25 2.49(3) .
W4 O9 1.636(19) .
W4 O17 1.878(19) .
W4 O4 1.888(19) 2_756
W4 O19 1.900(18) .
W4 O10 1.892(17) .
W4 O24 2.40(3) .
W4 O25 2.51(3) .
W1 O18 1.653(18) .
W1 O17 1.863(19) 2_756
W1 O16 1.880(19) .
W1 O13 1.90(2) .
W1 O23 1.907(19) .
W1 O24 2.46(3) 2_756
W1 O26 2.51(3) .
W6 O2 1.648(18) .
W6 O16 1.864(19) .
W6 O3 1.871(19) .
W6 O1 1.876(19) .
W6 O22 1.89(2) 2_756
W6 O26 2.46(3) .
W6 O12 2.50(4) 2_756
Cu1 N2 1.975(17) 2_655
Cu1 N1 1.992(19) .
Cu1 N5 2.003(18) .
Cu1 N6 2.064(19) .
Cu1 O8 2.365(17) .
N1 C3 1.29(3) .
N1 C1 1.34(3) .
O22 W6 1.89(2) 2_756
C32 C8 1.39(4) .
C32 C3 1.42(3) 2_765
N6 C10 1.30(3) .
N6 C38 1.34(3) .
O12 O25 1.67(4) .
O12 W6 2.50(4) 2_756
C10 C17 1.41(3) .
C10 C9 1.47(3) .
C38 C11 1.39(4) .
C41 C4 1.36(4) .
C41 C7 1.38(4) .
O3 W3 1.86(2) 2_756
N3 N2 1.30(3) .
N3 N4 1.35(3) .
O4 W4 1.888(19) 2_756
C1 C2 1.37(3) .
C8 C2 1.40(4) 2_765
C8 C4 1.49(3) .
C2 C8 1.40(4) 2_765
O17 W1 1.863(19) 2_756
C3 C32 1.42(3) 2_765
C6 N8 1.33(4) .
C6 C5 1.37(4) .
C4 C5 1.38(4) .
C7 N8 1.32(4) .
N5 N2 1.32(2) .
N5 C9 1.34(3) .
N2 Cu1 1.975(17) 2_655
N4 C9 1.34(3) .
C11 N9 1.33(4) .
N9 C17 1.33(3) .
O24 O25 1.72(4) .
O24 W1 2.46(3) 2_756
O24 W2 2.48(3) 2_756
O25 O26 1.67(5) .
