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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/71/1517129.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_1517129
loop_
_publ_author_name
'Shu-Yun Shi'
'Zhan-Lin Xu'
'Hong-Hui Teng'
'Ling-Zi Zhao'
'Xiao-Bing Cui'
'Ji-Qing Xu'
_publ_section_title
;
 Two new compounds constructed from polyoxoanions, metal ions and organic
 ligands
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              123
_journal_page_last               127
_journal_volume                  402
_journal_year                    2013
_chemical_formula_sum            'C40 H44 Cu4 N8 O46 Si W12'
_chemical_formula_weight         3861.28
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 100.155(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.795(3)
_cell_length_b                   23.522(4)
_cell_length_c                   21.226(4)
_cell_measurement_temperature    293(2)
_cell_volume                     7763(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0416
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            28539
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    18.880
_exptl_absorpt_correction_T_max  0.0674
_exptl_absorpt_correction_T_min  0.0430
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    3.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6904
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.31
_refine_diff_density_max         6.893
_refine_diff_density_min         -2.832
_refine_diff_density_rms         0.376
_refine_ls_extinction_coef       0.000028(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         9862
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0363P)²+709.7496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1279
_reflns_number_gt                8055
_reflns_number_total             9862
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-402-123-127-1.cif
_cod_data_source_block           k
_cod_original_cell_volume        7762(2)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               1517129
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
Si1 Si 1.8189(2) 0.0000 0.74650(16) 0.0019(5) Uani 1 2 d SU
W1 W 2.01095(3) 0.077601(18) 0.78066(2) 0.01310(10) Uani 1 1 d .
W2 W 1.95232(4) 0.0000 0.62894(3) 0.01806(14) Uani 1 2 d S
W3 W 1.82314(3) 0.14837(2) 0.75121(2) 0.02109(12) Uani 1 1 d .
W4 W 1.76510(3) 0.07177(2) 0.59945(2) 0.02064(12) Uani 1 1 d .
W5 W 1.67596(5) 0.0000 0.85570(4) 0.02421(16) Uani 1 2 d S
W6 W 1.87955(3) 0.07813(2) 0.89086(2) 0.02095(12) Uani 1 1 d .
W7 W 1.61936(3) 0.07153(2) 0.71599(3) 0.02438(13) Uani 1 1 d .
O1 O 1.8139(5) 0.1224(3) 0.6662(4) 0.0173(16) Uani 1 1 d .
O2 O 1.8679(4) 0.0562(3) 0.7801(3) 0.0037(7) Uani 1 1 d U
O3 O 1.8793(5) 0.0570(3) 0.5824(4) 0.0179(16) Uani 1 1 d .
O4 O 1.9899(5) 0.0558(3) 0.6949(4) 0.0166(16) Uani 1 1 d .
O5 O 1.9490(5) 0.1469(3) 0.7578(4) 0.0156(16) Uani 1 1 d .
O6 O 1.9913(5) 0.0895(3) 0.8678(4) 0.0155(15) Uani 1 1 d .
O7 O 2.1134(6) 0.1044(4) 0.7893(4) 0.0208(18) Uani 1 1 d .
O8 O 1.9080(8) 0.0000 0.9059(6) 0.018(2) Uani 1 2 d S
O9 O 1.7107(5) 0.1236(4) 0.7487(4) 0.0200(17) Uani 1 1 d .
O10 O 1.7639(6) 0.0555(4) 0.8796(4) 0.0221(18) Uani 1 1 d .
O11 O 1.6090(6) 0.0568(4) 0.8034(4) 0.0265(19) Uani 1 1 d .
O12 O 1.5632(9) 0.0000 0.6936(6) 0.025(3) Uani 1 2 d S
O13 O 1.6695(6) 0.0676(4) 0.6412(4) 0.0214(18) Uani 1 1 d .
O14 O 1.7204(6) 0.0000 0.7559(4) 0.0031(7) Uani 1 2 d SU
O15 O 1.8980(6) 0.1066(4) 0.9657(4) 0.026(2) Uani 1 1 d .
O16 O 1.8442(5) 0.1466(3) 0.8434(4) 0.0159(16) Uani 1 1 d .
O17 O 1.8136(5) 0.2204(3) 0.7423(4) 0.0172(16) Uani 1 1 d U
O18 O 1.7303(8) 0.0000 0.5579(5) 0.017(2) Uani 1 2 d S
O19 O 1.7299(6) 0.1166(4) 0.5374(4) 0.0253(19) Uani 1 1 d .
O20 O 1.6248(10) 0.0000 0.9199(8) 0.041(4) Uani 1 2 d S
O21 O 1.5351(6) 0.1168(4) 0.6954(5) 0.033(2) Uani 1 1 d .
O22 O 1.8231(6) 0.0000 0.6704(4) 0.0029(7) Uani 1 2 d SU
O23 O 2.0346(9) 0.0000 0.5866(6) 0.027(3) Uani 1 2 d S
O24 O 2.0307(7) 0.0000 0.8022(5) 0.014(2) Uani 1 2 d S
Cu1 Cu 2.18985(13) 0.17980(8) 0.77684(7) 0.0343(4) Uani 1 1 d .
Cu2 Cu 2.02249(12) 0.24789(8) 0.26426(7) 0.0332(4) Uani 1 1 d .
C1 C 2.3323(6) 0.2034(4) 0.9890(3) 0.021(3) Uani 1 1 d G
C2 C 2.2771(7) 0.1573(3) 0.9752(3) 0.033(4) Uani 1 1 d G
H2A H 2.2693 0.1321 1.0075 0.040 Uiso 1 1 calc R
C3 C 2.2336(6) 0.1487(3) 0.9131(3) 0.034(4) Uani 1 1 d G
H3A H 2.1966 0.1179 0.9038 0.041 Uiso 1 1 calc R
N1 N 2.2453(6) 0.1863(4) 0.8648(3) 0.032(3) Uani 1 1 d G
C4 C 2.3005(7) 0.2324(4) 0.8786(3) 0.044(5) Uani 1 1 d G
H4A H 2.3083 0.2575 0.8463 0.053 Uiso 1 1 calc R
C5 C 2.3440(7) 0.2409(4) 0.9407(3) 0.042(4) Uani 1 1 d G
H5A H 2.3809 0.2718 0.9500 0.050 Uiso 1 1 calc R
C6 C 1.9740(6) 0.2264(3) 0.1305(3) 0.026(3) Uani 1 1 d G
H6A H 2.0080 0.1941 0.1389 0.031 Uiso 1 1 calc R
C7 C 1.9304(6) 0.2369(3) 0.0688(3) 0.026(3) Uani 1 1 d G
H7A H 1.9352 0.2116 0.0359 0.031 Uiso 1 1 calc R
C8 C 1.8796(6) 0.2853(4) 0.0562(3) 0.023(3) Uani 1 1 d G
C9 C 1.8725(6) 0.3231(3) 0.1053(4) 0.047(4) Uani 1 1 d GU
H9A H 1.8385 0.3555 0.0968 0.056 Uiso 1 1 calc R
C10 C 1.9161(7) 0.3126(4) 0.1669(4) 0.053(4) Uani 1 1 d GU
H10A H 1.9114 0.3380 0.1998 0.063 Uiso 1 1 calc R
N4 N 1.9669(6) 0.2643(4) 0.1796(3) 0.028(2) Uani 1 1 d G
N2 N 2.1663(5) 0.1931(3) 0.6866(2) 0.028(3) Uani 1 1 d G
C11 C 2.1672(6) 0.1479(3) 0.6445(3) 0.034(3) Uani 1 1 d G
H11A H 2.1772 0.1112 0.6602 0.041 Uiso 1 1 calc R
C12 C 2.1531(7) 0.1577(3) 0.5789(3) 0.035(3) Uani 1 1 d G
H12A H 2.1537 0.1274 0.5507 0.042 Uiso 1 1 calc R
C13 C 2.1382(6) 0.2126(3) 0.5554(2) 0.019(2) Uani 1 1 d G
C19 C 2.1373(6) 0.2578(3) 0.5975(3) 0.024(3) Uani 1 1 d G
H19A H 2.1273 0.2945 0.5817 0.028 Uiso 1 1 calc R
C20 C 2.1513(6) 0.2480(3) 0.6631(3) 0.027(3) Uani 1 1 d G
H20A H 2.1507 0.2783 0.6912 0.032 Uiso 1 1 calc R
C14 C 2.1139(5) 0.2225(3) 0.4843(2) 0.020(2) Uani 1 1 d G
C15 C 2.0746(5) 0.1788(3) 0.4458(3) 0.020(2) Uani 1 1 d G
H15A H 2.0656 0.1437 0.4638 0.024 Uiso 1 1 calc R
C16 C 2.0488(5) 0.1874(3) 0.3805(3) 0.023(3) Uani 1 1 d G
H16A H 2.0225 0.1582 0.3547 0.028 Uiso 1 1 calc R
N3 N 2.0622(5) 0.2398(3) 0.3536(2) 0.021(2) Uani 1 1 d G
C17 C 2.1015(6) 0.2836(3) 0.3921(3) 0.031(3) Uani 1 1 d G
H17A H 2.1105 0.3186 0.3741 0.037 Uiso 1 1 calc R
C18 C 2.1274(6) 0.2749(3) 0.4574(3) 0.029(3) Uani 1 1 d G
H18A H 2.1537 0.3042 0.4832 0.035 Uiso 1 1 calc R
OW1 O 2.113(2) 0.0000 0.9432(10) 0.094(9) Uani 1 2 d S
OW2 O 2.287(3) 0.0000 0.949(2) 0.164(14) Uani 1 2 d SU
OW3 O 2.206(3) 0.0000 0.566(2) 0.169(15) Uani 1 2 d SU
OW4 O 1.385(6) 0.075(4) 0.827(4) 0.24(3) Uani 0.50 1 d PU
OW5 O 2.266(5) 0.0000 0.797(4) 0.28(2) Uani 1 2 d SU
OW6 O 2.016(4) 0.417(2) 0.480(3) 0.156(19) Uani 0.50 1 d PU
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'
Si Si 0.0817 0.0704 '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
O14 Si1 O22 109.4(5) . .
O14 Si1 O2 110.0(3) . .
O22 Si1 O2 109.5(3) . .
O14 Si1 O2 110.0(3) . 6
O22 Si1 O2 109.5(3) . 6
O2 Si1 O2 108.3(5) . 6
O7 W1 O4 102.0(4) . .
O7 W1 O24 102.5(4) . .
O4 W1 O24 87.9(4) . .
O7 W1 O5 98.3(4) . .
O4 W1 O5 89.5(3) . .
O24 W1 O5 159.2(4) . .
O7 W1 O6 98.6(4) . .
O4 W1 O6 159.4(4) . .
O24 W1 O6 87.5(4) . .
O5 W1 O6 87.6(3) . .
O7 W1 O2 169.3(3) . .
O4 W1 O2 85.9(3) . .
O24 W1 O2 84.9(4) . .
O5 W1 O2 74.3(3) . .
O6 W1 O2 73.6(3) . .
O23 W2 O3 99.9(4) . 6
O23 W2 O3 99.9(4) . .
O3 W2 O3 88.4(5) 6 .
O23 W2 O4 102.5(4) . .
O3 W2 O4 157.6(4) 6 .
O3 W2 O4 88.8(3) . .
O23 W2 O4 102.5(4) . 6
O3 W2 O4 88.8(3) 6 6
O3 W2 O4 157.6(4) . 6
O4 W2 O4 85.5(4) . 6
O23 W2 O22 170.3(5) . .
O3 W2 O22 73.3(3) 6 .
O3 W2 O22 73.3(3) . .
O4 W2 O22 84.6(3) . .
O4 W2 O22 84.6(3) 6 .
O17 W3 O9 104.0(4) . .
O17 W3 O1 103.0(4) . .
O9 W3 O1 87.6(3) . .
O17 W3 O16 97.5(3) . .
O9 W3 O16 90.9(4) . .
O1 W3 O16 159.2(3) . .
O17 W3 O5 95.4(3) . .
O9 W3 O5 160.6(3) . .
O1 W3 O5 88.2(3) . .
O16 W3 O5 86.4(3) . .
O17 W3 O2 165.7(3) . .
O9 W3 O2 87.7(3) . .
O1 W3 O2 85.3(3) . .
O16 W3 O2 73.9(3) . .
O5 W3 O2 73.1(3) . .
O19 W4 O13 102.5(4) . .
O19 W4 O1 102.9(4) . .
O13 W4 O1 86.3(4) . .
O19 W4 O3 98.9(4) . .
O13 W4 O3 158.6(3) . .
O1 W4 O3 89.0(3) . .
O19 W4 O18 99.2(4) . .
O13 W4 O18 88.9(4) . .
O1 W4 O18 158.0(4) . .
O3 W4 O18 87.6(4) . .
O19 W4 O22 169.3(4) . .
O13 W4 O22 85.1(3) . .
O1 W4 O22 84.9(3) . .
O3 W4 O22 73.7(3) . .
O18 W4 O22 73.3(3) . .
O20 W5 O10 102.3(5) . .
O20 W5 O10 102.3(5) . 6
O10 W5 O10 86.4(5) . 6
O20 W5 O11 99.9(5) . 6
O10 W5 O11 157.8(4) . 6
O10 W5 O11 88.7(4) 6 6
O20 W5 O11 99.9(5) . .
O10 W5 O11 88.7(4) . .
O10 W5 O11 157.8(4) 6 .
O11 W5 O11 87.7(6) 6 .
O20 W5 O14 169.3(6) . .
O10 W5 O14 85.5(3) . .
O10 W5 O14 85.5(3) 6 .
O11 W5 O14 72.6(3) 6 .
O11 W5 O14 72.6(3) . .
O15 W6 O10 103.5(4) . .
O15 W6 O8 103.1(5) . .
O10 W6 O8 86.8(4) . .
O15 W6 O16 98.4(4) . .
O10 W6 O16 89.1(4) . .
O8 W6 O16 158.5(4) . .
O15 W6 O6 99.7(4) . .
O10 W6 O6 156.8(3) . .
O8 W6 O6 88.7(4) . .
O16 W6 O6 86.9(3) . .
O15 W6 O2 167.9(4) . .
O10 W6 O2 84.8(3) . .
O8 W6 O2 86.1(4) . .
O16 W6 O2 72.6(3) . .
O6 W6 O2 72.2(3) . .
O21 W7 O13 103.8(4) . .
O21 W7 O11 99.5(5) . .
O13 W7 O11 156.6(4) . .
O21 W7 O12 100.2(5) . .
O13 W7 O12 89.6(5) . .
O11 W7 O12 88.1(5) . .
O21 W7 O9 101.4(4) . .
O13 W7 O9 86.3(4) . .
O11 W7 O9 87.2(4) . .
O12 W7 O9 158.3(4) . .
O21 W7 O14 169.6(4) . .
O13 W7 O14 84.8(3) . .
O11 W7 O14 72.2(3) . .
O12 W7 O14 73.7(4) . .
O9 W7 O14 84.7(3) . .
W3 O1 W4 150.1(5) . .
Si1 O2 W1 124.6(4) . .
Si1 O2 W3 122.7(3) . .
W1 O2 W3 92.9(2) . .
Si1 O2 W6 123.7(4) . .
W1 O2 W6 92.4(2) . .
W3 O2 W6 91.4(2) . .
W2 O3 W4 121.5(4) . .
W1 O4 W2 150.7(4) . .
W1 O5 W3 119.7(4) . .
W6 O6 W1 121.7(4) . .
W1 O7 Cu1 144.6(5) . .
W6 O8 W6 149.4(7) 6 .
W3 O9 W7 149.3(5) . .
W6 O10 W5 150.9(5) . .
W7 O11 W5 123.3(5) . .
W7 O12 W7 122.1(7) . 6
W4 O13 W7 151.5(5) . .
Si1 O14 W5 124.3(5) . .
Si1 O14 W7 124.2(3) . 6
W5 O14 W7 91.9(3) . 6
Si1 O14 W7 124.2(3) . .
W5 O14 W7 91.9(3) . .
W7 O14 W7 90.5(3) 6 .
W3 O16 W6 122.1(4) . .
W4 O18 W4 121.1(6) . 6
Si1 O22 W4 124.0(3) . 6
Si1 O22 W4 124.0(3) . .
W4 O22 W4 92.4(3) 6 .
Si1 O22 W2 124.0(5) . .
W4 O22 W2 91.5(3) 6 .
W4 O22 W2 91.5(3) . .
W1 O24 W1 149.0(6) 6 .
N2 Cu1 N1 159.1(4) . .
N2 Cu1 O7 103.9(3) . .
N1 Cu1 O7 96.5(3) . .
N4 Cu2 N3 169.5(4) . .
C2 C1 C5 120.0 . .
C2 C1 C8 122(3) . 8_556
C5 C1 C8 118(3) . 8_556
C1 C2 C3 120.0 . .
C2 C3 N1 120.0 . .
C4 N1 C3 120.0 . .
C4 N1 Cu1 115.4(4) . .
C3 N1 Cu1 124.6(4) . .
C5 C4 N1 120.0 . .
C4 C5 C1 120.0 . .
C7 C6 N4 120.0 . .
C6 C7 C8 120.0 . .
C9 C8 C7 120.0 . .
C9 C8 C1 120.1(6) . 8_454
C7 C8 C1 119.9(6) . 8_454
C10 C9 C8 120.0 . .
C9 C10 N4 120.0 . .
C10 N4 C6 120.0 . .
C10 N4 Cu2 120.3(4) . .
C6 N4 Cu2 119.7(4) . .
C11 N2 C20 120.0 . .
C11 N2 Cu1 119.8(4) . .
C20 N2 Cu1 120.2(4) . .
C12 C11 N2 120.0 . .
C11 C12 C13 120.0 . .
C19 C13 C12 120.0 . .
C19 C13 C14 119.7(6) . .
C12 C13 C14 120.0(5) . .
C20 C19 C13 120.0 . .
C19 C20 N2 120.0 . .
C15 C14 C18 120.0 . .
C15 C14 C13 118.8(5) . .
C18 C14 C13 121.2(5) . .
C14 C15 C16 120.0 . .
C15 C16 N3 120.0 . .
C16 N3 C17 120.0 . .
C16 N3 Cu2 116.8(4) . .
C17 N3 Cu2 123.2(4) . .
C18 C17 N3 120.0 . .
C17 C18 C14 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O14 1.604(10) .
Si1 O22 1.627(9) .
Si1 O2 1.631(7) .
Si1 O2 1.631(7) 6
W1 O7 1.715(8) .
W1 O4 1.864(8) .
W1 O24 1.894(3) .
W1 O5 1.919(8) .
W1 O6 1.949(8) .
W1 O2 2.312(6) .
W2 O23 1.705(12) .
W2 O3 1.925(8) 6
W2 O3 1.925(8) .
W2 O4 1.934(7) .
W2 O4 1.934(7) 6
W2 O22 2.362(9) .
W3 O17 1.709(8) .
W3 O9 1.862(9) .
W3 O1 1.885(8) .
W3 O16 1.927(7) .
W3 O5 1.969(8) .
W3 O2 2.329(6) .
W4 O19 1.703(8) .
W4 O13 1.882(9) .
W4 O1 1.907(8) .
W4 O3 1.933(8) .
W4 O18 1.939(6) .
W4 O22 2.339(6) .
W5 O20 1.702(15) .
W5 O10 1.909(9) .
W5 O10 1.909(9) 6
W5 O11 1.930(9) 6
W5 O11 1.930(9) .
W5 O14 2.346(9) .
W6 O15 1.701(8) .
W6 O10 1.878(9) .
W6 O8 1.905(3) .
W6 O16 1.928(8) .
W6 O6 1.932(8) .
W6 O2 2.383(6) .
W7 O21 1.699(9) .
W7 O13 1.898(9) .
W7 O11 1.921(9) .
W7 O12 1.922(6) .
W7 O9 1.925(9) .
W7 O14 2.370(6) .
O7 Cu1 2.189(8) .
O8 W6 1.905(3) 6
O12 W7 1.922(6) 6
O14 W7 2.370(6) 6
O18 W4 1.939(5) 6
O22 W4 2.339(6) 6
O24 W1 1.894(3) 6
Cu1 N2 1.912(5) .
Cu1 N1 1.923(5) .
Cu2 N4 1.896(6) .
Cu2 N3 1.899(5) .
C1 C2 1.3900 .
C1 C5 1.3900 .
C1 C8 1.512(19) 8_556
C2 C3 1.3900 .
C3 N1 1.3900 .
N1 C4 1.3900 .
C4 C5 1.3900 .
C6 C7 1.3900 .
C6 N4 1.3900 .
C7 C8 1.3900 .
C8 C9 1.3900 .
C8 C1 1.512(7) 8_454
C9 C10 1.3900 .
C10 N4 1.3900 .
N2 C11 1.3900 .
N2 C20 1.3900 .
C11 C12 1.3900 .
C12 C13 1.3900 .
C13 C19 1.3900 .
C13 C14 1.507(7) .
C19 C20 1.3900 .
C14 C15 1.3900 .
C14 C18 1.3900 .
C15 C16 1.3900 .
C16 N3 1.3900 .
N3 C17 1.3900 .
C17 C18 1.3900 .
OW6 OW6 1.07(10) 2_956
