#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:13:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180495 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/64/7216435.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_7216435
loop_
_publ_author_name
'Hu, Hailiang'
'Zhang, Weisong'
'Gong, Jingjing'
'Dong, Huan'
'Zhao, Fangfang'
'Huang, Hui'
'Liu, Yang'
'Zhang, Guangju'
'Kang, Zhenhui'
_publ_section_title
;
 Can tetrazole-functionalized ligands realize the role-control of
 Keggin-type POMs in hybrid frameworks?
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              5642
_journal_paper_doi               10.1039/c4ce00293h
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety
'O40 P W12, C13 H20 Ag3 N16 (H2O)2 S4, 4(H2O)'
_chemical_formula_sum            'C13 H32 Ag3 N16 O46 P S4 W12'
_chemical_formula_weight         3837.47
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 131.755(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.274(3)
_cell_length_b                   16.737(3)
_cell_length_c                   26.438(3)
_cell_measurement_reflns_used    7850
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.182
_cell_measurement_theta_min      2.9985
_cell_volume                     6032.2(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            40606
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    24.004
_exptl_absorpt_correction_T_max  0.1233
_exptl_absorpt_correction_T_min  0.1233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6744
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.015
_refine_diff_density_min         -2.473
_refine_diff_density_rms         0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     884
_refine_ls_number_reflns         10554
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0254P)²+26.6005P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0689
_reflns_number_gt                8083
_reflns_number_total             10554
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00293h2.cif
_cod_data_source_block           4
_cod_original_cell_volume        6032.2(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7216435
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
W1 W 0.64899(3) 1.24017(3) 0.79353(2) 0.02157(11) Uani 1 1 d .
W2 W 0.56330(3) 1.11400(3) 0.66092(2) 0.02609(11) Uani 1 1 d .
W3 W 0.76817(3) 1.06361(3) 0.82390(2) 0.02296(11) Uani 1 1 d .
W4 W 0.88258(3) 1.34749(3) 0.88350(2) 0.02018(10) Uani 1 1 d .
W5 W 0.66424(3) 1.40650(3) 0.70896(2) 0.02311(11) Uani 1 1 d .
W6 W 0.57389(3) 1.28192(3) 0.57565(2) 0.02692(12) Uani 1 1 d .
W7 W 0.70136(3) 1.09233(3) 0.60513(2) 0.02938(12) Uani 1 1 d .
W8 W 0.90431(3) 1.03717(3) 0.76646(2) 0.02376(11) Uani 1 1 d .
W9 W 1.00044(3) 1.17215(3) 0.90981(2) 0.02317(11) Uani 1 1 d .
W10 W 1.00902(3) 1.32983(3) 0.83068(2) 0.02612(12) Uani 1 1 d .
W11 W 0.78921(4) 1.38302(3) 0.65464(2) 0.02906(12) Uani 1 1 d .
W12 W 0.91871(3) 1.19336(3) 0.68950(2) 0.03020(12) Uani 1 1 d .
P1 P 0.78484(17) 1.22188(17) 0.74178(12) 0.0126(5) Uani 1 1 d .
Ag1 Ag 0.53360(7) 0.91178(7) 0.72971(5) 0.0450(3) Uani 1 1 d .
Ag2 Ag 1.35861(7) 0.68658(7) 1.05055(6) 0.0465(3) Uani 1 1 d .
Ag3 Ag 1.40037(12) 0.92240(12) 1.10791(10) 0.0821(6) Uani 0.80 1 d P
Ag3' Ag 1.3795(5) 0.9191(5) 1.0401(5) 0.100(3) Uani 0.20 1 d P
S1 S 0.6536(2) 0.7463(2) 0.83279(17) 0.0425(9) Uani 1 1 d .
S2 S 0.97454(19) 0.83000(19) 0.92012(15) 0.0317(7) Uani 1 1 d .
S3 S 0.7790(2) 0.8419(2) 0.76643(15) 0.0391(8) Uani 1 1 d .
S4 S 0.8459(2) 0.5968(2) 0.93795(16) 0.0404(8) Uani 1 1 d .
N1 N 0.6037(6) 0.8962(7) 0.8396(5) 0.033(3) Uani 1 1 d .
N2 N 0.6126(8) 0.9394(8) 0.8874(6) 0.049(3) Uani 1 1 d .
N3 N 0.6464(8) 0.8948(9) 0.9394(5) 0.050(3) Uani 1 1 d .
N4 N 0.6614(7) 0.8240(8) 0.9277(5) 0.047(3) Uani 1 1 d .
N5 N 1.1472(6) 0.7486(6) 0.9799(4) 0.025(2) Uani 1 1 d .
N6 N 1.2403(6) 0.7736(6) 1.0122(5) 0.030(2) Uani 1 1 d .
N7 N 1.2482(6) 0.8503(6) 1.0156(5) 0.030(2) Uani 1 1 d .
N8 N 1.1579(6) 0.8783(6) 0.9850(4) 0.027(2) Uani 1 1 d .
N9 N 0.5771(7) 0.8590(6) 0.6704(5) 0.030(2) Uani 1 1 d .
N10 N 0.5083(7) 0.8611(7) 0.6026(5) 0.036(3) Uani 1 1 d .
N11 N 0.5468(7) 0.8548(7) 0.5759(4) 0.034(3) Uani 1 1 d .
N12 N 0.6437(6) 0.8471(6) 0.6282(4) 0.027(2) Uani 1 1 d .
N13 N 0.6717(7) 0.5138(6) 0.8492(5) 0.034(2) Uani 1 1 d .
N14 N 0.6308(7) 0.4516(6) 0.8568(5) 0.033(2) Uani 1 1 d .
N15 N 0.6865(7) 0.4298(6) 0.9192(5) 0.034(2) Uani 1 1 d .
N16 N 0.7668(7) 0.4768(6) 0.9546(5) 0.027(2) Uani 1 1 d .
C1 C 0.8241(7) 0.7181(7) 0.8567(5) 0.022(2) Uani 1 1 d .
C2 C 0.7824(7) 0.7690(7) 0.8797(6) 0.028(3) Uani 1 1 d .
H2A H 0.7886 0.8250 0.8735 0.034 Uiso 1 1 calc R
H2B H 0.8202 0.7601 0.9277 0.034 Uiso 1 1 calc R
C3 C 0.9360(7) 0.7261(7) 0.9063(5) 0.024(3) Uani 1 1 d .
H3A H 0.9608 0.6972 0.8886 0.029 Uiso 1 1 calc R
H3B H 0.9640 0.7021 0.9493 0.029 Uiso 1 1 calc R
C4 C 0.7777(8) 0.7356(7) 0.7831(5) 0.028(3) Uani 1 1 d .
H4A H 0.7104 0.7169 0.7522 0.034 Uiso 1 1 calc R
H4B H 0.8129 0.7056 0.7737 0.034 Uiso 1 1 calc R
C5 C 0.8038(8) 0.6272(7) 0.8567(5) 0.027(3) Uani 1 1 d .
H5A H 0.8370 0.5958 0.8463 0.033 Uiso 1 1 calc R
H5B H 0.7340 0.6170 0.8217 0.033 Uiso 1 1 calc R
C6 C 0.6377(8) 0.8250(9) 0.8679(6) 0.034(3) Uani 1 1 d .
C7 C 0.7004(9) 0.7580(10) 0.9766(7) 0.057(4) Uani 1 1 d .
H7A H 0.6763 0.7628 0.9994 0.086 Uiso 1 1 calc R
H7B H 0.7708 0.7603 1.0092 0.086 Uiso 1 1 calc R
H7C H 0.6795 0.7079 0.9529 0.086 Uiso 1 1 calc R
C8 C 1.0980(8) 0.8158(7) 0.9628(6) 0.028(3) Uani 1 1 d .
C9 C 1.1370(9) 0.9634(7) 0.9776(7) 0.043(3) Uani 1 1 d .
H9A H 1.1344 0.9802 1.0111 0.065 Uiso 1 1 calc R
H9B H 1.0750 0.9738 0.9331 0.065 Uiso 1 1 calc R
H9C H 1.1877 0.9923 0.9837 0.065 Uiso 1 1 calc R
C10 C 0.6621(8) 0.8495(7) 0.6857(6) 0.030(3) Uani 1 1 d .
C11 C 0.7085(10) 0.8388(9) 0.6155(7) 0.052(4) Uani 1 1 d .
H11A H 0.7203 0.7832 0.6146 0.078 Uiso 1 1 calc R
H11B H 0.7695 0.8651 0.6508 0.078 Uiso 1 1 calc R
H11C H 0.6790 0.8627 0.5726 0.078 Uiso 1 1 calc R
C12 C 0.7579(8) 0.5261(7) 0.9117(6) 0.027(3) Uani 1 1 d .
C13 C 0.8468(9) 0.4672(9) 1.0281(5) 0.041(3) Uani 1 1 d .
H13A H 0.8457 0.5109 1.0511 0.061 Uiso 1 1 calc R
H13B H 0.9085 0.4665 1.0391 0.061 Uiso 1 1 calc R
H13C H 0.8383 0.4178 1.0422 0.061 Uiso 1 1 calc R
O1 O 0.7201(5) 1.1796(4) 0.7507(3) 0.0187(16) Uani 1 1 d .
O2 O 0.8768(4) 1.2533(4) 0.8106(3) 0.0184(16) Uani 1 1 d .
O3 O 0.7277(5) 1.2917(4) 0.6924(3) 0.0201(16) Uani 1 1 d .
O4 O 0.8140(5) 1.1639(5) 0.7135(3) 0.0220(17) Uani 1 1 d .
O6 O 0.4531(5) 1.0692(5) 0.6088(4) 0.039(2) Uani 1 1 d .
O7 O 0.7827(6) 0.9851(5) 0.8697(4) 0.036(2) Uani 1 1 d .
O8 O 0.5485(5) 1.1799(5) 0.7143(4) 0.0282(18) Uani 1 1 d .
O9 O 0.6385(5) 1.0431(5) 0.7370(4) 0.0299(19) Uani 1 1 d .
O10 O 0.7066(5) 1.1394(5) 0.8397(4) 0.0257(18) Uani 1 1 d .
O11 O 0.7751(5) 1.2865(5) 0.8587(3) 0.0241(17) Uani 1 1 d .
O12 O 0.6233(5) 1.3260(5) 0.7379(3) 0.0244(17) Uani 1 1 d .
O13 O 0.5400(5) 1.2086(5) 0.6126(4) 0.033(2) Uani 1 1 d .
O14 O 0.6276(5) 1.0759(5) 0.6327(4) 0.0308(19) Uani 1 1 d .
O15 O 0.8207(5) 1.0275(5) 0.7852(4) 0.0271(18) Uani 1 1 d .
O16 O 0.8881(5) 1.1199(4) 0.8865(3) 0.0227(17) Uani 1 1 d .
O17 O 0.9065(5) 1.4093(5) 0.9428(4) 0.0287(18) Uani 1 1 d .
O18 O 0.7860(5) 1.4026(5) 0.7996(3) 0.0245(18) Uani 1 1 d .
O19 O 0.6127(6) 1.4913(5) 0.7072(4) 0.036(2) Uani 1 1 d .
O20 O 0.5633(5) 1.3681(5) 0.6182(4) 0.0284(18) Uani 1 1 d .
O21 O 0.4670(6) 1.2916(6) 0.4947(4) 0.041(2) Uani 1 1 d .
O22 O 0.6357(5) 1.1924(5) 0.5719(3) 0.032(2) Uani 1 1 d .
O23 O 0.6405(6) 1.0367(6) 0.5340(4) 0.047(2) Uani 1 1 d .
O24 O 0.7943(5) 1.0160(5) 0.6738(4) 0.032(2) Uani 1 1 d .
O25 O 0.9652(6) 0.9495(5) 0.7942(4) 0.036(2) Uani 1 1 d .
O26 O 0.9841(5) 1.1011(5) 0.8471(3) 0.0249(18) Uani 1 1 d .
O27 O 1.0964(5) 1.1312(5) 0.9849(4) 0.032(2) Uani 1 1 d .
O28 O 0.9695(5) 1.2623(5) 0.9383(3) 0.0260(18) Uani 1 1 d .
O29 O 0.9775(5) 1.3823(5) 0.8781(4) 0.0272(18) Uani 1 1 d .
O30 O 0.7276(5) 1.4459(5) 0.6790(4) 0.0274(18) Uani 1 1 d .
O31 O 0.6587(6) 1.3493(5) 0.5759(4) 0.033(2) Uani 1 1 d .
O32 O 0.8061(6) 1.1365(5) 0.6133(4) 0.036(2) Uani 1 1 d .
O33 O 0.9614(5) 1.0937(5) 0.7368(4) 0.033(2) Uani 1 1 d .
O34 O 1.0668(5) 1.2466(5) 0.8979(3) 0.0289(19) Uani 1 1 d .
O35 O 0.9042(5) 1.3823(5) 0.7491(4) 0.0307(19) Uani 1 1 d .
O36 O 0.8398(5) 1.2882(5) 0.6490(4) 0.031(2) Uani 1 1 d .
O37 O 0.9938(5) 1.2500(5) 0.7727(4) 0.0314(19) Uani 1 1 d .
O38 O 1.1087(6) 1.3821(6) 0.8585(4) 0.045(2) Uani 1 1 d .
O39 O 0.8123(6) 1.4541(5) 0.6217(4) 0.039(2) Uani 1 1 d .
O40 O 0.9896(6) 1.1974(6) 0.6694(4) 0.049(3) Uani 1 1 d .
O1W O 1.5118(16) 0.9275(10) 1.2322(10) 0.064(5) Uani 0.70 1 d P
O1W' O 1.520(4) 0.888(3) 1.220(3) 0.064(5) Uani 0.30 1 d P
O2W O 1.516(3) 0.826(2) 1.1231(17) 0.142(16) Uani 0.50 1 d P
O2W' O 1.4657(18) 0.8457(18) 1.0777(14) 0.082(9) Uani 0.50 1 d P
O3W O 0.6626(12) 0.6261(10) 0.6431(7) 0.127(6) Uani 1 1 d .
O4W O 0.8010(13) 0.6355(12) 0.6230(10) 0.163(7) Uani 1 1 d .
O5W O 1.429(2) 1.0126(18) 1.0033(16) 0.164(13) Uani 0.70 1 d P
O5W' O 1.455(6) 0.951(4) 1.039(4) 0.164(13) Uani 0.30 1 d P
O6W O 0.900(2) 0.5548(16) 0.7946(14) 0.242(13) Uani 1 1 d .
O5 O 0.5903(5) 1.2671(5) 0.8211(4) 0.032(2) 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O5 W1 O12 103.4(4) . .
O5 W1 O11 103.5(3) . .
O12 W1 O11 85.3(3) . .
O5 W1 O8 100.9(3) . .
O12 W1 O8 89.3(3) . .
O11 W1 O8 155.6(3) . .
O5 W1 O10 101.1(3) . .
O12 W1 O10 155.5(3) . .
O11 W1 O10 87.8(3) . .
O8 W1 O10 87.3(3) . .
O5 W1 O1 170.3(3) . .
O12 W1 O1 83.5(3) . .
O11 W1 O1 83.7(3) . .
O8 W1 O1 72.0(3) . .
O10 W1 O1 72.3(3) . .
O6 W2 O14 104.4(4) . .
O6 W2 O13 102.2(4) . .
O14 W2 O13 86.3(3) . .
O6 W2 O9 102.4(4) . .
O14 W2 O9 90.3(3) . .
O13 W2 O9 155.3(3) . .
O6 W2 O8 100.3(4) . .
O14 W2 O8 155.2(3) . .
O13 W2 O8 86.4(3) . .
O9 W2 O8 86.5(3) . .
O6 W2 O1 170.2(3) . .
O14 W2 O1 84.3(3) . .
O13 W2 O1 82.6(3) . .
O9 W2 O1 72.6(3) . .
O8 W2 O1 71.3(3) . .
O7 W3 O16 102.9(4) . .
O7 W3 O15 104.1(4) . .
O16 W3 O15 85.6(3) . .
O7 W3 O10 101.2(3) . .
O16 W3 O10 89.2(3) . .
O15 W3 O10 154.7(3) . .
O7 W3 O9 101.4(4) . .
O16 W3 O9 155.7(3) . .
O15 W3 O9 87.9(3) . .
O10 W3 O9 86.8(3) . .
O7 W3 O1 170.7(3) . .
O16 W3 O1 83.9(3) . .
O15 W3 O1 82.7(3) . .
O10 W3 O1 72.2(3) . .
O9 W3 O1 72.1(3) . .
O17 W4 O28 100.7(3) . .
O17 W4 O11 102.7(3) . .
O28 W4 O11 90.4(3) . .
O17 W4 O18 104.6(3) . .
O28 W4 O18 154.7(3) . .
O11 W4 O18 85.1(3) . .
O17 W4 O29 101.3(3) . .
O28 W4 O29 87.0(3) . .
O11 W4 O29 155.9(3) . .
O18 W4 O29 87.1(3) . .
O17 W4 O2 170.6(3) . .
O28 W4 O2 72.0(3) . .
O11 W4 O2 83.6(3) . .
O18 W4 O2 82.7(3) . .
O29 W4 O2 72.8(3) . .
O19 W5 O18 103.2(4) . .
O19 W5 O30 100.4(4) . .
O18 W5 O30 90.6(3) . .
O19 W5 O20 101.1(4) . .
O18 W5 O20 155.6(3) . .
O30 W5 O20 86.6(3) . .
O19 W5 O12 104.0(4) . .
O18 W5 O12 85.0(3) . .
O30 W5 O12 155.6(3) . .
O20 W5 O12 87.6(3) . .
O19 W5 O3 170.1(3) . .
O18 W5 O3 84.3(3) . .
O30 W5 O3 72.8(3) . .
O20 W5 O3 71.7(3) . .
O12 W5 O3 82.9(3) . .
O21 W6 O13 102.4(4) . .
O21 W6 O31 101.4(4) . .
O13 W6 O31 156.2(3) . .
O21 W6 O20 100.9(4) . .
O13 W6 O20 89.4(3) . .
O31 W6 O20 87.3(3) . .
O21 W6 O22 103.4(4) . .
O13 W6 O22 85.8(3) . .
O31 W6 O22 87.6(3) . .
O20 W6 O22 155.7(3) . .
O21 W6 O3 170.6(4) . .
O13 W6 O3 83.6(3) . .
O31 W6 O3 73.0(3) . .
O20 W6 O3 71.7(3) . .
O22 W6 O3 84.0(3) . .
O23 W7 O22 103.1(4) . .
O23 W7 O32 101.8(4) . .
O22 W7 O32 89.3(3) . .
O23 W7 O24 101.3(4) . .
O22 W7 O24 155.5(3) . .
O32 W7 O24 87.8(3) . .
O23 W7 O14 103.5(4) . .
O22 W7 O14 85.1(3) . .
O32 W7 O14 154.6(3) . .
O24 W7 O14 87.1(3) . .
O23 W7 O4 170.7(3) . .
O22 W7 O4 83.7(3) . .
O32 W7 O4 71.6(3) . .
O24 W7 O4 72.3(3) . .
O14 W7 O4 83.2(3) . .
O25 W8 O24 102.9(4) . .
O25 W8 O15 103.0(4) . .
O24 W8 O15 88.7(3) . .
O25 W8 O26 102.1(3) . .
O24 W8 O26 155.0(3) . .
O15 W8 O26 84.6(3) . .
O25 W8 O33 103.0(4) . .
O24 W8 O33 87.8(3) . .
O15 W8 O33 153.9(3) . .
O26 W8 O33 87.8(3) . .
O25 W8 O4 172.7(3) . .
O24 W8 O4 72.3(3) . .
O15 W8 O4 82.6(3) . .
O26 W8 O4 83.0(3) . .
O33 W8 O4 71.7(3) . .
O27 W9 O26 102.1(3) . .
O27 W9 O34 100.5(4) . .
O26 W9 O34 90.7(3) . .
O27 W9 O16 104.2(4) . .
O26 W9 O16 85.5(3) . .
O34 W9 O16 155.3(3) . .
O27 W9 O28 101.7(3) . .
O26 W9 O28 156.2(3) . .
O34 W9 O28 86.5(3) . .
O16 W9 O28 87.3(3) . .
O27 W9 O2 170.0(3) . .
O26 W9 O2 85.1(3) . .
O34 W9 O2 72.2(3) . .
O16 W9 O2 83.2(3) . .
O28 W9 O2 71.5(3) . .
O38 W10 O35 103.6(4) . .
O38 W10 O29 100.7(4) . .
O35 W10 O29 90.9(3) . .
O38 W10 O37 104.5(4) . .
O35 W10 O37 85.1(3) . .
O29 W10 O37 154.7(3) . .
O38 W10 O34 101.7(4) . .
O35 W10 O34 154.5(3) . .
O29 W10 O34 87.0(3) . .
O37 W10 O34 86.1(3) . .
O38 W10 O2 170.2(3) . .
O35 W10 O2 83.8(3) . .
O29 W10 O2 72.5(3) . .
O37 W10 O2 82.2(3) . .
O34 W10 O2 71.3(3) . .
O39 W11 O36 104.3(4) . .
O39 W11 O35 104.1(4) . .
O36 W11 O35 85.9(3) . .
O39 W11 O31 101.7(4) . .
O36 W11 O31 89.3(3) . .
O35 W11 O31 154.1(3) . .
O39 W11 O30 101.0(4) . .
O36 W11 O30 154.7(3) . .
O35 W11 O30 86.9(3) . .
O31 W11 O30 86.8(3) . .
O39 W11 O3 169.8(3) . .
O36 W11 O3 83.7(3) . .
O35 W11 O3 82.4(3) . .
O31 W11 O3 71.8(3) . .
O30 W11 O3 71.3(3) . .
O40 W12 O37 103.3(4) . .
O40 W12 O33 100.1(4) . .
O37 W12 O33 90.7(3) . .
O40 W12 O32 101.6(4) . .
O37 W12 O32 155.1(3) . .
O33 W12 O32 86.5(3) . .
O40 W12 O36 103.8(4) . .
O37 W12 O36 85.9(3) . .
O33 W12 O36 156.0(3) . .
O32 W12 O36 86.7(3) . .
O40 W12 O4 170.4(4) . .
O37 W12 O4 83.5(3) . .
O33 W12 O4 72.7(3) . .
O32 W12 O4 72.1(3) . .
O36 W12 O4 83.4(3) . .
O4 P1 O1 110.0(4) . .
O4 P1 O2 109.7(4) . .
O1 P1 O2 109.0(4) . .
O4 P1 O3 109.4(4) . .
O1 P1 O3 109.0(4) . .
O2 P1 O3 109.7(4) . .
N1 Ag1 N9 130.9(3) . .
N1 Ag1 N14 122.7(3) . 2_656
N9 Ag1 N14 103.8(3) . 2_656
N1 Ag1 O9 102.8(3) . .
N9 Ag1 O9 79.8(3) . .
N14 Ag1 O9 102.4(3) 2_656 .
N6 Ag2 N10 159.7(4) . 4_676
N6 Ag2 N15 103.6(3) . 3_767
N10 Ag2 N15 93.2(4) 4_676 3_767
O2W' Ag3 O1W' 92.5(14) . .
O2W' Ag3 N2 133.3(9) . 3_777
O1W' Ag3 N2 102.7(11) . 3_777
O2W' Ag3 O1W 109.5(9) . .
O1W' Ag3 O1W 18.7(11) . .
N2 Ag3 O1W 85.3(5) 3_777 .
O2W' Ag3 O2W 22.9(9) . .
O1W' Ag3 O2W 69.6(15) . .
N2 Ag3 O2W 138.3(11) 3_777 .
O1W Ag3 O2W 87.0(9) . .
O2W' Ag3 N7 83.3(7) . .
O1W' Ag3 N7 129.2(12) . .
N2 Ag3 N7 116.7(4) 3_777 .
O1W Ag3 N7 136.3(5) . .
O2W Ag3 N7 96.7(9) . .
O5W' Ag3' O2W' 76(3) . .
O5W' Ag3' O5W 30(4) . .
O2W' Ag3' O5W 105.2(14) . .
C6 S1 C2 94.5(5) . .
C8 S2 C3 99.3(5) . .
C10 S3 C4 99.3(5) . .
C12 S4 C5 99.8(5) . .
C6 N1 N2 103.3(10) . .
C6 N1 Ag1 118.6(8) . .
N2 N1 Ag1 137.5(9) . .
N3 N2 N1 110.6(12) . .
N3 N2 Ag3 120.3(10) . 3_777
N1 N2 Ag3 128.2(9) . 3_777
N4 N3 N2 107.4(11) . .
N3 N4 C6 108.5(13) . .
N3 N4 C7 122.0(12) . .
C6 N4 C7 129.5(14) . .
C8 N5 N6 103.6(9) . .
N7 N6 N5 112.5(9) . .
N7 N6 Ag2 126.4(7) . .
N5 N6 Ag2 121.0(7) . .
N6 N7 N8 105.6(9) . .
N6 N7 Ag3 123.8(7) . .
N8 N7 Ag3 123.0(8) . .
C8 N8 N7 108.0(10) . .
C8 N8 C9 130.0(10) . .
N7 N8 C9 121.9(10) . .
C10 N9 N10 105.9(9) . .
C10 N9 Ag1 133.5(8) . .
N10 N9 Ag1 116.8(7) . .
N11 N10 N9 111.3(9) . .
N11 N10 Ag2 121.5(7) . 4_475
N9 N10 Ag2 119.1(7) . 4_475
N10 N11 N12 105.7(8) . .
C10 N12 N11 109.4(9) . .
C10 N12 C11 130.8(10) . .
N11 N12 C11 119.8(10) . .
C12 N13 N14 104.2(9) . .
N15 N14 N13 111.1(9) . .
N15 N14 Ag1 124.9(8) . 2_646
N13 N14 Ag1 122.7(8) . 2_646
N14 N15 N16 106.8(9) . .
N14 N15 Ag2 119.6(7) . 3_767
N16 N15 Ag2 133.3(8) . 3_767
C12 N16 N15 108.3(9) . .
C12 N16 C13 130.6(10) . .
N15 N16 C13 121.2(10) . .
C2 C1 C3 110.3(9) . .
C2 C1 C4 113.4(9) . .
C3 C1 C4 111.2(9) . .
C2 C1 C5 111.4(9) . .
C3 C1 C5 105.4(9) . .
C4 C1 C5 104.6(9) . .
C1 C2 S1 112.0(8) . .
C1 C2 H2A 109.2 . .
S1 C2 H2A 109.2 . .
C1 C2 H2B 109.2 . .
S1 C2 H2B 109.2 . .
H2A C2 H2B 107.9 . .
C1 C3 S2 111.9(7) . .
C1 C3 H3A 109.2 . .
S2 C3 H3A 109.2 . .
C1 C3 H3B 109.2 . .
S2 C3 H3B 109.2 . .
H3A C3 H3B 107.9 . .
C1 C4 S3 113.7(8) . .
C1 C4 H4A 108.8 . .
S3 C4 H4A 108.8 . .
C1 C4 H4B 108.8 . .
S3 C4 H4B 108.8 . .
H4A C4 H4B 107.7 . .
C1 C5 S4 111.1(8) . .
C1 C5 H5A 109.4 . .
S4 C5 H5A 109.4 . .
C1 C5 H5B 109.4 . .
S4 C5 H5B 109.4 . .
H5A C5 H5B 108.0 . .
N1 C6 N4 110.1(12) . .
N1 C6 S1 124.1(9) . .
N4 C6 S1 125.8(11) . .
N4 C7 H7A 109.5 . .
N4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
N4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N5 C8 N8 110.1(9) . .
N5 C8 S2 129.3(9) . .
N8 C8 S2 120.6(9) . .
N8 C9 H9A 109.5 . .
N8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N12 C10 N9 107.7(10) . .
N12 C10 S3 124.7(8) . .
N9 C10 S3 127.6(9) . .
N12 C11 H11A 109.5 . .
N12 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N12 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N16 C12 N13 109.6(10) . .
N16 C12 S4 122.2(9) . .
N13 C12 S4 128.1(9) . .
N16 C13 H13A 109.5 . .
N16 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
N16 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
P1 O1 W1 125.9(4) . .
P1 O1 W2 125.8(4) . .
W1 O1 W2 89.8(2) . .
P1 O1 W3 125.5(4) . .
W1 O1 W3 89.1(2) . .
W2 O1 W3 89.0(2) . .
P1 O2 W9 125.8(4) . .
P1 O2 W4 126.7(4) . .
W9 O2 W4 89.3(2) . .
P1 O2 W10 125.4(4) . .
W9 O2 W10 89.1(2) . .
W4 O2 W10 88.5(2) . .
P1 O3 W5 125.9(4) . .
P1 O3 W6 125.9(4) . .
W5 O3 W6 89.7(2) . .
P1 O3 W11 125.5(4) . .
W5 O3 W11 89.1(2) . .
W6 O3 W11 88.9(2) . .
P1 O4 W12 126.3(4) . .
P1 O4 W7 126.1(4) . .
W12 O4 W7 89.3(2) . .
P1 O4 W8 126.1(4) . .
W12 O4 W8 88.7(2) . .
W7 O4 W8 88.1(2) . .
W1 O8 W2 126.8(4) . .
W2 O9 W3 126.2(4) . .
W2 O9 Ag1 115.4(3) . .
W3 O9 Ag1 117.1(3) . .
W3 O10 W1 126.3(4) . .
W1 O11 W4 152.3(4) . .
W1 O12 W5 152.1(4) . .
W2 O13 W6 151.3(4) . .
W2 O14 W7 151.8(5) . .
W8 O15 W3 153.0(5) . .
W3 O16 W9 151.1(4) . .
W5 O18 W4 151.7(5) . .
W5 O20 W6 126.7(4) . .
W7 O22 W6 151.3(4) . .
W8 O24 W7 127.1(4) . .
W9 O26 W8 152.0(4) . .
W4 O28 W9 127.1(4) . .
W10 O29 W4 126.2(4) . .
W5 O30 W11 126.8(4) . .
W6 O31 W11 126.3(4) . .
W12 O32 W7 126.9(4) . .
W12 O33 W8 126.9(4) . .
W9 O34 W10 127.3(3) . .
W10 O35 W11 152.6(5) . .
W11 O36 W12 151.0(4) . .
W12 O37 W10 152.5(4) . .
Ag3' O2W' Ag3 44.4(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O5 1.709(7) .
W1 O12 1.878(7) .
W1 O11 1.895(7) .
W1 O8 1.912(7) .
W1 O10 1.931(8) .
W1 O1 2.439(7) .
W2 O6 1.680(7) .
W2 O14 1.874(8) .
W2 O13 1.896(8) .
W2 O9 1.913(8) .
W2 O8 1.945(8) .
W2 O1 2.448(7) .
W3 O7 1.685(8) .
W3 O16 1.897(7) .
W3 O15 1.908(7) .
W3 O10 1.918(7) .
W3 O9 1.940(8) .
W3 O1 2.454(7) .
W4 O17 1.675(7) .
W4 O28 1.895(8) .
W4 O11 1.901(7) .
W4 O18 1.917(7) .
W4 O29 1.922(7) .
W4 O2 2.437(7) .
W5 O19 1.686(8) .
W5 O18 1.896(7) .
W5 O30 1.903(7) .
W5 O20 1.917(7) .
W5 O12 1.930(7) .
W5 O3 2.429(7) .
W6 O21 1.690(8) .
W6 O13 1.911(8) .
W6 O31 1.914(8) .
W6 O20 1.918(8) .
W6 O22 1.918(8) .
W6 O3 2.429(7) .
W7 O23 1.690(8) .
W7 O22 1.901(8) .
W7 O32 1.924(8) .
W7 O24 1.925(8) .
W7 O14 1.932(8) .
W7 O4 2.454(7) .
W8 O25 1.686(8) .
W8 O24 1.900(7) .
W8 O15 1.901(7) .
W8 O26 1.916(7) .
W8 O33 1.921(8) .
W8 O4 2.471(7) .
W9 O27 1.687(7) .
W9 O26 1.896(7) .
W9 O34 1.906(8) .
W9 O16 1.916(7) .
W9 O28 1.932(7) .
W9 O2 2.437(7) .
W10 O38 1.685(8) .
W10 O35 1.895(8) .
W10 O29 1.908(7) .
W10 O37 1.910(8) .
W10 O34 1.928(8) .
W10 O2 2.460(7) .
W11 O39 1.686(8) .
W11 O36 1.892(8) .
W11 O35 1.914(7) .
W11 O31 1.931(8) .
W11 O30 1.939(7) .
W11 O3 2.469(7) .
W12 O40 1.697(8) .
W12 O37 1.896(8) .
W12 O33 1.912(8) .
W12 O32 1.918(9) .
W12 O36 1.921(8) .
W12 O4 2.435(7) .
P1 O4 1.522(7) .
P1 O1 1.527(7) .
P1 O2 1.529(7) .
P1 O3 1.531(7) .
Ag1 N1 2.278(10) .
Ag1 N9 2.351(10) .
Ag1 N14 2.356(10) 2_656
Ag1 O9 2.837(8) .
Ag2 N6 2.214(9) .
Ag2 N10 2.237(10) 4_676
Ag2 N15 2.447(10) 3_767
Ag3 O2W' 2.23(2) .
Ag3 O1W' 2.29(5) .
Ag3 N2 2.336(13) 3_777
Ag3 O1W 2.458(19) .
Ag3 O2W 2.47(3) .
Ag3 N7 2.472(10) .
Ag3' O5W' 1.50(8) .
Ag3' O2W' 1.70(3) .
Ag3' O5W 2.33(3) .
S1 C6 1.745(14) .
S1 C2 1.826(10) .
S2 C8 1.740(11) .
S2 C3 1.820(12) .
S3 C10 1.750(12) .
S3 C4 1.838(12) .
S4 C12 1.727(11) .
S4 C5 1.807(11) .
N1 C6 1.321(16) .
N1 N2 1.369(14) .
N2 N3 1.302(15) .
N2 Ag3 2.336(13) 3_777
N3 N4 1.299(16) .
N4 C6 1.330(15) .
N4 C7 1.475(18) .
N5 C8 1.318(14) .
N5 N6 1.365(12) .
N6 N7 1.288(13) .
N7 N8 1.348(12) .
N8 C8 1.334(14) .
N8 C9 1.454(15) .
N9 C10 1.329(13) .
N9 N10 1.339(12) .
N10 N11 1.289(13) .
N10 Ag2 2.237(10) 4_475
N11 N12 1.343(12) .
N12 C10 1.321(14) .
N12 C11 1.435(14) .
N13 C12 1.337(14) .
N13 N14 1.371(13) .
N14 N15 1.287(13) .
N14 Ag1 2.356(9) 2_646
N15 N16 1.350(12) .
N15 Ag2 2.447(10) 3_767
N16 C12 1.321(14) .
N16 C13 1.468(14) .
C1 C2 1.515(14) .
C1 C3 1.531(14) .
C1 C4 1.547(14) .
C1 C5 1.566(15) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
