#------------------------------------------------------------------------------
#$Date: 2021-02-25 12:01:52 +0200 (Thu, 25 Feb 2021) $
#$Revision: 262227 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/06/1560648.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_1560648
loop_
_publ_author_name
'Zheng, Ran'
'Zhang, Huixia'
'Liu, Yunping'
'Wang, Xiaoxiao'
'Han, Zhangang'
_publ_section_title
;
 Ag-ligand modified tungstovandates and their efficient catalysis
 degradation properties for methylene blue
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              258
_journal_page_last               263
_journal_paper_doi               10.1016/j.jssc.2016.11.037
_journal_volume                  246
_journal_year                    2017
_chemical_formula_sum            'C60 H60 Ag3 N10 O20 V W5'
_chemical_formula_weight         2534.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                97.1440(10)
_cell_angle_beta                 103.8140(10)
_cell_angle_gamma                98.7420(10)
_cell_formula_units_Z            2
_cell_length_a                   12.3421(4)
_cell_length_b                   14.1010(5)
_cell_length_c                   20.3379(7)
_cell_measurement_reflns_used    9366
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.24
_cell_volume                     3349.3(2)
_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-2014 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0157
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17124
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.482
_exptl_absorpt_coefficient_mu    9.617
_exptl_absorpt_correction_T_max  0.286
_exptl_absorpt_correction_T_min  0.213
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.514
_exptl_crystal_description       block
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.048
_refine_diff_density_min         -1.709
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     901
_refine_ls_number_reflns         11714
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0424P)²+5.6580P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0781
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9772
_reflns_number_total             11714
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            JSSC-2017-246-258.cif
_cod_data_source_block           703_4_0m
_cod_database_code               1560648
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W -0.01791(3) -0.14827(3) 0.77082(2) 0.04097(10) Uani 0.65 1 d . . P A 1
W2 W -0.23316(3) -0.08081(2) 0.67370(2) 0.03708(8) Uani 0.8 1 d . . P A 1
W3 W -0.23480(3) -0.11396(2) 0.82852(2) 0.03481(8) Uani 0.75 1 d . . P A 1
W4 W -0.18328(2) -0.30016(2) 0.63938(2) 0.03455(7) Uani 0.9 1 d . . P A 1
W6 W -0.40313(2) -0.26707(2) 0.69766(2) 0.03255(7) Uani 0.9 1 d . . P A 1
V1 V -0.01791(3) -0.14827(3) 0.77082(2) 0.04097(10) Uani 0.35 1 d . . P A 2
V2 V -0.23316(3) -0.08081(2) 0.67370(2) 0.03708(8) Uani 0.2 1 d . . P A 2
V3 V -0.23480(3) -0.11396(2) 0.82852(2) 0.03481(8) Uani 0.25 1 d . . P A 2
V4 V -0.18328(2) -0.30016(2) 0.63938(2) 0.03455(7) Uani 0.1 1 d . . P A 2
V6 V -0.40313(2) -0.26707(2) 0.69766(2) 0.03255(7) Uani 0.1 1 d . . P A 2
W5 W -0.18527(2) -0.33373(2) 0.79573(2) 0.04399(8) Uani 1 1 d . . . . .
Ag1 Ag 0.02674(5) 0.10391(4) 0.70247(2) 0.04313(13) Uani 1 1 d . . . . .
Ag2 Ag 0.26031(4) 0.22579(4) 0.74053(3) 0.04473(13) Uani 1 1 d . . . . .
Ag3 Ag 0.45308(5) 0.40433(4) 0.82815(3) 0.05382(15) Uani 1 1 d . . . . .
O1 O -0.0727(3) -0.0557(3) 0.7155(2) 0.0413(10) Uani 1 1 d . . . . .
O2 O -0.0757(4) -0.0856(3) 0.8406(2) 0.0472(11) Uani 1 1 d . . . . .
O3 O -0.0343(4) -0.2618(3) 0.8132(2) 0.0490(12) Uani 1 1 d . . . . .
O4 O -0.0328(3) -0.2337(3) 0.6870(2) 0.0410(10) Uani 1 1 d . . . . .
O5 O 0.1201(4) -0.1005(4) 0.7976(3) 0.0707(16) Uani 1 1 d . . . . .
O6 O -0.2490(4) 0.0116(4) 0.6295(3) 0.0559(13) Uani 1 1 d . . . . .
O7 O -0.2062(4) -0.1792(3) 0.6087(2) 0.0390(10) Uani 1 1 d . . . . .
O8 O -0.2503(3) -0.0303(3) 0.7615(2) 0.0365(10) Uani 1 1 d . . . . .
O9 O -0.2561(4) -0.0480(4) 0.8974(2) 0.0555(13) Uani 1 1 d . . . . .
O10 O -0.3844(3) -0.1525(3) 0.6555(2) 0.0362(9) Uani 1 1 d . . . . .
O11 O -0.2100(3) -0.2082(3) 0.73399(19) 0.0292(9) Uani 1 1 d . . . . .
O12 O -0.1644(4) -0.3699(4) 0.5698(3) 0.0551(13) Uani 1 1 d . . . . .
O13 O -0.1695(3) -0.3847(3) 0.7070(2) 0.0395(10) Uani 1 1 d . . . . .
O14 O -0.1681(5) -0.4289(4) 0.8399(3) 0.0713(17) Uani 1 1 d . . . . .
O15 O -0.3441(3) -0.3296(3) 0.6272(2) 0.0384(10) Uani 1 1 d . . . . .
O16 O -0.2130(4) -0.2363(3) 0.8593(2) 0.0473(11) Uani 1 1 d . . . . .
O17 O -0.3465(4) -0.3584(3) 0.7536(2) 0.0422(11) Uani 1 1 d . . . . .
O18 O -0.5452(4) -0.3115(3) 0.6709(3) 0.0525(12) Uani 1 1 d . . . . .
O19 O -0.3861(3) -0.1811(3) 0.7813(2) 0.0369(10) Uani 1 1 d . . . . .
C1 C 0.1846(6) -0.0276(5) 0.6402(4) 0.0469(17) Uani 1 1 d . . . . .
H1 H 0.1889 -0.0525 0.6808 0.056 Uiso 1 1 calc R U . . .
C2 C 0.2459(5) -0.0617(5) 0.5970(4) 0.0424(15) Uani 1 1 d . . . . .
C3 C 0.2374(6) -0.0245(5) 0.5369(4) 0.0443(16) Uani 1 1 d . . . . .
H3 H 0.2777 -0.0451 0.5063 0.053 Uiso 1 1 calc R U . . .
C4 C 0.1695(5) 0.0430(5) 0.5217(3) 0.0397(14) Uani 1 1 d . . . . .
H4 H 0.1630 0.0675 0.4808 0.048 Uiso 1 1 calc R U . . .
C5 C 0.1108(5) 0.0739(4) 0.5680(3) 0.0321(13) Uani 1 1 d . . . . .
C6 C 0.0366(5) 0.1478(4) 0.5557(3) 0.0339(13) Uani 1 1 d . . . . .
C7 C 0.0332(6) 0.1999(5) 0.5020(4) 0.0501(18) Uani 1 1 d . . . . .
H7 H 0.0793 0.1905 0.4725 0.060 Uiso 1 1 calc R U . . .
C8 C -0.0388(6) 0.2660(5) 0.4923(4) 0.058(2) Uani 1 1 d . . . . .
H8 H -0.0410 0.3012 0.4564 0.070 Uiso 1 1 calc R U . . .
C9 C -0.1075(6) 0.2800(5) 0.5358(4) 0.0486(17) Uani 1 1 d . . . . .
C10 C -0.0987(5) 0.2259(5) 0.5879(3) 0.0423(15) Uani 1 1 d . . . . .
H10 H -0.1448 0.2342 0.6174 0.051 Uiso 1 1 calc R U . . .
C11 C -0.1880(7) 0.3514(6) 0.5277(5) 0.068(2) Uani 1 1 d . . . . .
H11A H -0.1474 0.4154 0.5498 0.102 Uiso 1 1 calc R U . . .
H11B H -0.2482 0.3323 0.5486 0.102 Uiso 1 1 calc R U . . .
H11C H -0.2195 0.3517 0.4798 0.102 Uiso 1 1 calc R U . . .
C12 C 0.3206(7) -0.1350(6) 0.6160(4) 0.062(2) Uani 1 1 d . . . . .
H12A H 0.3639 -0.1440 0.5830 0.093 Uiso 1 1 calc R U . . .
H12B H 0.2740 -0.1960 0.6162 0.093 Uiso 1 1 calc R U . . .
H12C H 0.3714 -0.1117 0.6608 0.093 Uiso 1 1 calc R U . . .
C13 C 0.0569(6) 0.1378(5) 0.8574(3) 0.0424(15) Uani 1 1 d . . . . .
H13 H 0.0485 0.0707 0.8461 0.051 Uiso 1 1 calc R U . . .
C14 C 0.0658(6) 0.1757(5) 0.9249(3) 0.0474(16) Uani 1 1 d . . . . .
C15 C 0.0758(6) 0.2738(5) 0.9404(4) 0.0526(18) Uani 1 1 d . . . . .
H15 H 0.0824 0.3028 0.9852 0.063 Uiso 1 1 calc R U . . .
C16 C 0.0762(6) 0.3303(5) 0.8894(4) 0.0470(17) Uani 1 1 d . . . . .
H16 H 0.0799 0.3971 0.8994 0.056 Uiso 1 1 calc R U . . .
C17 C 0.0712(5) 0.2877(4) 0.8245(3) 0.0374(14) Uani 1 1 d . . . . .
C18 C 0.0756(5) 0.3470(4) 0.7693(3) 0.0376(14) Uani 1 1 d . . . . .
C19 C 0.0143(6) 0.4220(5) 0.7620(4) 0.0540(19) Uani 1 1 d . . . . .
H19 H -0.0320 0.4342 0.7908 0.065 Uiso 1 1 calc R U . . .
C20 C 0.0226(6) 0.4780(5) 0.7121(4) 0.060(2) Uani 1 1 d . . . . .
H20 H -0.0164 0.5294 0.7080 0.072 Uiso 1 1 calc R U . . .
C21 C 0.0887(6) 0.4583(5) 0.6678(4) 0.0537(19) Uani 1 1 d . . . . .
C22 C 0.1473(5) 0.3821(5) 0.6778(4) 0.0464(17) Uani 1 1 d . . . . .
H22 H 0.1917 0.3673 0.6483 0.056 Uiso 1 1 calc R U . . .
C23 C 0.1003(8) 0.5165(6) 0.6108(5) 0.077(3) Uani 1 1 d . . . . .
H23A H 0.0374 0.5496 0.6004 0.116 Uiso 1 1 calc R U . . .
H23B H 0.1007 0.4733 0.5705 0.116 Uiso 1 1 calc R U . . .
H23C H 0.1700 0.5634 0.6256 0.116 Uiso 1 1 calc R U . . .
C24 C 0.0639(8) 0.1096(7) 0.9774(4) 0.070(2) Uani 1 1 d . . . . .
H24A H 0.1404 0.1077 1.0014 0.106 Uiso 1 1 calc R U . . .
H24B H 0.0255 0.0452 0.9547 0.106 Uiso 1 1 calc R U . . .
H24C H 0.0246 0.1337 1.0094 0.106 Uiso 1 1 calc R U . . .
C25 C 0.3318(6) 0.0824(5) 0.8471(3) 0.0470(16) Uani 1 1 d . . . . .
H25 H 0.2759 0.1048 0.8650 0.056 Uiso 1 1 calc R U . . .
C26 C 0.3844(6) 0.0126(5) 0.8778(4) 0.0489(17) Uani 1 1 d . . . . .
C27 C 0.4687(6) -0.0160(6) 0.8511(4) 0.064(2) Uani 1 1 d . . . . .
H27 H 0.5089 -0.0609 0.8705 0.077 Uiso 1 1 calc R U . . .
C28 C 0.4943(6) 0.0211(5) 0.7958(4) 0.056(2) Uani 1 1 d . . . . .
H28 H 0.5516 0.0013 0.7781 0.068 Uiso 1 1 calc R U . . .
C29 C 0.4354(5) 0.0872(4) 0.7668(4) 0.0400(15) Uani 1 1 d . . . . .
C30 C 0.4513(5) 0.1199(4) 0.7031(3) 0.0370(14) Uani 1 1 d . . . . .
C31 C 0.5317(6) 0.0928(5) 0.6711(4) 0.0525(18) Uani 1 1 d . . . . .
H31 H 0.5812 0.0545 0.6910 0.063 Uiso 1 1 calc R U . . .
C32 C 0.5385(6) 0.1222(6) 0.6105(4) 0.058(2) Uani 1 1 d . . . . .
H32 H 0.5930 0.1036 0.5896 0.070 Uiso 1 1 calc R U . . .
C33 C 0.4660(6) 0.1791(5) 0.5796(3) 0.0456(16) Uani 1 1 d . . . . .
C34 C 0.3896(5) 0.2054(4) 0.6154(3) 0.0398(15) Uani 1 1 d . . . . .
H34 H 0.3402 0.2443 0.5964 0.048 Uiso 1 1 calc R U . . .
C35 C 0.4674(7) 0.2104(6) 0.5117(4) 0.066(2) Uani 1 1 d . . . . .
H35A H 0.5404 0.2488 0.5152 0.099 Uiso 1 1 calc R U . . .
H35B H 0.4097 0.2485 0.4996 0.099 Uiso 1 1 calc R U . . .
H35C H 0.4531 0.1540 0.4770 0.099 Uiso 1 1 calc R U . . .
C36 C 0.6622(6) 0.2940(5) 0.8922(4) 0.0507(17) Uani 1 1 d . . . . .
H36 H 0.6355 0.3023 0.9312 0.061 Uiso 1 1 calc R U . . .
C37 C 0.7402(6) 0.2324(5) 0.8909(4) 0.0497(17) Uani 1 1 d . . . . .
C38 C 0.7738(6) 0.2192(5) 0.8311(4) 0.0562(19) Uani 1 1 d . . . . .
H38 H 0.8233 0.1768 0.8262 0.067 Uiso 1 1 calc R U . . .
C39 C 0.7346(6) 0.2688(5) 0.7784(4) 0.0529(18) Uani 1 1 d . . . . .
H39 H 0.7597 0.2612 0.7388 0.063 Uiso 1 1 calc R U . . .
C40 C 0.6576(5) 0.3300(5) 0.7844(4) 0.0420(15) Uani 1 1 d . . . . .
C41 C 0.6052(5) 0.3797(4) 0.7284(3) 0.0391(14) Uani 1 1 d . . . . .
C42 C 0.6542(6) 0.3990(5) 0.6758(4) 0.0489(17) Uani 1 1 d . . . . .
H42 H 0.7260 0.3855 0.6768 0.059 Uiso 1 1 calc R U . . .
C43 C 0.5976(6) 0.4377(5) 0.6221(4) 0.0516(18) Uani 1 1 d . . . . .
H43 H 0.6305 0.4500 0.5866 0.062 Uiso 1 1 calc R U . . .
C44 C 0.4913(6) 0.4584(5) 0.6212(4) 0.0469(16) Uani 1 1 d . . . . .
C45 C 0.4517(6) 0.4417(5) 0.6769(4) 0.0434(15) Uani 1 1 d . . . . .
H45 H 0.3821 0.4585 0.6783 0.052 Uiso 1 1 calc R U . . .
C46 C 0.4197(7) 0.4961(6) 0.5628(4) 0.060(2) Uani 1 1 d . . . . .
H46A H 0.3963 0.4466 0.5226 0.090 Uiso 1 1 calc R U . . .
H46B H 0.4634 0.5527 0.5534 0.090 Uiso 1 1 calc R U . . .
H46C H 0.3539 0.5129 0.5752 0.090 Uiso 1 1 calc R U . . .
C47 C 0.7776(8) 0.1828(6) 0.9514(5) 0.078(3) Uani 1 1 d . . . . .
H47A H 0.7246 0.1841 0.9790 0.116 Uiso 1 1 calc R U . . .
H47B H 0.8516 0.2161 0.9784 0.116 Uiso 1 1 calc R U . . .
H47C H 0.7807 0.1165 0.9354 0.116 Uiso 1 1 calc R U . . .
C48 C 0.4026(6) 0.3146(5) 0.9560(4) 0.0497(17) Uani 1 1 d . . . . .
H48 H 0.4279 0.2622 0.9360 0.060 Uiso 1 1 calc R U . . .
C49 C 0.3952(6) 0.3157(5) 1.0223(4) 0.0516(18) Uani 1 1 d . . . . .
C50 C 0.3544(7) 0.3943(6) 1.0498(4) 0.059(2) Uani 1 1 d . . . . .
H50 H 0.3461 0.3991 1.0943 0.071 Uiso 1 1 calc R U . . .
C51 C 0.3261(6) 0.4650(5) 1.0108(4) 0.0515(18) Uani 1 1 d . . . . .
H51 H 0.2982 0.5172 1.0289 0.062 Uiso 1 1 calc R U . . .
C52 C 0.3394(5) 0.4578(5) 0.9452(4) 0.0417(15) Uani 1 1 d . . . . .
C53 C 0.3144(5) 0.5317(5) 0.9006(4) 0.0437(16) Uani 1 1 d . . . . .
C54 C 0.2381(6) 0.5926(5) 0.9083(4) 0.0506(17) Uani 1 1 d . . . . .
H54 H 0.2010 0.5888 0.9429 0.061 Uiso 1 1 calc R U . . .
C55 C 0.2176(6) 0.6590(6) 0.8640(4) 0.061(2) Uani 1 1 d . . . . .
H55 H 0.1659 0.6993 0.8686 0.073 Uiso 1 1 calc R U . . .
C56 C 0.2734(6) 0.6652(5) 0.8135(4) 0.0551(19) Uani 1 1 d . . . . .
C57 C 0.3487(6) 0.6017(5) 0.8097(4) 0.0521(18) Uani 1 1 d . . . . .
H57 H 0.3869 0.6042 0.7755 0.063 Uiso 1 1 calc R U . . .
C58 C 0.2563(9) 0.7335(7) 0.7634(5) 0.085(3) Uani 1 1 d . . . . .
H58A H 0.1765 0.7279 0.7429 0.128 Uiso 1 1 calc R U . . .
H58B H 0.2935 0.7177 0.7282 0.128 Uiso 1 1 calc R U . . .
H58C H 0.2877 0.7990 0.7866 0.128 Uiso 1 1 calc R U . . .
C59 C 0.4278(8) 0.2371(6) 1.0627(5) 0.076(3) Uani 1 1 d . . . . .
H59A H 0.3784 0.1762 1.0409 0.115 Uiso 1 1 calc R U . . .
H59B H 0.4208 0.2533 1.1085 0.115 Uiso 1 1 calc R U . . .
H59C H 0.5049 0.2317 1.0642 0.115 Uiso 1 1 calc R U . . .
C95 C 0.3471(7) -0.0298(7) 0.9349(4) 0.070(2) Uani 1 1 d . . . . .
H95A H 0.3734 0.0178 0.9761 0.105 Uiso 1 1 d R U . . .
H95B H 0.3797 -0.0865 0.9421 0.105 Uiso 1 1 d R U . . .
H95C H 0.2658 -0.0475 0.9236 0.105 Uiso 1 1 d R U . . .
N1 N 0.1195(4) 0.0387(4) 0.6275(3) 0.0364(12) Uani 1 1 d . . . . .
N2 N -0.0287(4) 0.1618(4) 0.5995(3) 0.0379(12) Uani 1 1 d . . . . .
N3 N 0.0596(4) 0.1897(4) 0.8075(3) 0.0372(12) Uani 1 1 d . . . . .
N4 N 0.1433(4) 0.3285(3) 0.7280(3) 0.0353(11) Uani 1 1 d . . . . .
N5 N 0.3557(4) 0.1195(4) 0.7939(3) 0.0407(12) Uani 1 1 d . . . . .
N6 N 0.3817(4) 0.1791(3) 0.6751(3) 0.0366(12) Uani 1 1 d . . . . .
N7 N 0.6230(5) 0.3419(4) 0.8419(3) 0.0461(14) Uani 1 1 d . . . . .
N8 N 0.5046(5) 0.4035(4) 0.7292(3) 0.0412(12) Uani 1 1 d . . . . .
N9 N 0.3772(5) 0.3813(4) 0.9183(3) 0.0454(13) Uani 1 1 d . . . . .
N10 N 0.3694(5) 0.5377(4) 0.8517(3) 0.0471(14) Uani 1 1 d . . . . .
O1W O 0.8988(7) 0.4648(6) 0.9464(4) 0.116(3) 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'
Ag Ag -0.8971 1.1015 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
O5 W1 O4 104.2(2) . .
O5 W1 O3 104.6(3) . .
O4 W1 O3 87.4(2) . .
O5 W1 O2 102.1(2) . .
O4 W1 O2 153.72(18) . .
O3 W1 O2 86.8(2) . .
O5 W1 O1 100.9(2) . .
O4 W1 O1 87.42(19) . .
O3 W1 O1 154.47(18) . .
O2 W1 O1 86.86(19) . .
O5 W1 O11 177.8(2) . .
O4 W1 O11 77.06(15) . .
O3 W1 O11 77.18(16) . .
O2 W1 O11 76.66(16) . .
O1 W1 O11 77.30(15) . .
O6 W2 O10 103.5(2) . .
O6 W2 O8 103.4(2) . .
O10 W2 O8 86.60(18) . .
O6 W2 O7 102.9(2) . .
O10 W2 O7 87.81(18) . .
O8 W2 O7 153.66(16) . .
O6 W2 O1 102.6(2) . .
O10 W2 O1 153.82(16) . .
O8 W2 O1 86.97(18) . .
O7 W2 O1 86.79(18) . .
O6 W2 O11 179.44(18) . .
O10 W2 O11 76.81(14) . .
O8 W2 O11 77.03(14) . .
O7 W2 O11 76.63(15) . .
O1 W2 O11 77.03(15) . .
O9 W3 O2 104.6(2) . .
O9 W3 O8 103.7(2) . .
O2 W3 O8 88.36(19) . .
O9 W3 O19 102.0(2) . .
O2 W3 O19 153.39(18) . .
O8 W3 O19 87.12(18) . .
O9 W3 O16 102.9(2) . .
O2 W3 O16 86.8(2) . .
O8 W3 O16 153.35(18) . .
O19 W3 O16 85.58(19) . .
O9 W3 O11 178.3(2) . .
O2 W3 O11 76.85(17) . .
O8 W3 O11 77.29(14) . .
O19 W3 O11 76.57(15) . .
O16 W3 O11 76.09(15) . .
O12 W4 O4 103.5(2) . .
O12 W4 O15 103.2(2) . .
O4 W4 O15 153.29(18) . .
O12 W4 O13 102.8(2) . .
O4 W4 O13 87.21(18) . .
O15 W4 O13 87.45(17) . .
O12 W4 O7 104.1(2) . .
O4 W4 O7 86.33(18) . .
O15 W4 O7 86.68(17) . .
O13 W4 O7 153.07(17) . .
O12 W4 O11 179.07(19) . .
O4 W4 O11 76.99(15) . .
O15 W4 O11 76.32(15) . .
O13 W4 O11 76.34(15) . .
O7 W4 O11 76.74(15) . .
O18 W6 O19 103.5(2) . .
O18 W6 O17 103.2(2) . .
O19 W6 O17 86.97(18) . .
O18 W6 O10 103.9(2) . .
O19 W6 O10 87.05(17) . .
O17 W6 O10 152.95(18) . .
O18 W6 O15 103.9(2) . .
O19 W6 O15 152.65(17) . .
O17 W6 O15 87.13(18) . .
O10 W6 O15 86.18(17) . .
O18 W6 O11 179.44(19) . .
O19 W6 O11 76.81(15) . .
O17 W6 O11 76.36(15) . .
O10 W6 O11 76.60(14) . .
O15 W6 O11 75.84(15) . .
O14 W5 O16 104.2(2) . .
O14 W5 O3 103.6(2) . .
O16 W5 O3 88.3(2) . .
O14 W5 O13 102.7(2) . .
O16 W5 O13 153.10(17) . .
O3 W5 O13 86.65(19) . .
O14 W5 O17 103.2(2) . .
O16 W5 O17 86.24(19) . .
O3 W5 O17 153.21(17) . .
O13 W5 O17 86.46(18) . .
O14 W5 O11 178.7(2) . .
O16 W5 O11 76.93(15) . .
O3 W5 O11 77.03(15) . .
O13 W5 O11 76.19(15) . .
O17 W5 O11 76.19(14) . .
N3 Ag1 N1 141.58(19) . .
N3 Ag1 N2 125.71(17) . .
N1 Ag1 N2 71.96(17) . .
N3 Ag1 O1 101.84(17) . .
N1 Ag1 O1 94.40(16) . .
N2 Ag1 O1 119.29(17) . .
N3 Ag1 Ag2 71.27(13) . .
N1 Ag1 Ag2 74.00(13) . .
N2 Ag1 Ag2 93.55(13) . .
O1 Ag1 Ag2 140.29(10) . .
N4 Ag2 N5 155.85(18) . .
N4 Ag2 N6 131.55(17) . .
N5 Ag2 N6 72.52(17) . .
N4 Ag2 Ag1 74.33(13) . .
N5 Ag2 Ag1 98.08(14) . .
N6 Ag2 Ag1 115.71(13) . .
N4 Ag2 Ag3 87.52(14) . .
N5 Ag2 Ag3 90.58(14) . .
N6 Ag2 Ag3 90.91(13) . .
Ag1 Ag2 Ag3 153.36(2) . .
N8 Ag3 N9 169.8(2) . .
N8 Ag3 N10 111.55(19) . .
N9 Ag3 N10 72.49(18) . .
N8 Ag3 N7 72.31(19) . .
N9 Ag3 N7 109.81(19) . .
N10 Ag3 N7 146.7(2) . .
N8 Ag3 Ag2 83.31(14) . .
N9 Ag3 Ag2 86.49(15) . .
N10 Ag3 Ag2 109.16(15) . .
N7 Ag3 Ag2 104.11(14) . .
W2 O1 W1 115.9(2) . .
W2 O1 Ag1 113.75(18) . .
W1 O1 Ag1 129.7(2) . .
W3 O2 W1 116.9(2) . .
W5 O3 W1 116.2(2) . .
W1 O4 W4 116.20(19) . .
W2 O7 W4 116.5(2) . .
W3 O8 W2 116.48(19) . .
W2 O10 W6 116.61(19) . .
W1 O11 W4 89.76(11) . .
W1 O11 W3 89.57(13) . .
W4 O11 W3 179.05(17) . .
W1 O11 W6 179.4(2) . .
W4 O11 W6 90.77(14) . .
W3 O11 W6 89.90(11) . .
W1 O11 W5 89.64(12) . .
W4 O11 W5 90.57(12) . .
W3 O11 W5 90.10(12) . .
W6 O11 W5 90.59(12) . .
W1 O11 W2 89.79(12) . .
W4 O11 W2 90.13(12) . .
W3 O11 W2 89.19(12) . .
W6 O11 W2 89.98(12) . .
W5 O11 W2 179.1(2) . .
W5 O13 W4 116.90(19) . .
W4 O15 W6 117.1(2) . .
W5 O16 W3 116.8(2) . .
W6 O17 W5 116.9(2) . .
W6 O19 W3 116.71(19) . .
N1 C1 C2 124.2(6) . .
N1 C1 H1 117.9 . .
C2 C1 H1 117.9 . .
C3 C2 C1 116.9(6) . .
C3 C2 C12 122.0(6) . .
C1 C2 C12 121.1(6) . .
C4 C3 C2 120.4(6) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 119.2(6) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N1 C5 C4 120.9(5) . .
N1 C5 C6 116.6(5) . .
C4 C5 C6 122.4(5) . .
N2 C6 C7 120.7(5) . .
N2 C6 C5 116.9(5) . .
C7 C6 C5 122.4(5) . .
C8 C7 C6 119.8(6) . .
C8 C7 H7 120.1 . .
C6 C7 H7 120.1 . .
C9 C8 C7 120.2(6) . .
C9 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
C10 C9 C8 116.4(6) . .
C10 C9 C11 121.0(6) . .
C8 C9 C11 122.6(6) . .
N2 C10 C9 125.2(6) . .
N2 C10 H10 117.4 . .
C9 C10 H10 117.4 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C2 C12 H12A 109.5 . .
C2 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C2 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N3 C13 C14 125.2(6) . .
N3 C13 H13 117.4 . .
C14 C13 H13 117.4 . .
C15 C14 C13 116.8(6) . .
C15 C14 C24 122.9(7) . .
C13 C14 C24 120.3(7) . .
C14 C15 C16 119.8(6) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C17 C16 C15 119.7(6) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
N3 C17 C16 121.5(6) . .
N3 C17 C18 117.6(5) . .
C16 C17 C18 120.9(6) . .
N4 C18 C19 120.9(6) . .
N4 C18 C17 118.3(5) . .
C19 C18 C17 120.7(6) . .
C20 C19 C18 119.7(6) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
C19 C20 C21 120.3(6) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C20 C21 C22 116.9(6) . .
C20 C21 C23 122.9(6) . .
C22 C21 C23 120.2(7) . .
N4 C22 C21 123.7(6) . .
N4 C22 H22 118.2 . .
C21 C22 H22 118.2 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C14 C24 H24A 109.5 . .
C14 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C14 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N5 C25 C26 124.7(6) . .
N5 C25 H25 117.7 . .
C26 C25 H25 117.7 . .
C27 C26 C25 115.6(6) . .
C27 C26 C95 123.2(6) . .
C25 C26 C95 121.2(6) . .
C26 C27 C28 120.5(6) . .
C26 C27 H27 119.7 . .
C28 C27 H27 119.7 . .
C29 C28 C27 120.2(6) . .
C29 C28 H28 119.9 . .
C27 C28 H28 119.9 . .
N5 C29 C28 120.3(6) . .
N5 C29 C30 117.9(5) . .
C28 C29 C30 121.7(6) . .
N6 C30 C31 119.8(6) . .
N6 C30 C29 117.1(5) . .
C31 C30 C29 123.2(5) . .
C32 C31 C30 120.1(6) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C31 C32 C33 121.4(6) . .
C31 C32 H32 119.3 . .
C33 C32 H32 119.3 . .
C32 C33 C34 115.3(6) . .
C32 C33 C35 123.3(6) . .
C34 C33 C35 121.3(6) . .
N6 C34 C33 124.9(6) . .
N6 C34 H34 117.6 . .
C33 C34 H34 117.6 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
N7 C36 C37 125.1(7) . .
N7 C36 H36 117.5 . .
C37 C36 H36 117.5 . .
C38 C37 C36 115.4(7) . .
C38 C37 C47 124.8(7) . .
C36 C37 C47 119.7(7) . .
C37 C38 C39 120.4(6) . .
C37 C38 H38 119.8 . .
C39 C38 H38 119.8 . .
C38 C39 C40 120.2(7) . .
C38 C39 H39 119.9 . .
C40 C39 H39 119.9 . .
N7 C40 C39 119.7(6) . .
N7 C40 C41 116.7(5) . .
C39 C40 C41 123.5(6) . .
N8 C41 C42 120.3(6) . .
N8 C41 C40 116.8(5) . .
C42 C41 C40 122.8(6) . .
C43 C42 C41 120.4(6) . .
C43 C42 H42 119.8 . .
C41 C42 H42 119.8 . .
C42 C43 C44 119.5(6) . .
C42 C43 H43 120.3 . .
C44 C43 H43 120.3 . .
C45 C44 C43 116.2(7) . .
C45 C44 C46 120.3(6) . .
C43 C44 C46 123.5(6) . .
N8 C45 C44 125.3(6) . .
N8 C45 H45 117.3 . .
C44 C45 H45 117.3 . .
C44 C46 H46A 109.5 . .
C44 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C44 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C37 C47 H47A 109.5 . .
C37 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C37 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
N9 C48 C49 125.6(6) . .
N9 C48 H48 117.2 . .
C49 C48 H48 117.2 . .
C48 C49 C50 115.4(7) . .
C48 C49 C59 122.5(7) . .
C50 C49 C59 122.1(7) . .
C51 C50 C49 120.0(7) . .
C51 C50 H50 120.0 . .
C49 C50 H50 120.0 . .
C52 C51 C50 119.7(6) . .
C52 C51 H51 120.1 . .
C50 C51 H51 120.1 . .
N9 C52 C51 120.3(6) . .
N9 C52 C53 116.4(6) . .
C51 C52 C53 123.3(6) . .
N10 C53 C54 120.5(6) . .
N10 C53 C52 116.7(5) . .
C54 C53 C52 122.9(6) . .
C55 C54 C53 119.7(6) . .
C55 C54 H54 120.1 . .
C53 C54 H54 120.1 . .
C56 C55 C54 120.1(6) . .
C56 C55 H55 120.0 . .
C54 C55 H55 120.0 . .
C55 C56 C57 116.4(7) . .
C55 C56 C58 123.9(7) . .
C57 C56 C58 119.7(7) . .
N10 C57 C56 124.2(6) . .
N10 C57 H57 117.9 . .
C56 C57 H57 117.9 . .
C56 C58 H58A 109.5 . .
C56 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C56 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C49 C59 H59A 109.5 . .
C49 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C49 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C26 C95 H95A 108.8 . .
C26 C95 H95B 109.1 . .
H95A C95 H95B 109.5 . .
C26 C95 H95C 110.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
C1 N1 C5 118.4(5) . .
C1 N1 Ag1 124.5(4) . .
C5 N1 Ag1 117.1(4) . .
C10 N2 C6 117.7(5) . .
C10 N2 Ag1 125.3(4) . .
C6 N2 Ag1 114.9(4) . .
C13 N3 C17 116.9(5) . .
C13 N3 Ag1 115.6(4) . .
C17 N3 Ag1 127.2(4) . .
C22 N4 C18 118.5(5) . .
C22 N4 Ag2 116.0(4) . .
C18 N4 Ag2 125.3(4) . .
C25 N5 C29 118.6(5) . .
C25 N5 Ag2 123.8(4) . .
C29 N5 Ag2 117.5(4) . .
C34 N6 C30 118.5(5) . .
C34 N6 Ag2 126.8(4) . .
C30 N6 Ag2 114.8(4) . .
C36 N7 C40 119.1(6) . .
C36 N7 Ag3 124.1(4) . .
C40 N7 Ag3 113.5(4) . .
C45 N8 C41 118.1(5) . .
C45 N8 Ag3 123.4(4) . .
C41 N8 Ag3 117.3(4) . .
C48 N9 C52 118.9(6) . .
C48 N9 Ag3 121.7(4) . .
C52 N9 Ag3 115.5(4) . .
C57 N10 C53 119.1(5) . .
C57 N10 Ag3 123.9(4) . .
C53 N10 Ag3 114.6(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O5 1.664(5) .
W1 O4 1.913(4) .
W1 O3 1.917(4) .
W1 O2 1.915(5) .
W1 O1 1.923(4) .
W1 O11 2.298(4) .
W2 O6 1.682(4) .
W2 O10 1.909(4) .
W2 O8 1.911(4) .
W2 O7 1.918(4) .
W2 O1 1.917(4) .
W2 O11 2.313(3) .
W3 O9 1.680(5) .
W3 O2 1.892(4) .
W3 O8 1.905(4) .
W3 O19 1.920(4) .
W3 O16 1.942(4) .
W3 O11 2.308(4) .
W4 O12 1.705(4) .
W4 O4 1.911(4) .
W4 O15 1.913(4) .
W4 O13 1.924(4) .
W4 O7 1.926(4) .
W4 O11 2.303(4) .
W6 O18 1.699(4) .
W6 O19 1.909(4) .
W6 O17 1.923(4) .
W6 O10 1.929(4) .
W6 O15 1.934(4) .
W6 O11 2.307(4) .
W5 O14 1.718(4) .
W5 O16 1.894(4) .
W5 O3 1.910(5) .
W5 O13 1.923(4) .
W5 O17 1.928(5) .
W5 O11 2.310(3) .
Ag1 N3 2.233(5) .
Ag1 N1 2.298(5) .
Ag1 N2 2.331(5) .
Ag1 O1 2.471(4) .
Ag1 Ag2 2.9934(8) .
Ag2 N4 2.191(4) .
Ag2 N5 2.268(5) .
Ag2 N6 2.341(5) .
Ag2 Ag3 3.1959(9) .
Ag3 N8 2.249(5) .
Ag3 N9 2.284(5) .
Ag3 N10 2.332(5) .
Ag3 N7 2.365(5) .
C1 N1 1.333(8) .
C1 C2 1.378(9) .
C1 H1 0.9300 .
C2 C3 1.378(9) .
C2 C12 1.513(8) .
C3 C4 1.377(8) .
C3 H3 0.9300 .
C4 C5 1.386(8) .
C4 H4 0.9300 .
C5 N1 1.352(7) .
C5 C6 1.494(8) .
C6 N2 1.353(7) .
C6 C7 1.387(8) .
C7 C8 1.383(9) .
C7 H7 0.9300 .
C8 C9 1.380(9) .
C8 H8 0.9300 .
C9 C10 1.373(9) .
C9 C11 1.515(9) .
C10 N2 1.346(7) .
C10 H10 0.9300 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 N3 1.327(8) .
C13 C14 1.382(9) .
C13 H13 0.9300 .
C14 C15 1.359(10) .
C14 C24 1.503(9) .
C15 C16 1.386(10) .
C15 H15 0.9300 .
C16 C17 1.363(9) .
C16 H16 0.9300 .
C17 N3 1.359(8) .
C17 C18 1.488(8) .
C18 N4 1.348(7) .
C18 C19 1.393(8) .
C19 C20 1.375(10) .
C19 H19 0.9300 .
C20 C21 1.383(10) .
C20 H20 0.9300 .
C21 C22 1.392(8) .
C21 C23 1.522(10) .
C22 N4 1.348(8) .
C22 H22 0.9300 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 N5 1.333(8) .
C25 C26 1.391(9) .
C25 H25 0.9300 .
C26 C27 1.372(10) .
C26 C95 1.505(10) .
C27 C28 1.381(10) .
C27 H27 0.9300 .
C28 C29 1.371(8) .
C28 H28 0.9300 .
C29 N5 1.346(7) .
C29 C30 1.475(9) .
C30 N6 1.364(7) .
C30 C31 1.383(9) .
C31 C32 1.365(10) .
C31 H31 0.9300 .
C32 C33 1.383(9) .
C32 H32 0.9300 .
C33 C34 1.387(9) .
C33 C35 1.505(10) .
C34 N6 1.335(8) .
C34 H34 0.9300 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 N7 1.331(9) .
C36 C37 1.394(9) .
C36 H36 0.9300 .
C37 C38 1.376(10) .
C37 C47 1.502(11) .
C38 C39 1.384(10) .
C38 H38 0.9300 .
C39 C40 1.394(9) .
C39 H39 0.9300 .
C40 N7 1.337(8) .
C40 C41 1.481(9) .
C41 N8 1.337(8) .
C41 C42 1.385(9) .
C42 C43 1.370(10) .
C42 H42 0.9300 .
C43 C44 1.384(10) .
C43 H43 0.9300 .
C44 C45 1.370(9) .
C44 C46 1.506(10) .
C45 N8 1.329(8) .
C45 H45 0.9300 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 N9 1.313(8) .
C48 C49 1.373(10) .
C48 H48 0.9300 .
C49 C50 1.394(10) .
C49 C59 1.505(10) .
C50 C51 1.384(10) .
C50 H50 0.9300 .
C51 C52 1.377(9) .
C51 H51 0.9300 .
C52 N9 1.345(8) .
C52 C53 1.484(9) .
C53 N10 1.335(8) .
C53 C54 1.389(8) .
C54 C55 1.387(10) .
C54 H54 0.9300 .
C55 C56 1.370(10) .
C55 H55 0.9300 .
C56 C57 1.394(9) .
C56 C58 1.488(11) .
C57 N10 1.329(8) .
C57 H57 0.9300 .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C95 H95A 0.9600 .
C95 H95B 0.9600 .
C95 H95C 0.9600 .
