#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:45:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179490 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/87/4338741.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_4338741
loop_
_publ_author_name
'Han, Qiuxia'
'Sun, Xueping'
'Li, Jie'
'Ma, Pengtao'
'Niu, Jingyang'
_publ_section_title
;
 Novel Isopolyoxotungstate [H2W11O38](8-) Based Metal Organic Framework:
 As Lewis Acid Catalyst for Cyanosilylation of Aromatic Aldehydes.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6107
_journal_page_last               6112
_journal_paper_doi               10.1021/ic5004879
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C42 H35 Cu8 N9 O104 W22'
_chemical_formula_weight         6882.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 108.029(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   10.0082(14)
_cell_length_b                   21.721(3)
_cell_length_c                   14.825(2)
_cell_measurement_reflns_used    3265
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.487
_cell_measurement_theta_min      2.337
_cell_volume                     3064.5(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14120
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    22.016
_exptl_absorpt_correction_T_max  0.1266
_exptl_absorpt_correction_T_min  0.0962
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    3.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             3042
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.986
_refine_diff_density_min         -2.249
_refine_diff_density_rms         0.347
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         5522
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+6.9018P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1187
_reflns_number_gt                4208
_reflns_number_total             5522
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5004879_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 

 Adding full bibliography for 4338741.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               4338741
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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 0.56506(3) 0.7500 0.53570(2) 0.01952(9) Uani 1 2 d S
W2 W 0.74846(3) 0.7500 0.26070(2) 0.01965(9) Uani 1 2 d S
W3 W 0.33645(2) 0.669619(11) 0.362559(16) 0.01982(6) Uani 1 1 d .
W4 W 0.64251(2) 0.588569(11) 0.308093(16) 0.02075(6) Uani 1 1 d .
W5 W 0.85568(2) 0.663474(11) 0.488340(16) 0.02193(6) Uani 1 1 d .
W6 W 0.52643(2) 0.674695(11) 0.089480(16) 0.02310(7) Uani 1 1 d .
W7 W 0.27156(3) 0.7500 0.13572(2) 0.02471(10) Uani 1 2 d S
Cu1 Cu 0.38279(8) 0.57622(4) -0.29085(5) 0.0315(2) Uani 1 1 d .
Cu2 Cu -0.00108(7) 0.59855(4) 0.32016(5) 0.0261(2) Uani 1 1 d .
O1 O 0.7422(4) 0.59080(18) 0.4416(2) 0.0239(11) Uani 1 1 d .
O2 O 0.4712(5) 0.7500 0.3729(4) 0.0196(15) Uani 1 2 d S
O3 O 0.7150(4) 0.68657(17) 0.3359(2) 0.0186(10) Uani 1 1 d .
O4 O 0.4732(4) 0.61905(18) 0.3554(3) 0.0242(11) Uani 1 1 d .
O5 O 0.5258(4) 0.61834(17) 0.1896(3) 0.0221(11) Uani 1 1 d .
O6 O 0.6850(4) 0.68779(18) 0.5230(2) 0.0223(11) Uani 1 1 d .
O7 O 0.9008(6) 0.7500 0.4958(4) 0.0236(16) Uani 1 2 d S
O8 O 0.7165(4) 0.68892(17) 0.1544(3) 0.0226(11) Uani 1 1 d .
O9 O 0.2200(6) 0.7500 0.3704(4) 0.0277(17) Uani 1 2 d S
O10 O 0.0986(6) 0.7500 0.0777(4) 0.0307(18) Uani 1 2 d S
O11 O 0.2008(4) 0.62075(18) 0.3664(3) 0.0226(11) Uani 1 1 d .
O12 O 0.2811(4) 0.68991(18) 0.2328(3) 0.0282(12) Uani 1 1 d .
O13 O 0.5816(4) 0.51248(18) 0.2996(3) 0.0277(11) Uani 1 1 d .
O14 O 0.5135(5) 0.7500 0.1885(4) 0.0224(16) Uani 1 2 d S
O15 O 0.9275(5) 0.7500 0.2906(4) 0.0257(16) Uani 1 2 d S
O16 O 0.4090(4) 0.68723(17) 0.4942(2) 0.0218(11) Uani 1 1 d .
O17 O 0.7955(4) 0.57907(19) 0.2764(3) 0.0273(12) Uani 1 1 d .
O18 O 0.3297(4) 0.68693(19) 0.0654(3) 0.0269(12) Uani 1 1 d .
O19 O 0.9795(4) 0.64031(19) 0.4289(3) 0.0259(12) Uani 1 1 d .
O20 O 0.5852(7) 0.7500 0.6549(4) 0.0353(19) Uani 1 2 d S
O21 O 0.9449(4) 0.6398(2) 0.6035(3) 0.0333(13) Uani 1 1 d .
O22 O 0.5354(4) 0.62356(19) 0.0027(3) 0.0339(13) Uani 1 1 d .
O23 O 0.5269(6) 0.7500 0.0198(4) 0.0268(17) Uani 1 2 d S
N1 N 0.2817(5) 0.5622(2) -0.1961(3) 0.0305(15) Uani 1 1 d U
N2 N 0.0305(5) 0.5749(2) 0.1992(3) 0.0262(14) Uani 1 1 d .
C1 C 0.3304(6) 0.5242(3) -0.1224(4) 0.0270(16) Uani 1 1 d U
H1A H 0.4044 0.4982 -0.1219 0.032 Uiso 1 1 calc R
C2 C 0.2788(7) 0.5212(3) -0.0487(5) 0.039(2) Uani 1 1 d .
H2A H 0.3172 0.4931 -0.0003 0.047 Uiso 1 1 calc R
C3 C 0.1703(6) 0.5588(3) -0.0429(4) 0.0307(18) Uani 1 1 d .
C4 C 0.1126(7) 0.5971(4) -0.1260(5) 0.052(2) Uani 1 1 d .
H4A H 0.0337 0.6213 -0.1318 0.062 Uiso 1 1 calc R
C5 C 0.1761(6) 0.5973(4) -0.1961(4) 0.047(2) Uani 1 1 d .
H5A H 0.1414 0.6241 -0.2468 0.057 Uiso 1 1 calc R
C6 C 0.1187(6) 0.5609(3) 0.0388(4) 0.0276(18) Uani 1 1 d .
C7 C 0.1883(7) 0.5352(3) 0.1234(4) 0.0331(19) Uani 1 1 d .
H7A H 0.2701 0.5133 0.1285 0.040 Uiso 1 1 calc R
C8 C 0.1451(6) 0.5398(3) 0.2014(4) 0.039(2) Uani 1 1 d .
H8A H 0.1936 0.5189 0.2566 0.047 Uiso 1 1 calc R
C9 C -0.0432(7) 0.6018(3) 0.1174(5) 0.041(2) Uani 1 1 d .
H9A H -0.1234 0.6241 0.1153 0.049 Uiso 1 1 calc R
C10 C -0.0043(7) 0.5973(3) 0.0371(5) 0.039(2) Uani 1 1 d .
H10A H -0.0558 0.6173 -0.0181 0.047 Uiso 1 1 calc R
O1W O 0.1725(6) 0.5635(3) -0.4252(4) 0.0572(19) Uani 1 1 d .
O2W O 0.5922(5) 0.5915(2) -0.1631(3) 0.0472(16) Uani 1 1 d .
O3W O 0.4867(5) 0.5909(2) -0.3833(4) 0.0682(16) Uani 1 1 d .
O4W O 0.3409(5) 0.6669(2) -0.2968(3) 0.0497(17) Uani 1 1 d .
O5W O 0.0508(6) 0.5046(2) 0.3899(4) 0.064(2) Uani 1 1 d .
O6W O 0.6518(9) 0.5142(4) -0.4401(6) 0.049(3) Uani 0.50 1 d P
O7W O 1.2000(6) 0.7500 0.5674(4) 0.042(2) Uani 1 2 d S
O8W O -0.1932(10) 0.7500 -0.0225(7) 0.099(3) Uani 1 2 d SU
O9W O -0.1182(14) 0.6651(6) 0.2696(9) 0.084(4) Uiso 0.50 1 d P
C21 C 0.5159(12) 0.7500 -0.1703(10) 0.017(3) Uiso 0.50 2 d SPD
H21A H 0.5183 0.7500 -0.2345 0.025 Uiso 0.50 2 calc SPR
H21B H 0.5627 0.7139 -0.1382 0.025 Uiso 0.25 1 calc PR
H21C H 0.5627 0.7861 -0.1382 0.025 Uiso 0.25 1 calc PR
C22 C 0.3301(8) 0.7500 -0.1701(8) 0.036(5) Uiso 0.50 2 d SPD
N21 N 0.2116(10) 0.7500 -0.1425(11) 0.114(10) Uiso 0.50 2 d SPD
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
O20 W1 O6 103.35(18) . 4_575
O20 W1 O6 103.35(18) . .
O6 W1 O6 93.5(2) 4_575 .
O20 W1 O16 98.5(2) . .
O6 W1 O16 157.52(15) 4_575 .
O6 W1 O16 86.63(16) . .
O20 W1 O16 98.47(19) . 4_575
O6 W1 O16 86.63(16) 4_575 4_575
O6 W1 O16 157.52(15) . 4_575
O16 W1 O16 84.9(2) . 4_575
O20 W1 O2 163.6(3) . .
O6 W1 O2 87.75(14) 4_575 .
O6 W1 O2 87.74(14) . .
O16 W1 O2 69.79(14) . .
O16 W1 O2 69.79(14) 4_575 .
O15 W2 O3 102.27(16) . 4_575
O15 W2 O3 102.27(16) . .
O3 W2 O3 95.2(2) 4_575 .
O15 W2 O8 95.94(17) . 4_575
O3 W2 O8 88.07(16) 4_575 4_575
O3 W2 O8 160.34(14) . 4_575
O15 W2 O8 95.94(17) . .
O3 W2 O8 160.34(14) 4_575 .
O3 W2 O8 88.07(16) . .
O8 W2 O8 82.7(2) 4_575 .
O15 W2 O9W 55.3(3) . 4_675
O3 W2 O9W 64.8(4) 4_575 4_675
O3 W2 O9W 141.3(3) . 4_675
O8 W2 O9W 56.9(3) 4_575 4_675
O8 W2 O9W 122.2(4) . 4_675
O15 W2 O9W 55.3(3) . 1_655
O3 W2 O9W 141.3(3) 4_575 1_655
O3 W2 O9W 64.8(4) . 1_655
O8 W2 O9W 122.2(4) 4_575 1_655
O8 W2 O9W 56.9(3) . 1_655
O9W W2 O9W 109.6(7) 4_675 1_655
O15 W2 O14 167.5(2) . .
O3 W2 O14 86.01(14) 4_575 .
O3 W2 O14 86.01(14) . .
O8 W2 O14 74.85(15) 4_575 .
O8 W2 O14 74.85(15) . .
O9W W2 O14 122.5(3) 4_675 .
O9W W2 O14 122.5(3) 1_655 .
O11 W3 O4 104.32(18) . .
O11 W3 O12 101.00(17) . .
O4 W3 O12 94.11(18) . .
O11 W3 O16 98.26(17) . .
O4 W3 O16 97.41(17) . .
O12 W3 O16 154.33(16) . .
O11 W3 O9 93.04(19) . .
O4 W3 O9 162.64(18) . .
O12 W3 O9 82.6(2) . .
O16 W3 O9 79.60(18) . .
O11 W3 O2 163.40(18) . .
O4 W3 O2 91.60(17) . .
O12 W3 O2 82.21(18) . .
O16 W3 O2 74.64(18) . .
O9 W3 O2 71.09(17) . .
O17 W4 O13 100.57(19) . .
O17 W4 O5 97.54(17) . .
O13 W4 O5 98.86(16) . .
O17 W4 O1 93.48(17) . .
O13 W4 O1 98.98(17) . .
O5 W4 O1 156.90(17) . .
O17 W4 O4 167.91(17) . .
O13 W4 O4 91.29(18) . .
O5 W4 O4 82.78(16) . .
O1 W4 O4 82.27(15) . .
O17 W4 O3 84.30(16) . .
O13 W4 O3 173.05(17) . .
O5 W4 O3 85.29(14) . .
O1 W4 O3 75.64(15) . .
O4 W4 O3 83.68(14) . .
O21 W5 O19 100.11(19) . .
O21 W5 O7 101.1(2) . .
O19 W5 O7 96.7(2) . .
O21 W5 O1 100.08(18) . .
O19 W5 O1 90.76(17) . .
O7 W5 O1 155.93(18) . .
O21 W5 O6 92.59(18) . .
O19 W5 O6 166.20(14) . .
O7 W5 O6 86.0(2) . .
O1 W5 O6 81.65(16) . .
O21 W5 O3 172.83(18) . .
O19 W5 O3 83.43(15) . .
O7 W5 O3 84.60(17) . .
O1 W5 O3 73.53(14) . .
O6 W5 O3 83.37(14) . .
O22 W6 O8 102.16(19) . .
O22 W6 O18 103.84(18) . .
O8 W6 O18 153.98(17) . .
O22 W6 O5 100.33(18) . .
O8 W6 O5 87.34(16) . .
O18 W6 O5 89.07(17) . .
O22 W6 O23 97.9(2) . .
O8 W6 O23 88.00(19) . .
O18 W6 O23 87.4(2) . .
O5 W6 O23 161.77(19) . .
O22 W6 O14 172.86(18) . .
O8 W6 O14 78.30(17) . .
O18 W6 O14 75.77(17) . .
O5 W6 O14 86.80(16) . .
O23 W6 O14 74.99(18) . .
O10 W7 O18 99.18(18) . 4_575
O10 W7 O18 99.18(18) . .
O18 W7 O18 91.2(3) 4_575 .
O10 W7 O12 100.86(19) . .
O18 W7 O12 159.79(16) 4_575 .
O18 W7 O12 88.22(18) . .
O10 W7 O12 100.86(19) . 4_575
O18 W7 O12 88.22(18) 4_575 4_575
O18 W7 O12 159.79(16) . 4_575
O12 W7 O12 85.5(2) . 4_575
O10 W7 O14 169.6(3) . .
O18 W7 O14 73.76(14) 4_575 .
O18 W7 O14 73.77(14) . .
O12 W7 O14 86.70(16) . .
O12 W7 O14 86.70(16) 4_575 .
O13 Cu1 O3W 88.1(2) 3_665 .
O13 Cu1 N1 92.2(2) 3_665 .
O3W Cu1 N1 178.9(2) . .
O13 Cu1 O4W 174.01(18) 3_665 .
O3W Cu1 O4W 87.7(2) . .
N1 Cu1 O4W 92.1(2) . .
O13 Cu1 O2W 93.22(16) 3_665 .
O3W Cu1 O2W 90.38(19) . .
N1 Cu1 O2W 88.54(19) . .
O4W Cu1 O2W 91.07(18) . .
O13 Cu1 O1W 87.90(17) 3_665 .
O3W Cu1 O1W 87.6(2) . .
N1 Cu1 O1W 93.49(19) . .
O4W Cu1 O1W 87.67(19) . .
O2W Cu1 O1W 177.6(2) . .
O9W Cu2 O19 75.9(4) . 1_455
O9W Cu2 O17 65.2(4) . 1_455
O19 Cu2 O17 90.84(16) 1_455 1_455
O9W Cu2 O11 113.4(4) . .
O19 Cu2 O11 87.25(16) 1_455 .
O17 Cu2 O11 177.87(17) 1_455 .
O9W Cu2 N2 95.4(5) . .
O19 Cu2 N2 166.4(2) 1_455 .
O17 Cu2 N2 94.82(18) 1_455 .
O11 Cu2 N2 86.85(18) . .
O9W Cu2 O5W 154.8(5) . .
O19 Cu2 O5W 96.4(2) 1_455 .
O17 Cu2 O5W 91.36(19) 1_455 .
O11 Cu2 O5W 89.79(19) . .
N2 Cu2 O5W 95.8(2) . .
W4 O1 W5 116.6(2) . .
W3 O2 W3 106.3(2) . 4_575
W3 O2 W1 96.68(17) . .
W3 O2 W1 96.68(17) 4_575 .
W2 O3 W4 134.26(18) . .
W2 O3 W5 125.11(17) . .
W4 O3 W5 92.17(13) . .
W3 O4 W4 156.1(2) . .
W4 O5 W6 141.5(2) . .
W1 O6 W5 148.1(2) . .
W5 O7 W5 154.2(3) 4_575 .
W6 O8 W2 113.7(2) . .
W3 O9 W3 110.7(3) . 4_575
W3 O11 Cu2 149.4(2) . .
W3 O12 W7 148.7(2) . .
W4 O13 Cu1 149.4(2) . 3_665
W6 O14 W6 94.5(2) 4_575 .
W6 O14 W2 92.76(17) 4_575 .
W6 O14 W2 92.76(17) . .
W6 O14 W7 92.62(14) 4_575 .
W6 O14 W7 92.62(14) . .
W2 O14 W7 172.1(3) . .
W3 O16 W1 117.6(2) . .
W4 O17 Cu2 141.6(2) . 1_655
W6 O18 W7 117.83(19) . .
W5 O19 Cu2 144.1(2) . 1_655
W6 O23 W6 115.4(3) 4_575 .
C5 N1 C1 116.9(6) . .
C5 N1 Cu1 120.0(4) . .
C1 N1 Cu1 122.4(4) . .
C9 N2 C8 119.1(6) . .
C9 N2 Cu2 120.5(5) . .
C8 N2 Cu2 119.3(4) . .
N1 C1 C2 124.0(6) . .
N1 C1 H1A 118.0 . .
C2 C1 H1A 118.0 . .
C1 C2 C3 121.8(6) . .
C1 C2 H2A 119.1 . .
C3 C2 H2A 119.1 . .
C2 C3 C4 113.6(6) . .
C2 C3 C6 123.9(6) . .
C4 C3 C6 122.5(6) . .
C5 C4 C3 119.1(6) . .
C5 C4 H4A 120.4 . .
C3 C4 H4A 120.4 . .
N1 C5 C4 124.3(6) . .
N1 C5 H5A 117.9 . .
C4 C5 H5A 117.9 . .
C7 C6 C10 115.4(6) . .
C7 C6 C3 123.0(6) . .
C10 C6 C3 121.2(5) . .
C6 C7 C8 123.5(6) . .
C6 C7 H7A 118.3 . .
C8 C7 H7A 118.3 . .
C7 C8 N2 120.3(6) . .
C7 C8 H8A 119.8 . .
N2 C8 H8A 119.8 . .
N2 C9 C10 122.1(6) . .
N2 C9 H9A 119.0 . .
C10 C9 H9A 119.0 . .
C9 C10 C6 119.5(6) . .
C9 C10 H10A 120.3 . .
C6 C10 H10A 120.3 . .
Cu2 O9W W2 160.7(8) . 1_455
C22 C21 H21A 109.5 . .
C22 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C22 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N21 C22 C21 163.6(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O20 1.716(6) .
W1 O6 1.855(4) 4_575
W1 O6 1.855(4) .
W1 O16 2.021(4) .
W1 O16 2.021(4) 4_575
W1 O2 2.303(5) .
W2 O15 1.708(5) .
W2 O3 1.866(4) 4_575
W2 O3 1.866(4) .
W2 O8 2.008(4) 4_575
W2 O8 2.009(4) .
W2 O9W 2.255(14) 4_675
W2 O9W 2.255(14) 1_655
W2 O14 2.262(5) .
W3 O11 1.738(4) .
W3 O4 1.784(4) .
W3 O12 1.882(4) .
W3 O16 1.898(3) .
W3 O9 2.122(3) .
W3 O2 2.182(3) .
W4 O17 1.747(4) .
W4 O13 1.753(4) .
W4 O5 1.897(3) .
W4 O1 1.921(3) .
W4 O4 2.130(4) .
W4 O3 2.246(4) .
W5 O21 1.742(4) .
W5 O19 1.800(4) .
W5 O7 1.9280(13) .
W5 O1 1.943(4) .
W5 O6 2.001(4) .
W5 O3 2.318(3) .
W6 O22 1.723(4) .
W6 O8 1.872(3) .
W6 O18 1.907(4) .
W6 O5 1.925(4) .
W6 O23 1.935(3) .
W6 O14 2.228(4) .
W7 O10 1.678(5) .
W7 O18 1.918(4) 4_575
W7 O18 1.918(4) .
W7 O12 1.923(4) .
W7 O12 1.923(4) 4_575
W7 O14 2.303(5) .
Cu1 O13 1.971(4) 3_665
Cu1 O3W 1.986(6) .
Cu1 N1 1.992(6) .
Cu1 O4W 2.009(5) .
Cu1 O2W 2.373(4) .
Cu1 O1W 2.424(5) .
Cu2 O9W 1.866(13) .
Cu2 O19 1.912(4) 1_455
Cu2 O17 1.981(4) 1_455
Cu2 O11 1.982(4) .
Cu2 N2 1.983(5) .
Cu2 O5W 2.274(5) .
O2 W3 2.183(3) 4_575
O7 W5 1.9279(13) 4_575
O9 W3 2.122(3) 4_575
O13 Cu1 1.971(4) 3_665
O14 W6 2.228(4) 4_575
O17 Cu2 1.981(4) 1_655
O19 Cu2 1.912(4) 1_655
O23 W6 1.935(3) 4_575
N1 C5 1.303(9) .
N1 C1 1.335(7) .
N2 C9 1.342(8) .
N2 C8 1.370(8) .
C1 C2 1.347(10) .
C1 H1A 0.9300 .
C2 C3 1.382(9) .
C2 H2A 0.9300 .
C3 C4 1.450(9) .
C3 C6 1.458(10) .
C4 C5 1.375(10) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C7 1.352(8) .
C6 C10 1.456(9) .
C7 C8 1.357(10) .
C7 H7A 0.9300 .
C8 H8A 0.9300 .
C9 C10 1.365(10) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
O9W W2 2.255(14) 1_455
C21 C22 1.861(15) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 N21 1.369(13) .
