#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:53:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180522 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/91/7219119.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_7219119
loop_
_publ_author_name
'Xiao, Li-Na'
'Wang, La-Mei'
'Shan, Xiao-Nan'
'Guo, Hai-Yang'
'Fu, Li-Wei'
'Hu, Yang-Yang'
'Cui, Xiao-Bing'
'Li, Ke-Chang'
'Xu, Ji-Qing'
_publ_section_title
;
 Secondary organic moiety templated organic--inorganic
 polyoxometalate-based frameworks
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1336
_journal_paper_doi               10.1039/C4CE02043J
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C54 H44 Cu2 N10 O42 P W12'
_chemical_formula_weight         3869.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-06-03 deposited with the CCDC.
2014-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 115.17(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   22.726(4)
_cell_length_b                   15.455(3)
_cell_length_c                   12.036(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3826.0(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18862
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    18.619
_exptl_absorpt_correction_T_max  0.1440
_exptl_absorpt_correction_T_min  0.0635
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    3.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3469
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         3.128
_refine_diff_density_min         -3.592
_refine_diff_density_rms         0.515
_refine_ls_extinction_coef       0.00013(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         4515
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.1017
_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)+(0.0000P)²+2170.1165P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2294
_refine_ls_wR_factor_ref         0.2347
_reflns_number_gt                4152
_reflns_number_total             4515
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce02043j2.cif
_cod_data_source_block           k
_cod_depositor_comments
'Adding full bibliography for 7219116--7219119.cif.'
_cod_original_cell_volume        3826.0(12)
_cod_original_sg_symbol_H-M      c2/m
_cod_database_code               7219119
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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 -0.64646(6) -0.61431(7) 0.83420(11) 0.0324(4) Uani 1 1 d .
W2 W -0.52112(7) -0.61607(10) 0.73013(13) 0.0437(4) Uani 1 1 d .
W3 W -0.5000 -0.73045(9) 1.0000 0.0380(5) Uani 1 2 d S
W4 W -0.37596(8) -0.5000 0.89152(15) 0.0247(4) Uani 1 2 d S
Cu1 Cu -0.6952(3) -1.0000 0.8635(4) 0.0257(10) Uani 1 2 d S
P1 P -0.5000 -0.5000 1.0000 0.029(3) Uani 1 4 d S
OW1 O -0.5846(14) -1.0000 0.929(3) 0.033(6) Uani 1 2 d S
O1 O -0.575(2) -0.5000 0.962(4) 0.018(9) Uani 0.50 2 d SP
O2 O -0.488(2) -0.5000 0.883(4) 0.019(9) Uani 0.50 2 d SPU
O3 O -0.5258(15) -0.580(2) 0.930(3) 0.018(6) Uani 0.50 1 d PU
O4 O -0.671(3) -0.5000 0.781(4) 0.10(2) Uani 1 2 d S
O5 O -0.3154(13) -0.5000 0.842(3) 0.030(6) Uani 1 2 d S
O6 O -0.7152(10) -0.6702(15) 0.7559(19) 0.039(5) Uani 1 1 d .
O7 O -0.5000 -0.838(2) 1.0000 0.055(9) Uani 1 2 d S
O8 O -0.4308(11) -0.5854(15) 0.794(2) 0.041(5) Uani 1 1 d U
O9 O -0.653(2) -0.5852(15) 0.984(2) 0.087(13) Uani 1 1 d .
O10 O -0.5422(15) -0.5000 0.667(3) 0.053(9) Uani 1 2 d S
O11 O -0.6057(10) -0.619(2) 0.725(3) 0.070(9) Uani 1 1 d .
O12 O -0.5887(12) -0.703(2) 0.927(3) 0.065(8) Uani 1 1 d .
O13 O -0.4977(10) -0.707(2) 0.846(2) 0.062(8) Uani 1 1 d .
O14 O -0.5335(16) -0.673(2) 0.594(4) 0.098(13) Uani 1 1 d .
N3 N -0.499(4) 0.0000 0.202(6) 0.11(3) Uani 1 2 d S
N1 N -0.7154(8) -0.9096(9) 0.7300(13) 0.028(5) Uani 1 1 d G
C1 C -0.6653(6) -0.8738(12) 0.7079(15) 0.042(8) Uani 1 1 d G
H1A H -0.6226 -0.8911 0.7543 0.051 Uiso 1 1 calc R
C2 C -0.6790(7) -0.8119(12) 0.6164(16) 0.029(6) Uani 1 1 d G
H2A H -0.6455 -0.7879 0.6016 0.034 Uiso 1 1 calc R
C3 C -0.7428(8) -0.7859(10) 0.5470(13) 0.024(5) Uani 1 1 d G
C4 C -0.7929(6) -0.8218(12) 0.5691(15) 0.037(7) Uani 1 1 d G
H4A H -0.8356 -0.8044 0.5226 0.044 Uiso 1 1 calc R
C5 C -0.7792(7) -0.8836(11) 0.6606(16) 0.033(6) Uani 1 1 d G
H5A H -0.8127 -0.9076 0.6754 0.039 Uiso 1 1 calc R
C6 C -0.6770(10) -0.8263(9) 0.9974(14) 0.035(7) Uani 1 1 d G
H6A H -0.6806 -0.7993 0.9257 0.042 Uiso 1 1 calc R
C7 C -0.6665(11) -0.7772(7) 1.1009(18) 0.050(9) Uani 1 1 d G
H7A H -0.6631 -0.7173 1.0984 0.060 Uiso 1 1 calc R
C8 C -0.6611(10) -0.8175(11) 1.2080(14) 0.037(7) Uani 1 1 d G
H8A H -0.6541 -0.7847 1.2772 0.045 Uiso 1 1 calc R
C9 C -0.6663(9) -0.9070(11) 1.2116(12) 0.031(6) Uani 1 1 d G
C10 C -0.6768(9) -0.9561(7) 1.1081(14) 0.026(6) Uani 1 1 d G
C13 C -0.501(2) 0.074(3) 0.378(4) 0.064(12) Uani 1 1 d .
H13A H -0.5013 0.1268 0.4155 0.076 Uiso 1 1 calc R
C14 C -0.502(2) 0.0000 0.436(4) 0.043(12) Uani 1 2 d S
C12 C -0.500(3) 0.075(4) 0.263(4) 0.10(2) Uani 1 1 d .
H12A H -0.5003 0.1281 0.2262 0.117 Uiso 1 1 calc R
C11 C -0.6634(16) -0.959(2) 1.317(2) 0.047(9) Uani 1 1 d .
H11A H -0.6615 -0.9308 1.3862 0.056 Uiso 1 1 calc R
N2 N -0.6822(8) -0.9158(9) 1.0010(11) 0.022(4) Uani 1 1 d G
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'
P P 0.1023 0.0942 '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
O6 W1 O4 103(2) . .
O6 W1 O12 101.8(12) . .
O4 W1 O12 155(2) . .
O6 W1 O11 101.7(12) . .
O4 W1 O11 87.8(18) . .
O12 W1 O11 87.6(12) . .
O6 W1 O9 103.0(14) . .
O4 W1 O9 88.3(13) . .
O12 W1 O9 85.8(13) . .
O11 W1 O9 155.3(15) . .
O6 W1 O1 159.1(12) . .
O4 W1 O1 63.7(18) . .
O12 W1 O1 92.4(13) . .
O11 W1 O1 94.1(15) . .
O9 W1 O1 62.4(15) . .
O6 W1 O3 158.2(10) . .
O4 W1 O3 94(2) . .
O12 W1 O3 62.5(11) . .
O11 W1 O3 64.6(11) . .
O9 W1 O3 91.4(14) . .
O1 W1 O3 42.6(12) . .
O14 W2 O13 101.4(17) . .
O14 W2 O11 101.4(15) . .
O13 W2 O11 88.4(11) . .
O14 W2 O8 102.4(13) . .
O13 W2 O8 88.3(10) . .
O11 W2 O8 156.1(13) . .
O14 W2 O10 100.5(18) . .
O13 W2 O10 158.1(15) . .
O11 W2 O10 86.0(14) . .
O8 W2 O10 88.4(12) . .
O14 W2 O2 159.2(17) . .
O13 W2 O2 95.2(13) . .
O11 W2 O2 91.5(15) . .
O8 W2 O2 65.4(13) . .
O10 W2 O2 63.9(13) . .
O14 W2 O3 159.8(15) . .
O13 W2 O3 64.7(13) . .
O11 W2 O3 65.3(12) . .
O8 W2 O3 92.0(10) . .
O10 W2 O3 93.8(14) . .
O2 W2 O3 40.9(12) . .
O7 W3 O12 103.1(10) . 2_457
O7 W3 O12 103.1(11) . .
O12 W3 O12 154(2) 2_457 .
O7 W3 O13 100.9(10) . 2_457
O12 W3 O13 88.1(10) 2_457 2_457
O12 W3 O13 87.0(11) . 2_457
O7 W3 O13 100.9(10) . .
O12 W3 O13 87.0(11) 2_457 .
O12 W3 O13 88.1(10) . .
O13 W3 O13 158(2) 2_457 .
O7 W3 O3 161.0(7) . 2_457
O12 W3 O3 64.6(12) 2_457 2_457
O12 W3 O3 90.0(13) . 2_457
O13 W3 O3 65.6(12) 2_457 2_457
O13 W3 O3 93.2(12) . 2_457
O7 W3 O3 161.0(7) . .
O12 W3 O3 90.0(13) 2_457 .
O12 W3 O3 64.6(12) . .
O13 W3 O3 93.2(12) 2_457 .
O13 W3 O3 65.6(12) . .
O3 W3 O3 38.1(15) 2_457 .
O5 W4 O8 101.6(10) . .
O5 W4 O8 101.6(10) . 6_545
O8 W4 O8 90.9(14) . 6_545
O5 W4 O9 102.7(14) . 5_447
O8 W4 O9 155.6(14) . 5_447
O8 W4 O9 85.2(12) 6_545 5_447
O5 W4 O9 102.7(14) . 2_457
O8 W4 O9 85.2(12) . 2_457
O8 W4 O9 155.6(14) 6_545 2_457
O9 W4 O9 88.4(14) 5_447 2_457
O5 W4 O1 158.0(15) . 5_447
O8 W4 O1 93.7(10) . 5_447
O8 W4 O1 93.7(10) 6_545 5_447
O9 W4 O1 62.7(13) 5_447 5_447
O9 W4 O1 62.7(13) 2_457 5_447
O5 W4 O2 159.5(15) . .
O8 W4 O2 64.9(10) . .
O8 W4 O2 64.9(10) 6_545 .
O9 W4 O2 91.9(15) 5_447 .
O9 W4 O2 91.9(15) 2_457 .
O1 W4 O2 42.5(15) 5_447 .
N2 Cu1 N2 79.9(11) . 6_535
N2 Cu1 N1 174.0(7) . 6_535
N2 Cu1 N1 96.3(9) 6_535 6_535
N2 Cu1 N1 96.3(7) . .
N2 Cu1 N1 174.0(12) 6_535 .
N1 Cu1 N1 87.0(10) 6_535 .
N2 Cu1 OW1 87.8(7) . .
N2 Cu1 OW1 87.8(13) 6_535 .
N1 Cu1 OW1 96.8(7) 6_535 .
N1 Cu1 OW1 96.8(7) . .
N2 Cu1 O5 82.3(7) . 3_445
N2 Cu1 O5 82.3(13) 6_535 3_445
N1 Cu1 O5 92.6(7) 6_535 3_445
N1 Cu1 O5 92.6(7) . 3_445
OW1 Cu1 O5 167.0(10) . 3_445
O3 P1 O3 180.0(14) 5_447 .
O3 P1 O3 66(2) 5_447 6_545
O3 P1 O3 114(2) . 6_545
O3 P1 O3 114(2) 5_447 2_457
O3 P1 O3 66(2) . 2_457
O3 P1 O3 180.000(9) 6_545 2_457
O3 P1 O2 110.0(15) 5_447 .
O3 P1 O2 70.0(15) . .
O3 P1 O2 70.0(15) 6_545 .
O3 P1 O2 110.0(15) 2_457 .
O3 P1 O2 70.0(15) 5_447 5_447
O3 P1 O2 110.0(15) . 5_447
O3 P1 O2 110.0(15) 6_545 5_447
O3 P1 O2 70.0(15) 2_457 5_447
O2 P1 O2 180(3) . 5_447
O3 P1 O1 73.5(15) 5_447 5_447
O3 P1 O1 106.5(15) . 5_447
O3 P1 O1 106.5(15) 6_545 5_447
O3 P1 O1 73.5(15) 2_457 5_447
O2 P1 O1 71(2) . 5_447
O2 P1 O1 109(2) 5_447 5_447
O3 P1 O1 106.5(15) 5_447 .
O3 P1 O1 73.5(15) . .
O3 P1 O1 73.5(15) 6_545 .
O3 P1 O1 106.5(15) 2_457 .
O2 P1 O1 109(2) . .
O2 P1 O1 71(2) 5_447 .
O1 P1 O1 180.000(3) 5_447 .
P1 O1 O2 54(2) . 5_447
P1 O1 O3 51.3(15) . .
O2 O1 O3 86(2) 5_447 .
P1 O1 O3 51.3(15) . 6_545
O2 O1 O3 86(2) 5_447 6_545
O3 O1 O3 86(3) . 6_545
P1 O1 W1 122.3(15) . .
O2 O1 W1 132.2(11) 5_447 .
O3 O1 W1 71.1(13) . .
O3 O1 W1 131(3) 6_545 .
P1 O1 W1 122.3(15) . 6_545
O2 O1 W1 132.2(11) 5_447 6_545
O3 O1 W1 131(3) . 6_545
O3 O1 W1 71.1(13) 6_545 6_545
W1 O1 W1 92.1(15) . 6_545
P1 O1 W4 124(3) . 5_447
O2 O1 W4 70(2) 5_447 5_447
O3 O1 W4 131.4(18) . 5_447
O3 O1 W4 131.4(18) 6_545 5_447
W1 O1 W4 93.7(13) . 5_447
W1 O1 W4 93.7(13) 6_545 5_447
P1 O2 O3 53.2(17) . 6_545
P1 O2 O3 53.2(17) . .
O3 O2 O3 92(3) 6_545 .
P1 O2 O1 55(2) . 5_447
O3 O2 O1 87(2) 6_545 5_447
O3 O2 O1 87(2) . 5_447
P1 O2 W2 124.6(14) . .
O3 O2 W2 137(3) 6_545 .
O3 O2 W2 71.4(13) . .
O1 O2 W2 129.3(12) 5_447 .
P1 O2 W2 124.6(14) . 6_545
O3 O2 W2 71.4(13) 6_545 6_545
O3 O2 W2 137(3) . 6_545
O1 O2 W2 129.3(12) 5_447 6_545
W2 O2 W2 94.2(16) . 6_545
P1 O2 W4 122(2) . .
O3 O2 W4 128.5(18) 6_545 .
O3 O2 W4 128.5(18) . .
O1 O2 W4 67(2) 5_447 .
W2 O2 W4 90.8(13) . .
W2 O2 W4 90.8(13) 6_545 .
P1 O3 O3 57.2(12) . 2_457
P1 O3 O2 56.8(17) . .
O3 O3 O2 96(2) 2_457 .
P1 O3 O1 55.3(16) . .
O3 O3 O1 91(2) 2_457 .
O2 O3 O1 91(2) . .
P1 O3 W3 128.2(17) . .
O3 O3 W3 71.0(7) 2_457 .
O2 O3 W3 135(2) . .
O1 O3 W3 131(2) . .
P1 O3 W2 124.5(18) . .
O3 O3 W2 135(3) 2_457 .
O2 O3 W2 67.7(17) . .
O1 O3 W2 129(2) . .
W3 O3 W2 91.3(11) . .
P1 O3 W1 121.5(17) . .
O3 O3 W1 130(3) 2_457 .
O2 O3 W1 126(2) . .
O1 O3 W1 66.2(15) . .
W3 O3 W1 90.8(11) . .
W2 O3 W1 90.0(10) . .
W1 O4 W1 140(3) 6_545 .
W4 O5 Cu1 156.4(16) . 3
W4 O8 W2 138.3(13) . .
W4 O9 W1 140.3(18) 5_447 .
W2 O10 W2 137(2) 6_545 .
W2 O11 W1 139.5(17) . .
W3 O12 W1 141.2(17) . .
W2 O13 W3 137.7(19) . .
C12 N3 C12 115(5) . 6
C1 N1 C5 120.0 . .
C1 N1 Cu1 119.9(9) . .
C5 N1 Cu1 120.1(9) . .
N1 C1 C2 120.0 . .
N1 C1 H1A 120.0 . .
C2 C1 H1A 120.0 . .
C3 C2 C1 120.0 . .
C3 C2 H2A 120.0 . .
C1 C2 H2A 120.0 . .
C2 C3 C4 120.0 . .
C2 C3 C3 120(2) . 7_336
C4 C3 C3 120(2) . 7_336
C3 C4 C5 120.0 . .
C3 C4 H4A 120.0 . .
C5 C4 H4A 120.0 . .
C4 C5 N1 120.0 . .
C4 C5 H5A 120.0 . .
N1 C5 H5A 120.0 . .
C7 C6 N2 120.0 . .
C7 C6 H6A 120.0 . .
N2 C6 H6A 120.0 . .
C6 C7 C8 120.0 . .
C6 C7 H7A 120.0 . .
C8 C7 H7A 120.0 . .
C9 C8 C7 120.0 . .
C9 C8 H8A 120.0 . .
C7 C8 H8A 120.0 . .
C8 C9 C10 120.0 . .
C8 C9 C11 126.7(17) . .
C10 C9 C11 113.3(17) . .
C10 C10 N2 116.7 6_535 .
C10 C10 C9 123.1 6_535 .
N2 C10 C9 120.0 . .
C14 C13 C12 122(5) . .
C14 C13 H13A 118.9 . .
C12 C13 H13A 118.9 . .
C13 C14 C13 116(5) 6 .
C13 C14 C14 122(3) 6 5_456
C13 C14 C14 122(3) . 5_456
N3 C12 C13 122(5) . .
N3 C12 H12A 118.9 . .
C13 C12 H12A 118.9 . .
C11 C11 C9 123.2(14) 6_535 .
C11 C11 H11A 118.4 6_535 .
C9 C11 H11A 118.4 . .
C10 N2 C6 120.0 . .
C10 N2 Cu1 113.2(8) . .
C6 N2 Cu1 126.8(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O6 1.68(2) .
W1 O4 1.879(19) .
W1 O12 1.90(3) .
W1 O11 1.90(3) .
W1 O9 1.92(3) .
W1 O1 2.45(3) .
W1 O3 2.54(3) .
W2 O14 1.77(3) .
W2 O13 1.89(3) .
W2 O11 1.90(2) .
W2 O8 1.92(2) .
W2 O10 1.927(13) .
W2 O2 2.45(3) .
W2 O3 2.51(3) .
W3 O7 1.66(3) .
W3 O12 1.87(3) 2_457
W3 O12 1.87(3) .
W3 O13 1.92(3) 2_457
W3 O13 1.92(3) .
W3 O3 2.45(3) 2_457
W3 O3 2.45(3) .
W4 O5 1.72(2) .
W4 O8 1.85(2) .
W4 O8 1.85(2) 6_545
W4 O9 1.89(2) 5_447
W4 O9 1.89(2) 2_457
W4 O1 2.46(5) 5_447
W4 O2 2.50(5) .
Cu1 N2 2.026(11) .
Cu1 N2 2.026(19) 6_535
Cu1 N1 2.029(11) 6_535
Cu1 N1 2.029(11) .
Cu1 OW1 2.29(3) .
Cu1 O5 2.63(3) 3_445
P1 O3 1.48(3) 5_447
P1 O3 1.48(3) .
P1 O3 1.48(3) 6_545
P1 O3 1.48(3) 2_457
P1 O2 1.54(5) .
P1 O2 1.54(5) 5_447
P1 O1 1.56(4) 5_447
P1 O1 1.56(4) .
O1 O2 1.80(7) 5_447
O1 O3 1.82(5) .
O1 O3 1.82(5) 6_545
O1 W1 2.45(3) 6_545
O1 W4 2.46(5) 5_447
O2 O3 1.73(5) 6_545
O2 O3 1.73(5) .
O2 O1 1.80(7) 5_447
O2 W2 2.45(3) 6_545
O3 O3 1.60(6) 2_457
O4 W1 1.879(18) 6_545
O5 Cu1 2.63(3) 3
O9 W4 1.89(2) 5_447
O10 W2 1.927(13) 6_545
N3 C12 1.38(5) .
N3 C12 1.38(5) 6
N1 C1 1.3900 .
N1 C5 1.3900 .
C1 C2 1.3900 .
C1 H1A 0.9300 .
C2 C3 1.3900 .
C2 H2A 0.9300 .
C3 C4 1.3900 .
C3 C3 1.52(2) 7_336
C4 C5 1.3900 .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C7 1.3900 .
C6 N2 1.3900 .
C6 H6A 0.9300 .
C7 C8 1.3900 .
C7 H7A 0.9300 .
C8 C9 1.3900 .
C8 H8A 0.9300 .
C9 C10 1.3900 .
C9 C11 1.48(3) .
C10 C10 1.36(2) 6_535
C10 N2 1.3900 .
C13 C14 1.35(4) .
C13 C12 1.39(6) .
C13 H13A 0.9300 .
C14 C13 1.35(4) 6
C14 C14 1.50(8) 5_456
C12 H12A 0.9300 .
C11 C11 1.25(7) 6_535
C11 H11A 0.9300 .
