#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:48:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180519 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/88/7218884.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_7218884
loop_
_publ_author_name
'Wang, Xiuli'
'Chang, Zhihan'
'Lin, Hongyan'
'Tian, Aixiang'
'Liu, Guocheng'
'Zhang, Juwen'
'Liu, Danna'
_publ_section_title
;
 Effect of polyoxoanions and amide group coordination modes on the
 assembly of polyoxometalate-based metal--organic complexes constructed
 from a semi-rigid bis-pyridyl-bis-amide ligand
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              895
_journal_paper_doi               10.1039/C4CE01933D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C32 H46 Cu2 N8 O51 P W12'
_chemical_formula_weight         3723.02
_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                106.6980(10)
_cell_angle_beta                 108.0700(10)
_cell_angle_gamma                108.9910(10)
_cell_formula_units_Z            1
_cell_length_a                   12.3280(8)
_cell_length_b                   12.6960(8)
_cell_length_c                   13.8590(9)
_cell_measurement_reflns_used    3371
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.8783
_cell_measurement_theta_min      2.6722
_cell_volume                     1758.7(2)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9019
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.8783
_diffrn_reflns_theta_min         2.6722
_exptl_absorpt_coefficient_mu    20.252
_exptl_absorpt_correction_T_max  0.009
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BULE
_exptl_crystal_density_diffrn    3.502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1649
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_platon_squeeze_details
;
;
_refine_diff_density_max         2.719
_refine_diff_density_min         -3.493
_refine_diff_density_rms         0.347
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         6148
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0481
_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)+(0.0669P)²+30.8300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1242
_refine_ls_wR_factor_ref         0.1305
_reflns_number_gt                5084
_reflns_number_total             8391
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01933d2.cif
_cod_data_source_block           complex2
_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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7218883--7218886.cif.
;
_cod_database_code               7218884
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 0.26384(6) 0.26961(5) 0.56046(5) 0.02157(16) Uani 1 1 d .
P1 P 0.0000 0.0000 0.5000 0.0176(10) Uani 1 2 d S
Cu1 Cu 0.2404(2) -0.43910(18) 0.32724(15) 0.0288(4) Uani 1 1 d .
O1 O 0.1917(10) -0.2642(9) 0.3184(8) 0.029(2) Uani 1 1 d .
N1 N 0.3817(14) -0.3142(12) 0.4786(10) 0.028(3) Uani 1 1 d .
O1W O 0.1228(14) -0.4652(11) 0.4023(11) 0.048(3) Uani 1 1 d .
C1 C -0.1279(19) -0.6290(15) 0.0446(14) 0.039(4) Uani 1 1 d .
W2 W 0.18632(6) 0.23503(5) 0.77839(5) 0.02619(17) Uani 1 1 d .
N2 N 0.0923(15) -0.5489(12) 0.1743(11) 0.036(4) Uani 1 1 d .
O2 O 0.2763(16) -0.0542(13) 0.5095(12) 0.072(5) Uani 1 1 d U
O2W O 0.2694(17) -0.6001(13) 0.3402(12) 0.061(4) Uani 1 1 d .
C2 C -0.0188(17) -0.5482(15) 0.1480(13) 0.033(4) Uani 1 1 d .
H2A H -0.0262 -0.4904 0.2012 0.040 Uiso 1 1 calc R
W3 W 0.05055(7) -0.21860(6) 0.59135(5) 0.03031(19) Uani 1 1 d .
O3W O 0.3623(11) -0.4007(12) 0.2621(9) 0.042(3) Uani 1 1 d .
O3 O 0.0799(16) -0.2608(13) 0.4607(12) 0.071(5) Uani 1 1 d U
C3 C 0.5031(16) -0.2586(17) 0.6744(14) 0.035(4) Uani 1 1 d .
N3 N -0.3153(17) -0.6396(19) 0.0749(15) 0.062(5) Uani 1 1 d .
W4 W 0.31598(6) 0.05371(6) 0.65763(5) 0.02594(17) Uani 1 1 d .
C4 C 0.5737(19) -0.139(2) 0.6896(17) 0.052(5) Uani 1 1 d .
H4A H 0.6378 -0.0800 0.7607 0.062 Uiso 1 1 calc R
N4 N 0.453(2) -0.338(2) 0.8026(15) 0.071(5) Uani 1 1 d U
O4 O -0.0992(18) 0.0632(16) 0.4692(14) 0.014(4) Uani 0.50 1 d PU
O4W O 0.0000 0.0000 1.0000 0.091(9) Uani 1 2 d S
W5 W 0.13080(7) -0.17444(6) 0.37498(7) 0.0402(2) Uani 1 1 d .
C5 C 0.5372(19) -0.295(2) 0.7681(16) 0.051(5) Uani 1 1 d .
O5 O -0.141(2) -0.1022(18) 0.4126(15) 0.023(4) Uani 0.50 1 d P
W6 W -0.07513(7) -0.04028(7) 0.71713(6) 0.0369(2) Uani 1 1 d .
O6 O 0.0842(18) 0.1020(16) 0.8045(16) 0.085(5) Uani 1 1 d U
C6 C 0.008(3) -0.715(2) -0.006(2) 0.095(11) Uani 1 1 d .
H6A H 0.0198 -0.7735 -0.0539 0.114 Uiso 1 1 calc R
O7 O 0.0571(18) 0.1028(16) 0.4616(15) 0.018(4) Uani 0.50 1 d PU
C7 C -0.113(3) -0.714(3) -0.0361(19) 0.085(9) Uani 1 1 d .
H7A H -0.1803 -0.7668 -0.1074 0.102 Uiso 1 1 calc R
O8 O 0.2503(15) 0.3146(13) 0.6985(10) 0.051(4) Uani 1 1 d .
C8 C 0.4083(18) -0.3424(17) 0.5666(14) 0.039(4) Uani 1 1 d .
H8A H 0.3603 -0.4226 0.5546 0.046 Uiso 1 1 calc R
O9 O 0.2221(15) 0.1749(15) 0.4111(10) 0.067(5) Uani 1 1 d .
C9 C 0.105(2) -0.628(2) 0.0982(18) 0.062(6) Uani 1 1 d .
H9A H 0.1863 -0.6236 0.1161 0.074 Uiso 1 1 calc R
O10 O -0.1108(14) -0.0564(14) 0.8232(12) 0.061(4) Uani 1 1 d .
C10 C 0.5501(19) -0.1087(17) 0.6020(16) 0.043(4) Uani 1 1 d .
H10A H 0.5973 -0.0292 0.6119 0.051 Uiso 1 1 calc R
O11 O 0.2757(14) 0.3440(10) 0.9086(9) 0.048(4) Uani 1 1 d .
C11 C 0.4511(15) -0.2014(15) 0.4945(14) 0.029(4) Uani 1 1 d .
H11A H 0.4349 -0.1817 0.4336 0.035 Uiso 1 1 calc R
O12 O 0.1540(17) -0.0623(15) 0.3122(16) 0.085(5) Uani 1 1 d U
C12 C 0.315(3) -0.358(3) 0.759(2) 0.075(7) Uani 1 1 d U
H12A H 0.2996 -0.3201 0.7081 0.090 Uiso 1 1 calc R
H12B H 0.2569 -0.4462 0.7174 0.090 Uiso 1 1 calc R
O13 O 0.4646(13) 0.0810(14) 0.7328(11) 0.052(4) Uani 1 1 d .
C13 C 0.293(3) -0.308(3) 0.847(2) 0.074(7) Uani 1 1 d U
H13A H 0.2046 -0.3216 0.8192 0.111 Uiso 1 1 calc R
H13B H 0.3480 -0.2200 0.8856 0.111 Uiso 1 1 calc R
O14 O 0.0740(13) -0.3260(11) 0.6335(10) 0.050(4) Uani 1 1 d .
C14 C 0.473(2) -0.400(3) 0.8806(19) 0.071(7) Uani 1 1 d .
H14A H 0.4173 -0.4879 0.8387 0.085 Uiso 1 1 calc R
H14B H 0.5607 -0.3864 0.9107 0.085 Uiso 1 1 calc R
O15 O 0.3887(16) 0.3985(11) 0.5902(16) 0.072(5) Uani 1 1 d .
C15 C -0.2514(18) -0.6245(17) 0.0108(14) 0.043(5) Uani 1 1 d .
O16 O 0.3501(18) 0.1821(14) 0.6087(10) 0.063(5) Uani 1 1 d .
C16 C 0.445(2) -0.353(3) 0.968(2) 0.070(7) Uani 1 1 d .
H16A H 0.5084 -0.2670 1.0158 0.084 Uiso 1 1 calc R
H16B H 0.4507 -0.3984 1.0129 0.084 Uiso 1 1 calc R
O17 O 0.2185(18) -0.0874(15) 0.6706(14) 0.079(5) Uani 1 1 d U
O18 O 0.0144(13) -0.1347(13) 0.7049(10) 0.054(4) Uani 1 1 d U
O19 O 0.2881(15) 0.1523(13) 0.7693(11) 0.052(4) Uani 1 1 d .
O20 O -0.1244(17) -0.3063(17) 0.4941(10) 0.078(6) Uani 1 1 d .
O21 O 0.0450(17) 0.2667(16) 0.7298(16) 0.085(5) Uani 1 1 d U
O22 O -0.0020(18) -0.0744(18) 0.3780(15) 0.022(4) Uani 0.50 1 d P
O23 O -0.2957(18) -0.6071(18) -0.0698(12) 0.084(6) Uani 1 1 d .
O24 O 0.6403(14) -0.2996(15) 0.8028(11) 0.055(4) 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
O15 W1 O9 100.4(8) . .
O15 W1 O16 100.1(8) . .
O9 W1 O16 90.1(5) . .
O15 W1 O8 100.7(7) . .
O9 W1 O8 158.8(7) . .
O16 W1 O8 88.2(5) . .
O15 W1 O20 101.4(9) . 2_556
O9 W1 O20 88.6(5) . 2_556
O16 W1 O20 158.4(8) . 2_556
O8 W1 O20 85.3(5) . 2_556
O15 W1 O7 158.8(8) . .
O9 W1 O7 66.5(7) . .
O16 W1 O7 96.6(7) . .
O8 W1 O7 92.8(6) . .
O20 W1 O7 63.2(7) 2_556 .
O15 W1 O5 158.1(8) . 2_556
O9 W1 O5 95.6(7) . 2_556
O16 W1 O5 64.8(7) . 2_556
O8 W1 O5 64.7(6) . 2_556
O20 W1 O5 93.8(8) 2_556 2_556
O7 W1 O5 43.0(6) . 2_556
O5 P1 O5 179.998(3) . 2_556
O5 P1 O7 113.6(9) . .
O5 P1 O7 66.4(9) 2_556 .
O5 P1 O7 66.4(9) . 2_556
O5 P1 O7 113.6(9) 2_556 2_556
O7 P1 O7 180.0(10) . 2_556
O5 P1 O22 109.7(9) . 2_556
O5 P1 O22 70.3(9) 2_556 2_556
O7 P1 O22 106.0(9) . 2_556
O7 P1 O22 74.0(9) 2_556 2_556
O5 P1 O22 70.3(9) . .
O5 P1 O22 109.7(9) 2_556 .
O7 P1 O22 74.0(9) . .
O7 P1 O22 106.0(9) 2_556 .
O22 P1 O22 180.0(15) 2_556 .
O5 P1 O4 111.4(10) . 2_556
O5 P1 O4 68.6(10) 2_556 2_556
O7 P1 O4 110.2(9) . 2_556
O7 P1 O4 69.8(9) 2_556 2_556
O22 P1 O4 105.3(9) 2_556 2_556
O22 P1 O4 74.7(9) . 2_556
O5 P1 O4 68.6(10) . .
O5 P1 O4 111.4(10) 2_556 .
O7 P1 O4 69.8(9) . .
O7 P1 O4 110.2(9) 2_556 .
O22 P1 O4 74.7(9) 2_556 .
O22 P1 O4 105.3(9) . .
O4 P1 O4 179.999(6) 2_556 .
O3W Cu1 N1 88.9(5) . .
O3W Cu1 N2 91.8(5) . .
N1 Cu1 N2 173.2(6) . .
O3W Cu1 O1W 175.8(5) . .
N1 Cu1 O1W 87.5(5) . .
N2 Cu1 O1W 91.4(5) . .
O3W Cu1 O2W 92.8(5) . .
N1 Cu1 O2W 95.7(6) . .
N2 Cu1 O2W 90.9(6) . .
O1W Cu1 O2W 89.8(5) . .
C11 N1 C8 118.4(15) . .
C11 N1 Cu1 120.5(10) . .
C8 N1 Cu1 121.1(12) . .
C2 C1 C7 117(2) . .
C2 C1 C15 125.1(15) . .
C7 C1 C15 118.1(18) . .
O11 W2 O21 102.5(8) . .
O11 W2 O8 101.1(7) . .
O21 W2 O8 87.8(6) . .
O11 W2 O19 100.2(7) . .
O21 W2 O19 157.3(8) . .
O8 W2 O19 88.6(5) . .
O11 W2 O6 100.4(7) . .
O21 W2 O6 89.3(7) . .
O8 W2 O6 158.4(7) . .
O19 W2 O6 85.9(7) . .
O11 W2 O22 157.7(7) . 2_556
O21 W2 O22 63.5(8) . 2_556
O8 W2 O22 95.9(7) . 2_556
O19 W2 O22 94.6(7) . 2_556
O6 W2 O22 63.8(7) . 2_556
O11 W2 O5 156.4(7) . 2_556
O21 W2 O5 94.7(8) . 2_556
O8 W2 O5 63.1(6) . 2_556
O19 W2 O5 63.8(6) . 2_556
O6 W2 O5 95.8(7) . 2_556
O22 W2 O5 46.0(7) 2_556 2_556
C2 N2 C9 118.5(16) . .
C2 N2 Cu1 122.3(10) . .
C9 N2 Cu1 119.2(14) . .
W5 O2 W4 138.6(9) . .
N2 C2 C1 124.4(15) . .
O14 W3 O20 100.4(7) . .
O14 W3 O17 100.6(7) . .
O20 W3 O17 158.9(8) . .
O14 W3 O18 100.4(6) . .
O20 W3 O18 89.6(6) . .
O17 W3 O18 87.5(7) . .
O14 W3 O3 99.4(7) . .
O20 W3 O3 87.4(7) . .
O17 W3 O3 88.3(6) . .
O18 W3 O3 160.2(7) . .
O14 W3 O4 155.7(7) . 2_556
O20 W3 O4 97.6(7) . 2_556
O17 W3 O4 62.0(7) . 2_556
O18 W3 O4 95.9(6) . 2_556
O3 W3 O4 65.2(6) . 2_556
O14 W3 O7 157.7(7) . 2_556
O20 W3 O7 62.7(7) . 2_556
O17 W3 O7 97.2(7) . 2_556
O18 W3 O7 66.9(6) . 2_556
O3 W3 O7 94.4(7) . 2_556
O4 W3 O7 46.6(6) 2_556 2_556
W3 O3 W5 135.3(9) . .
C8 C3 C4 116.8(16) . .
C8 C3 C5 122.4(18) . .
C4 C3 C5 120.6(17) . .
C15 N3 C13 125(2) . 2_546
C15 N3 C16 116.9(16) . 2_546
C13 N3 C16 113.7(17) 2_546 2_546
O13 W4 O19 100.8(7) . .
O13 W4 O17 101.5(8) . .
O19 W4 O17 89.0(6) . .
O13 W4 O2 102.7(7) . .
O19 W4 O2 156.5(7) . .
O17 W4 O2 87.9(6) . .
O13 W4 O16 100.2(7) . .
O19 W4 O16 88.4(5) . .
O17 W4 O16 158.3(8) . .
O2 W4 O16 86.0(6) . .
O13 W4 O4 157.3(7) . 2_556
O19 W4 O4 94.5(6) . 2_556
O17 W4 O4 61.9(7) . 2_556
O2 W4 O4 63.6(7) . 2_556
O16 W4 O4 96.8(7) . 2_556
O13 W4 O5 157.2(7) . 2_556
O19 W4 O5 64.7(6) . 2_556
O17 W4 O5 96.0(8) . 2_556
O2 W4 O5 92.4(7) . 2_556
O16 W4 O5 63.5(7) . 2_556
O4 W4 O5 45.5(6) 2_556 2_556
C10 C4 C3 120.7(18) . .
C5 N4 C14 123(2) . .
C5 N4 C12 128.3(19) . .
C14 N4 C12 108.0(18) . .
P1 O4 W4 123.0(9) . 2_556
P1 O4 W3 121.2(9) . 2_556
W4 O4 W3 98.2(7) 2_556 2_556
P1 O4 W5 115.9(8) . 2_556
W4 O4 W5 96.0(6) 2_556 2_556
W3 O4 W5 96.8(6) 2_556 2_556
O1 W5 O12 102.0(7) . .
O1 W5 O2 100.9(6) . .
O12 W5 O2 89.6(7) . .
O1 W5 O21 100.7(7) . 2_556
O12 W5 O21 91.0(7) . 2_556
O2 W5 O21 157.7(8) . 2_556
O1 W5 O3 97.1(6) . .
O12 W5 O3 160.9(8) . .
O2 W5 O3 87.9(6) . .
O21 W5 O3 84.3(7) 2_556 .
O1 W5 O22 157.5(6) . .
O12 W5 O22 66.0(8) . .
O2 W5 O22 98.0(7) . .
O21 W5 O22 62.2(7) 2_556 .
O3 W5 O22 95.6(7) . .
O1 W5 O4 152.1(6) . 2_556
O12 W5 O4 99.6(7) . 2_556
O2 W5 O4 61.7(6) . 2_556
O21 W5 O4 96.3(8) 2_556 2_556
O3 W5 O4 62.7(6) . 2_556
O22 W5 O4 49.9(6) . 2_556
O24 C5 N4 119.9(19) . .
O24 C5 C3 119.1(17) . .
N4 C5 C3 120.4(18) . .
P1 O5 O7 57.0(9) . 2_556
P1 O5 W1 124.5(10) . 2_556
O7 O5 W1 67.6(8) 2_556 2_556
P1 O5 W4 123.0(10) . 2_556
O7 O5 W4 135.2(12) 2_556 2_556
W1 O5 W4 94.7(7) 2_556 2_556
P1 O5 W2 120.2(10) . 2_556
O7 O5 W2 127.9(12) 2_556 2_556
W1 O5 W2 93.8(7) 2_556 2_556
W4 O5 W2 92.6(6) 2_556 2_556
O10 W6 O18 101.1(7) . .
O10 W6 O6 98.7(8) . .
O18 W6 O6 88.3(7) . .
O10 W6 O9 101.2(7) . 2_556
O18 W6 O9 88.8(6) . 2_556
O6 W6 O9 160.1(8) . 2_556
O10 W6 O12 98.8(8) . 2_556
O18 W6 O12 160.1(8) . 2_556
O6 W6 O12 89.0(7) . 2_556
O9 W6 O12 87.1(7) 2_556 2_556
O10 W6 O22 154.4(7) . 2_556
O18 W6 O22 96.4(7) . 2_556
O6 W6 O22 63.2(7) . 2_556
O9 W6 O22 97.6(7) 2_556 2_556
O12 W6 O22 64.9(8) 2_556 2_556
O10 W6 O7 158.2(7) . 2_556
O18 W6 O7 65.2(6) . 2_556
O6 W6 O7 97.8(7) . 2_556
O9 W6 O7 63.2(6) 2_556 2_556
O12 W6 O7 95.7(8) 2_556 2_556
O22 W6 O7 47.4(6) 2_556 2_556
W6 O6 W2 135.3(10) . .
C9 C6 C7 117(2) . .
P1 O7 O5 56.7(9) . 2_556
P1 O7 W1 126.1(10) . .
O5 O7 W1 69.4(9) 2_556 .
P1 O7 W3 122.5(10) . 2_556
O5 O7 W3 135.2(11) 2_556 2_556
W1 O7 W3 95.8(6) . 2_556
P1 O7 W6 119.1(9) . 2_556
O5 O7 W6 129.7(12) 2_556 2_556
W1 O7 W6 93.2(6) . 2_556
W3 O7 W6 91.8(6) 2_556 2_556
C1 C7 C6 119(2) . .
W2 O8 W1 137.9(8) . .
N1 C8 C3 123.8(17) . .
W1 O9 W6 136.9(10) . 2_556
N2 C9 C6 125(2) . .
C4 C10 C11 118.2(18) . .
N1 C11 C10 122.1(15) . .
W5 O12 W6 134.9(11) . 2_556
C13 C12 N4 109(2) . .
C12 C13 N3 112(2) . 2_546
C16 C14 N4 111(2) . .
O23 C15 N3 120(2) . .
O23 C15 C1 121.6(18) . .
N3 C15 C1 118.3(16) . .
W1 O16 W4 136.5(10) . .
C14 C16 N3 111.1(19) . 2_546
W3 O17 W4 137.6(11) . .
W6 O18 W3 135.9(7) . .
W4 O19 W2 138.4(8) . .
W3 O20 W1 137.4(10) . 2_556
W2 O21 W5 137.0(10) . 2_556
P1 O22 W2 123.5(10) . 2_556
P1 O22 W5 119.4(10) . .
W2 O22 W5 96.6(7) 2_556 .
P1 O22 W6 119.5(10) . 2_556
W2 O22 W6 97.4(7) 2_556 2_556
W5 O22 W6 94.0(7) . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O15 1.672(13) .
W1 O9 1.871(12) .
W1 O16 1.889(12) .
W1 O8 1.909(10) .
W1 O20 1.914(13) 2_556
W1 O7 2.348(18) .
W1 O5 2.378(19) 2_556
P1 O5 1.58(2) .
P1 O5 1.58(2) 2_556
P1 O7 1.586(17) .
P1 O7 1.586(17) 2_556
P1 O22 1.671(19) 2_556
P1 O22 1.671(18) .
P1 O4 1.683(18) 2_556
P1 O4 1.683(18) .
Cu1 O3W 1.983(11) .
Cu1 N1 1.994(13) .
Cu1 N2 2.003(15) .
Cu1 O1W 2.028(12) .
Cu1 O2W 2.234(12) .
O1 W5 1.699(10) .
N1 C11 1.32(2) .
N1 C8 1.34(2) .
C1 C2 1.41(2) .
C1 C7 1.42(3) .
C1 C15 1.47(3) .
W2 O11 1.651(11) .
W2 O21 1.879(17) .
W2 O8 1.880(12) .
W2 O19 1.891(12) .
W2 O6 1.954(18) .
W2 O22 2.326(19) 2_556
W2 O5 2.464(18) 2_556
N2 C2 1.31(2) .
N2 C9 1.32(2) .
O2 W5 1.879(15) .
O2 W4 1.912(13) .
W3 O14 1.701(12) .
W3 O20 1.865(16) .
W3 O17 1.887(17) .
W3 O18 1.895(12) .
W3 O3 1.916(12) .
W3 O4 2.334(17) 2_556
W3 O7 2.397(19) 2_556
O3 W5 1.942(14) .
C3 C8 1.39(2) .
C3 C4 1.39(3) .
C3 C5 1.49(2) .
N3 C15 1.37(2) .
N3 C13 1.42(3) 2_546
N3 C16 1.48(3) 2_546
W4 O13 1.661(13) .
W4 O19 1.891(11) .
W4 O17 1.899(16) .
W4 O16 1.913(13) .
W4 O4 2.333(19) 2_556
W4 O5 2.42(2) 2_556
C4 C10 1.35(3) .
N4 C5 1.30(3) .
N4 C14 1.51(3) .
N4 C12 1.53(3) .
O4 W4 2.333(19) 2_556
O4 W3 2.334(17) 2_556
O4 W5 2.437(16) 2_556
W5 O12 1.862(16) .
W5 O21 1.897(18) 2_556
W5 O22 2.38(2) .
W5 O4 2.437(16) 2_556
C5 O24 1.24(2) .
O5 O7 1.73(3) 2_556
O5 W1 2.378(19) 2_556
O5 W4 2.42(2) 2_556
O5 W2 2.464(18) 2_556
W6 O10 1.707(14) .
W6 O18 1.883(12) .
W6 O6 1.883(19) .
W6 O9 1.899(15) 2_556
W6 O12 1.921(15) 2_556
W6 O22 2.396(19) 2_556
W6 O7 2.478(17) 2_556
C6 C9 1.38(3) .
C6 C7 1.42(4) .
O7 O5 1.73(3) 2_556
O7 W3 2.397(19) 2_556
O7 W6 2.478(17) 2_556
O9 W6 1.899(14) 2_556
C10 C11 1.42(3) .
O12 W6 1.921(15) 2_556
C12 C13 1.36(3) .
C13 N3 1.42(3) 2_546
C14 C16 1.38(3) .
C15 O23 1.20(2) .
C16 N3 1.48(3) 2_546
O20 W1 1.914(13) 2_556
O21 W5 1.897(18) 2_556
O22 W2 2.326(18) 2_556
O22 W6 2.396(19) 2_556
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 1.000 1.000 150 35 ' '
