#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:36:42 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179486 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/83/4338334.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_4338334
loop_
_publ_author_name
'Chi, Ying-Nan'
'Shen, Pan-Pan'
'Cui, Feng-Yun'
'Lin, Zheng-Guo'
'Chen, Shi-Lu'
'Hu, Chang-Wen'
_publ_section_title
;
 Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of
 Isopolyoxotungstates.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5029
_journal_page_last               5036
_journal_paper_doi               10.1021/ic500062j
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C40 H28 Cu2 N8 O45 W12'
_chemical_formula_weight         3673.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.1410(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.7827(12)
_cell_length_b                   10.1372(5)
_cell_length_c                   25.3918(12)
_cell_measurement_temperature    296(2)
_cell_volume                     6230.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_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  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18009
_diffrn_reflns_theta_full        27.66
_diffrn_reflns_theta_max         27.66
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    22.833
_exptl_crystal_density_diffrn    3.917
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6520
_refine_diff_density_max         2.626
_refine_diff_density_min         -3.734
_refine_diff_density_rms         0.656
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         7055
_refine_ls_number_restraints     1002
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0790P)²+21.8646P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.1113
_reflns_number_gt                6378
_reflns_number_total             7055
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500062j_si_002.cif
_cod_data_source_block           compound_2
_cod_depositor_comments
'Adding full bibliography for 4338332--4338336.cif.'
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4338334
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
C1 C 0.23748(19) 0.6373(5) 0.4391(2) 0.0138(11) Uani 1 1 d U
H1 H 0.2140 0.6760 0.4063 0.017 Uiso 1 1 calc R
C2 C 0.2924(2) 0.6774(5) 0.4601(2) 0.0163(12) Uani 1 1 d U
H2 H 0.3055 0.7427 0.4422 0.020 Uiso 1 1 calc R
C3 C 0.32722(19) 0.6172(5) 0.5086(2) 0.0162(12) Uani 1 1 d U
H3 H 0.3641 0.6423 0.5236 0.019 Uiso 1 1 calc R
C4 C 0.3064(2) 0.5174(5) 0.5351(2) 0.0141(11) Uani 1 1 d U
H4 H 0.3290 0.4761 0.5676 0.017 Uiso 1 1 calc R
C5 C 0.25233(19) 0.4846(5) 0.5111(2) 0.0125(10) Uani 1 1 d U
C6 C 0.22249(18) 0.3896(5) 0.5367(2) 0.0114(10) Uani 1 1 d U
C7 C 0.2469(2) 0.3050(5) 0.5811(2) 0.0147(11) Uani 1 1 d U
H7 H 0.2851 0.3016 0.5982 0.018 Uiso 1 1 calc R
C8 C 0.21248(19) 0.2246(5) 0.5995(2) 0.0108(10) Uani 1 1 d U
C9 C 0.2349(2) 0.1285(5) 0.6450(2) 0.0159(11) Uani 1 1 d U
C10 C 0.2873(2) 0.1355(5) 0.6852(2) 0.0160(11) Uani 1 1 d U
H10 H 0.3092 0.2096 0.6871 0.019 Uiso 1 1 calc R
C11 C 0.3070(2) 0.0320(5) 0.7224(2) 0.0138(11) Uani 1 1 d U
H11 H 0.3423 0.0364 0.7493 0.017 Uiso 1 1 calc R
C12 C 0.2748(2) -0.0762(5) 0.7197(2) 0.0180(12) Uani 1 1 d U
H12 H 0.2879 -0.1468 0.7440 0.022 Uiso 1 1 calc R
C13 C 0.2218(2) -0.0788(5) 0.6798(2) 0.0186(12) Uani 1 1 d U
H13 H 0.1989 -0.1507 0.6783 0.022 Uiso 1 1 calc R
C14 C 0.1541(2) 0.2400(5) 0.5744(2) 0.0145(11) Uani 1 1 d U
H14 H 0.1305 0.1947 0.5887 0.017 Uiso 1 1 calc R
C15 C 0.13293(18) 0.3220(5) 0.52891(19) 0.0110(9) Uani 1 1 d U
C16 C 0.07533(18) 0.3487(5) 0.49581(19) 0.0107(10) Uani 1 1 d U
C17 C 0.0312(2) 0.2886(5) 0.5065(2) 0.0131(10) Uani 1 1 d U
H17 H 0.0372 0.2246 0.5342 0.016 Uiso 1 1 calc R
C18 C -0.02179(19) 0.3274(5) 0.4746(2) 0.0134(10) Uani 1 1 d U
H18 H -0.0520 0.2877 0.4801 0.016 Uiso 1 1 calc R
C19 C -0.0297(2) 0.4230(5) 0.4352(2) 0.0163(12) Uani 1 1 d U
H19 H -0.0651 0.4520 0.4146 0.020 Uiso 1 1 calc R
C20 C 0.0155(2) 0.4762(5) 0.4265(2) 0.0138(11) Uani 1 1 d U
H20 H 0.0098 0.5402 0.3988 0.017 Uiso 1 1 calc R
Cu1 Cu 0.13707(2) 0.49661(6) 0.44345(2) 0.00953(13) Uani 1 1 d .
N1 N 0.21729(16) 0.5447(4) 0.46457(17) 0.0108(9) Uani 1 1 d U
N2 N 0.06710(15) 0.4414(4) 0.45537(17) 0.0103(9) Uani 1 1 d U
N3 N 0.16780(15) 0.3907(4) 0.50981(16) 0.0111(9) Uani 1 1 d U
N4 N 0.20362(17) 0.0198(4) 0.64389(18) 0.0141(9) Uani 1 1 d U
O1 O 0.06592(14) 0.2691(3) 0.26539(15) 0.0141(9) Uani 1 1 d U
O2 O 0.01048(12) 0.0714(3) 0.30862(13) 0.0085(7) Uani 1 1 d U
O3 O 0.00923(12) 0.3087(3) 0.33453(14) 0.0102(8) Uani 1 1 d U
O4 O 0.12373(13) 0.3400(3) 0.37842(15) 0.0132(8) Uani 1 1 d U
O5 O -0.03650(13) 0.1206(3) 0.37906(14) 0.0114(8) Uani 1 1 d U
O6 O -0.10526(14) 0.3202(4) 0.32277(15) 0.0150(9) Uani 1 1 d U
O7 O -0.03946(12) -0.1285(3) 0.35488(13) 0.0097(8) Uani 1 1 d U
O8 O -0.09058(13) -0.3709(3) 0.33826(15) 0.0152(9) Uani 1 1 d U
O9 O -0.14158(13) -0.1688(3) 0.26973(14) 0.0113(8) Uani 1 1 d U
O10 O -0.06262(12) -0.1269(3) 0.23255(13) 0.0089(7) Uani 1 1 d U
O11 O -0.21380(15) -0.0014(3) 0.19304(16) 0.0164(9) Uani 1 1 d U
O12 O -0.08876(13) -0.3657(3) 0.23108(14) 0.0113(8) Uani 1 1 d U
O13 O -0.00544(12) -0.3105(3) 0.18834(14) 0.0093(8) Uani 1 1 d U
O14 O -0.10864(12) -0.3820(3) 0.11581(13) 0.0102(8) Uani 1 1 d U
O15 O -0.03176(13) -0.0468(4) 0.03756(13) 0.0116(8) Uani 1 1 d U
O16 O -0.07388(12) 0.1308(3) 0.09319(14) 0.0100(8) Uani 1 1 d U
O17 O -0.12445(12) 0.0877(3) 0.16708(13) 0.0073(7) Uani 1 1 d U
O18 O -0.11059(13) 0.0779(3) 0.27327(14) 0.0127(8) Uani 1 1 d U
O19 O -0.15244(12) -0.1792(3) 0.15743(14) 0.0091(7) Uani 1 1 d U
O20 O -0.06777(12) -0.1305(3) 0.12266(13) 0.0108(8) Uani 1 1 d U
O21 O 0.68007(15) 0.9086(4) 0.12098(18) 0.0292(12) Uani 1 1 d .
O22 O 0.89352(16) 0.9503(4) 0.92844(17) 0.0254(11) Uani 1 1 d .
O23 O 0.0000 0.4767(10) 0.2500 0.063(3) Uani 1 2 d SU
W1 W 0.075042(7) 0.226548(18) 0.340607(8) 0.00769(4) Uani 1 1 d .
W2 W -0.145165(7) -0.043291(18) 0.208474(8) 0.00777(4) Uani 1 1 d .
W3 W -0.062188(7) 0.209685(19) 0.307627(8) 0.00792(4) Uani 1 1 d .
W4 W -0.022104(7) -0.009853(19) 0.105989(8) 0.00836(4) Uani 1 1 d .
W5 W -0.078364(7) -0.270968(18) 0.172274(8) 0.00839(4) Uani 1 1 d .
W6 W -0.072287(7) -0.253492(19) 0.299401(8) 0.00870(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'
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
N1 C1 C2 122.1(4) . .
N1 C1 H1 118.9 . .
C2 C1 H1 118.9 . .
C3 C2 C1 118.3(5) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C2 C3 C4 119.9(4) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C5 C4 C3 117.4(4) . .
C5 C4 H4 121.3 . .
C3 C4 H4 121.3 . .
C4 C5 N1 123.6(5) . .
C4 C5 C6 124.0(4) . .
N1 C5 C6 112.0(4) . .
N3 C6 C7 121.7(5) . .
N3 C6 C5 112.2(4) . .
C7 C6 C5 126.1(4) . .
C6 C7 C8 118.0(4) . .
C6 C7 H7 121.0 . .
C8 C7 H7 121.0 . .
C7 C8 C14 118.7(4) . .
C7 C8 C9 121.7(4) . .
C14 C8 C9 119.6(5) . .
N4 C9 C10 118.6(4) . .
N4 C9 C8 116.7(4) . .
C10 C9 C8 124.4(5) . .
C9 C10 C11 119.9(5) . .
C9 C10 H10 120.0 . .
C11 C10 H10 120.0 . .
C12 C11 C10 120.0(4) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C11 C12 C13 118.7(5) . .
C11 C12 H12 120.6 . .
C13 C12 H12 120.6 . .
N4 C13 C12 120.8(5) . .
N4 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C15 C14 C8 119.7(5) . .
C15 C14 H14 120.2 . .
C8 C14 H14 120.2 . .
N3 C15 C14 119.5(4) . .
N3 C15 C16 111.6(4) . .
C14 C15 C16 128.9(5) . .
N2 C16 C17 121.6(4) . .
N2 C16 C15 115.4(4) . .
C17 C16 C15 122.9(4) . .
C18 C17 C16 117.9(5) . .
C18 C17 H17 121.0 . .
C16 C17 H17 121.0 . .
C19 C18 C17 120.1(5) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C18 C19 C20 118.7(4) . .
C18 C19 H19 120.6 . .
C20 C19 H19 120.6 . .
N2 C20 C19 123.5(5) . .
N2 C20 H20 118.2 . .
C19 C20 H20 118.2 . .
O14 Cu1 N3 173.16(16) 2_565 .
O14 Cu1 N2 100.34(15) 2_565 .
N3 Cu1 N2 80.39(17) . .
O14 Cu1 N1 97.82(15) 2_565 .
N3 Cu1 N1 79.99(17) . .
N2 Cu1 N1 157.29(17) . .
O14 Cu1 O4 87.42(14) 2_565 .
N3 Cu1 O4 99.40(15) . .
N2 Cu1 O4 89.76(15) . .
N1 Cu1 O4 104.62(15) . .
C1 N1 C5 118.7(4) . .
C1 N1 Cu1 125.1(3) . .
C5 N1 Cu1 116.0(3) . .
C20 N2 C16 118.1(4) . .
C20 N2 Cu1 128.6(4) . .
C16 N2 Cu1 113.2(3) . .
C6 N3 C15 121.7(4) . .
C6 N3 Cu1 119.7(4) . .
C15 N3 Cu1 118.5(3) . .
C13 N4 C9 122.0(4) . .
W1 O1 W3 148.3(2) . 2
W1 O2 W4 94.15(11) . 2
W1 O2 W3 94.35(12) . .
W4 O2 W3 94.05(13) 2 .
W1 O3 W3 120.86(17) . .
W1 O4 Cu1 141.4(2) . .
W3 O5 W4 119.63(19) . 2
W6 O7 W4 150.9(2) . 2
W6 O9 W2 112.70(18) . .
W5 O10 W2 98.32(11) . .
W5 O10 W6 96.55(13) . .
W2 O10 W6 94.82(13) . .
W5 O12 W6 110.80(17) . .
W5 O13 W6 150.4(2) . 2
W5 O14 Cu1 177.0(2) . 2_545
W4 O16 W1 116.34(15) . 2
W2 O17 W1 152.25(16) . 2
W3 O18 W2 151.4(2) . .
W2 O19 W5 110.27(14) . .
W4 O20 W5 149.39(16) . .
O4 W1 O3 102.50(15) . .
O4 W1 O1 102.89(16) . .
O3 W1 O1 91.24(16) . .
O4 W1 O16 94.37(15) . 2
O3 W1 O16 90.59(15) . 2
O1 W1 O16 161.81(14) . 2
O4 W1 O17 99.28(14) . 2
O3 W1 O17 158.15(13) . 2
O1 W1 O17 85.53(14) . 2
O16 W1 O17 86.06(14) 2 2
O4 W1 O2 168.35(16) . .
O3 W1 O2 74.87(13) . .
O1 W1 O2 88.58(13) . .
O16 W1 O2 74.44(12) 2 .
O17 W1 O2 83.45(12) 2 .
O11 W2 O19 100.05(15) . .
O11 W2 O17 99.53(16) . .
O19 W2 O17 96.52(15) . .
O11 W2 O9 95.90(16) . .
O19 W2 O9 92.15(15) . .
O17 W2 O9 160.68(12) . .
O11 W2 O18 99.62(16) . .
O19 W2 O18 159.96(13) . .
O17 W2 O18 83.93(14) . .
O9 W2 O18 82.08(14) . .
O11 W2 O10 170.49(15) . .
O19 W2 O10 76.15(12) . .
O17 W2 O10 89.63(13) . .
O9 W2 O10 75.70(13) . .
O18 W2 O10 83.82(13) . .
O11 W2 W5 136.28(12) . .
O19 W2 W5 36.74(9) . .
O17 W2 W5 93.67(10) . .
O9 W2 W5 83.01(11) . .
O18 W2 W5 123.23(10) . .
O10 W2 W5 39.41(8) . .
O11 W2 W6 128.52(13) . .
O19 W2 W6 84.46(9) . .
O17 W2 W6 131.17(9) . .
O9 W2 W6 32.69(9) . .
O18 W2 W6 80.35(9) . .
O10 W2 W6 43.02(9) . .
W5 W2 W6 59.376(7) . .
O6 W3 O18 101.31(16) . .
O6 W3 O1 101.02(16) . 2
O18 W3 O1 88.24(15) . 2
O6 W3 O5 97.73(16) . .
O18 W3 O5 93.64(14) . .
O1 W3 O5 160.41(15) 2 .
O6 W3 O3 100.77(15) . .
O18 W3 O3 157.72(15) . .
O1 W3 O3 84.64(14) 2 .
O5 W3 O3 86.34(14) . .
O6 W3 O2 166.28(13) . .
O18 W3 O2 88.84(13) . .
O1 W3 O2 88.39(13) 2 .
O5 W3 O2 72.17(13) . .
O3 W3 O2 69.92(12) . .
O15 W4 O20 101.93(16) . .
O15 W4 O16 98.20(15) . .
O20 W4 O16 94.02(15) . .
O15 W4 O5 100.31(16) . 2
O20 W4 O5 156.97(14) . 2
O16 W4 O5 88.64(14) . 2
O15 W4 O7 100.89(15) . 2
O20 W4 O7 86.93(14) . 2
O16 W4 O7 160.26(14) . 2
O5 W4 O7 83.09(13) 2 2
O15 W4 O2 171.11(15) . 2
O20 W4 O2 84.54(14) . 2
O16 W4 O2 75.06(13) . 2
O5 W4 O2 74.05(14) 2 2
O7 W4 O2 85.42(12) 2 2
O14 W5 O13 100.01(15) . .
O14 W5 O12 100.05(15) . .
O13 W5 O12 97.39(15) . .
O14 W5 O20 93.49(14) . .
O13 W5 O20 86.73(14) . .
O12 W5 O20 164.89(15) . .
O14 W5 O19 90.95(13) . .
O13 W5 O19 165.49(14) . .
O12 W5 O19 89.96(14) . .
O20 W5 O19 83.10(14) . .
O14 W5 O10 166.18(13) . .
O13 W5 O10 93.75(13) . .
O12 W5 O10 79.40(14) . .
O20 W5 O10 85.84(14) . .
O19 W5 O10 75.25(12) . .
O14 W5 W6 135.04(12) . .
O13 W5 W6 95.64(11) . .
O12 W5 W6 35.86(10) . .
O20 W5 W6 129.45(10) . .
O19 W5 W6 82.99(10) . .
O10 W5 W6 43.61(10) . .
O14 W5 W2 123.94(10) . .
O13 W5 W2 135.16(10) . .
O12 W5 W2 84.37(11) . .
O20 W5 W2 82.52(10) . .
O19 W5 W2 32.99(9) . .
O10 W5 W2 42.27(8) . .
W6 W5 W2 60.764(6) . .
O8 W6 O7 100.38(16) . .
O8 W6 O9 97.78(15) . .
O7 W6 O9 96.52(14) . .
O8 W6 O12 94.94(16) . .
O7 W6 O12 161.64(15) . .
O9 W6 O12 91.34(14) . .
O8 W6 O13 99.74(15) . 2
O7 W6 O13 84.78(14) . 2
O9 W6 O13 161.90(15) . 2
O12 W6 O13 82.69(13) . 2
O8 W6 O10 166.54(13) . .
O7 W6 O10 92.52(13) . .
O9 W6 O10 76.77(14) . .
O12 W6 O10 73.11(13) . .
O13 W6 O10 85.14(13) 2 .
O8 W6 W5 128.20(12) . .
O7 W6 W5 130.88(11) . .
O9 W6 W5 84.91(11) . .
O12 W6 W5 33.33(10) . .
O13 W6 W5 80.73(10) 2 .
O10 W6 W5 39.84(8) . .
O8 W6 W2 131.54(11) . .
O7 W6 W2 95.33(10) . .
O9 W6 W2 34.61(11) . .
O12 W6 W2 81.79(9) . .
O13 W6 W2 127.31(10) 2 .
O10 W6 W2 42.17(8) . .
W5 W6 W2 59.860(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.342(7) .
C1 C2 1.391(7) .
C1 H1 0.9300 .
C2 C3 1.390(7) .
C2 H2 0.9300 .
C3 C4 1.418(8) .
C3 H3 0.9300 .
C4 C5 1.357(7) .
C4 H4 0.9300 .
C5 N1 1.359(6) .
C5 C6 1.513(7) .
C6 N3 1.339(5) .
C6 C7 1.383(7) .
C7 C8 1.400(8) .
C7 H7 0.9300 .
C8 C14 1.427(6) .
C8 C9 1.469(7) .
C9 N4 1.361(7) .
C9 C10 1.385(6) .
C10 C11 1.387(7) .
C10 H10 0.9300 .
C11 C12 1.363(8) .
C11 H11 0.9300 .
C12 C13 1.393(7) .
C12 H12 0.9300 .
C13 N4 1.325(7) .
C13 H13 0.9300 .
C14 C15 1.374(7) .
C14 H14 0.9300 .
C15 N3 1.352(7) .
C15 C16 1.458(6) .
C16 N2 1.354(6) .
C16 C17 1.398(7) .
C17 C18 1.383(6) .
C17 H17 0.9300 .
C18 C19 1.357(7) .
C18 H18 0.9300 .
C19 C20 1.371(8) .
C19 H19 0.9300 .
C20 N2 1.326(6) .
C20 H20 0.9300 .
Cu1 O14 1.886(3) 2_565
Cu1 N3 1.924(4) .
Cu1 N2 2.009(4) .
Cu1 N1 2.010(4) .
Cu1 O4 2.230(4) .
O1 W1 1.892(4) .
O1 W3 1.920(4) 2
O2 W1 2.230(3) .
O2 W4 2.241(3) 2
O2 W3 2.333(3) .
O3 W1 1.849(3) .
O3 W3 2.000(3) .
O4 W1 1.729(3) .
O5 W3 1.928(3) .
O5 W4 1.944(3) 2
O6 W3 1.712(4) .
O7 W6 1.867(3) .
O7 W4 1.967(3) 2
O8 W6 1.713(4) .
O9 W6 1.889(3) .
O9 W2 1.987(3) .
O10 W5 2.052(3) .
O10 W2 2.174(3) .
O10 W6 2.209(3) .
O11 W2 1.728(4) .
O12 W5 1.871(4) .
O12 W6 1.994(3) .
O13 W5 1.826(3) .
O13 W6 2.004(3) 2
O14 W5 1.778(3) .
O14 Cu1 1.886(3) 2_545
O15 W4 1.710(3) .
O16 W4 1.903(3) .
O16 W1 1.950(4) 2
O17 W2 1.881(3) .
O17 W1 1.953(3) 2
O18 W3 1.831(3) .
O18 W2 2.000(3) .
O19 W2 1.856(3) .
O19 W5 2.040(3) .
O20 W4 1.845(3) .
O20 W5 1.982(4) .
W1 O16 1.950(4) 2
W1 O17 1.953(3) 2
W2 W5 3.1982(3) .
W2 W6 3.2271(3) .
W3 O1 1.920(4) 2
W4 O5 1.944(3) 2
W4 O7 1.967(3) 2
W4 O2 2.241(3) 2
W5 W6 3.1824(3) .
W6 O13 2.004(3) 2
