# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_compound_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H34 Ag4 N12 O55 P V W11'
_chemical_formula_weight         3714.21

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'
P P 0.1023 0.0942 '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'
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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbcm

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.2940(6)
_cell_length_b                   21.5140(11)
_cell_length_c                   19.6330(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5192.8(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.66
_cell_measurement_theta_max      26.00

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            RED
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6584
_exptl_absorpt_coefficient_mu    26.066
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.018
_exptl_absorpt_correction_T_max  0.096
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27731
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5247
_reflns_number_gt                4386
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2001)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.


During the refinement, the command 'OMIT 0 52' was used to omit the weak
reflections above 52 degree. The command 'ISOR' was also used to restrain
the non-H atoms with NPD and ADP problems. These atoms are as follows:
C1 O15 C4 O14 O23 O2 O4 O12 O1W. Alert level B, 'Check Low Ueq as Compared
to Neighbors for oxygen atoms', are contributed to disorder of the PW11VO40
anions and those problems are commonly observed in POM-containing materials.


The H atom on water molecules cannot be assigned correctly owing to
the weak reflections. H atoms on water (O1W) molecules and 30 H atoms
assigned for charge balandce were included directly into the molecule.


Solvent accessible VOIDS of 84 A3 is observed after refinement,
which is veritable voids in the lattice water molecules as indicated by
elemental analysis. The contributions are subtracted in the structure refinement
by the 'SQUEEZE' method as implemented in PLATON. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0581P)²+83.5560P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5247
_refine_ls_number_parameters     370
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.1082
_refine_ls_wR_factor_gt          0.1041
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W -0.00551(4) 0.55462(2) 0.16444(3) 0.01766(13) Uani 0.92 1 d P . .
W2 W 0.27818(4) 0.60818(2) 0.16492(3) 0.01986(14) Uani 0.92 1 d P . .
W3 W -0.07441(6) 0.42635(3) 0.2500 0.02322(18) Uani 0.92 2 d SP . .
W4 W 0.13440(5) 0.33871(2) 0.15644(3) 0.02797(16) Uani 0.92 1 d P . .
W5 W 0.46828(6) 0.52891(4) 0.2500 0.0291(2) Uani 0.92 2 d SP . .
W6 W 0.20344(5) 0.46721(3) 0.07065(3) 0.02826(16) Uani 0.92 1 d P . .
W7 W 0.39184(5) 0.38730(3) 0.15586(4) 0.03584(18) Uani 0.92 1 d P . .
V1 V -0.00551(4) 0.55462(2) 0.16444(3) 0.01766(13) Uani 0.08 1 d P . .
V2 V 0.27818(4) 0.60818(2) 0.16492(3) 0.01986(14) Uani 0.08 1 d P . .
V3 V -0.07441(6) 0.42635(3) 0.2500 0.02322(18) Uani 0.08 2 d SP . .
V4 V 0.13440(5) 0.33871(2) 0.15644(3) 0.02797(16) Uani 0.08 1 d P . .
V5 V 0.46828(6) 0.52891(4) 0.2500 0.0291(2) Uani 0.08 2 d SP . .
V6 V 0.20344(5) 0.46721(3) 0.07065(3) 0.02826(16) Uani 0.08 1 d P . .
V7 V 0.39184(5) 0.38730(3) 0.15586(4) 0.03584(18) Uani 0.08 1 d P . .
Ag1 Ag 0.39792(8) 0.76485(5) 0.07500(7) 0.0409(3) Uani 1 1 d . . .
Ag2 Ag -0.09436(7) 0.68934(4) 0.03095(5) 0.0203(2) Uani 1 1 d . . .
P1 P 0.2007(3) 0.47210(17) 0.2500 0.0126(8) Uani 1 2 d S . .
N1 N 0.2412(8) 0.8081(4) 0.0420(5) 0.020(2) Uani 1 1 d . . .
N2 N 0.5492(8) 0.7084(5) 0.0563(6) 0.032(3) Uani 1 1 d . . .
C3 C 0.6428(9) 0.7250(5) 0.0243(6) 0.021(3) Uani 1 1 d . . .
N5 N 0.6871(10) 0.6518(8) 0.0888(9) 0.061(5) Uani 1 1 d . . .
N6 N 0.1110(10) 0.8748(5) 0.0339(8) 0.045(3) Uani 1 1 d . . .
C1 C 0.2099(8) 0.8666(5) 0.0528(6) 0.014(2) Uani 1 1 d U . .
H1 H 0.2538 0.8974 0.0716 0.016 Uiso 1 1 calc R . .
N3 N 0.0737(8) 0.8214(5) 0.0048(6) 0.024(2) Uani 1 1 d . . .
N4 N 0.7279(8) 0.6920(5) 0.0436(6) 0.028(2) Uani 1 1 d . . .
C4 C 0.5779(11) 0.6605(6) 0.0953(7) 0.029(3) Uani 1 1 d U . .
H4A H 0.5313 0.6370 0.1224 0.035 Uiso 1 1 calc R . .
O1 O 0.6063(12) 0.5393(8) 0.2500 0.062(5) Uani 1 2 d S . .
O2 O 0.2857(8) 0.3229(5) 0.1413(5) 0.037(2) Uani 1 1 d U . .
O3 O 0.4500(8) 0.4654(4) 0.1829(5) 0.035(2) Uani 1 1 d . . .
O4 O 0.0712(7) 0.5031(4) 0.1028(4) 0.0212(17) Uani 1 1 d U . .
O5 O 0.3983(11) 0.3659(7) 0.2500 0.045(4) Uani 1 2 d S . .
O6 O -0.1050(7) 0.4878(4) 0.1826(4) 0.0233(19) Uani 1 1 d . . .
O7 O 0.4297(7) 0.5888(4) 0.3171(5) 0.028(2) Uani 1 1 d . . .
O8 O 0.3407(8) 0.4260(4) 0.0735(5) 0.038(2) Uani 1 1 d . . .
O9 O 0.0073(8) 0.3806(4) 0.1840(4) 0.027(2) Uani 1 1 d . . .
O10 O 0.2770(9) 0.6518(5) 0.2500 0.020(2) Uani 1 2 d S . .
O11 O 0.2793(8) 0.5336(5) 0.2500 0.015(2) Uani 1 2 d S . .
O12 O 0.1357(7) 0.3870(4) 0.0749(5) 0.030(2) Uani 1 1 d U . .
O13 O 0.1254(7) 0.6020(4) 0.1695(4) 0.0192(17) Uani 1 1 d . . .
O14 O 0.1554(10) 0.3200(6) 0.2500 0.026(3) Uani 1 2 d SU . .
O15 O -0.1944(12) 0.3858(7) 0.2500 0.040(3) Uani 1 2 d SU . .
O16 O 0.2254(7) 0.4311(3) 0.1831(4) 0.0200(18) Uani 1 1 d . . .
O17 O 0.0757(9) 0.4946(5) 0.2500 0.014(2) Uani 1 2 d S . .
O18 O 0.5062(10) 0.3513(5) 0.1260(8) 0.064(4) Uani 1 1 d . . .
O19 O -0.0492(10) 0.5893(6) 0.2500 0.024(3) Uani 1 2 d S . .
O20 O 0.2953(8) 0.6686(4) 0.1113(5) 0.035(2) Uani 1 1 d . . .
O21 O -0.0827(8) 0.5994(4) 0.1117(5) 0.032(2) Uani 1 1 d . . .
O22 O 0.1938(9) 0.4824(5) -0.0135(5) 0.041(3) Uani 1 1 d . . .
O23 O 0.0826(8) 0.2706(5) 0.1275(5) 0.039(2) Uani 1 1 d U . .
O24 O 0.2721(7) 0.5398(4) 0.1035(4) 0.0249(19) Uani 1 1 d . . .
C2 C 0.1576(9) 0.7827(5) 0.0115(5) 0.015(2) Uani 1 1 d . . .
O1W O 0.6287(11) 0.1093(7) 0.7500 0.038(3) Uani 1 2 d SU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O21 1.703(9) . ?
W1 O4 1.893(8) . ?
W1 O13 1.908(8) . ?
W1 O19 1.915(6) . ?
W1 O6 1.921(8) . ?
W1 O17 2.342(7) . ?
W2 O20 1.686(9) . ?
W2 O13 1.885(8) . ?
W2 O24 1.904(8) . ?
W2 O10 1.916(5) . ?
W2 O7 1.941(9) 6_556 ?
W2 O11 2.316(7) . ?
W3 O15 1.713(14) . ?
W3 O6 1.907(8) 6_556 ?
W3 O6 1.908(8) . ?
W3 O9 1.913(9) 6_556 ?
W3 O9 1.913(9) . ?
W3 O17 2.358(11) . ?
W4 O23 1.695(10) . ?
W4 O9 1.883(10) . ?
W4 O14 1.898(3) . ?
W4 O12 1.909(9) . ?
W4 O2 1.915(10) . ?
W4 O16 2.340(8) . ?
W5 O1 1.711(15) . ?
W5 O7 1.902(9) 6_556 ?
W5 O7 1.902(9) . ?
W5 O3 1.910(10) 6_556 ?
W5 O3 1.910(10) . ?
W5 O11 2.325(10) . ?
W6 O22 1.688(10) . ?
W6 O24 1.888(8) . ?
W6 O8 1.907(10) . ?
W6 O4 1.907(8) . ?
W6 O12 1.917(9) . ?
W6 O16 2.356(8) . ?
W7 O18 1.710(11) . ?
W7 O3 1.902(10) . ?
W7 O5 1.907(3) . ?
W7 O8 1.924(11) . ?
W7 O2 1.925(10) . ?
W7 O16 2.314(8) . ?
Ag1 N1 2.236(9) . ?
Ag1 N2 2.251(11) . ?
Ag1 O18 2.418(10) 7_665 ?
Ag1 O20 2.527(9) . ?
Ag1 Ag1 3.014(3) 3_565 ?
Ag2 N3 2.194(10) 3_565 ?
Ag2 N4 2.200(10) 1_455 ?
Ag2 O21 2.506(9) . ?
Ag2 O23 2.583(10) 7_565 ?
Ag2 Ag2 2.8790(18) 3_565 ?
P1 O16 1.612(8) 6_556 ?
P1 O16 1.612(8) . ?
P1 O17 1.612(12) . ?
P1 O11 1.639(11) . ?
N1 C2 1.310(14) . ?
N1 C1 1.333(14) . ?
N2 C4 1.333(17) . ?
N2 C3 1.359(15) . ?
C3 N4 1.320(15) . ?
C3 C3 1.44(2) 3_565 ?
N5 N4 1.338(17) . ?
N5 C4 1.362(18) . ?
N6 C1 1.284(17) . ?
N6 N3 1.362(15) . ?
N3 C2 1.332(15) . ?
N3 Ag2 2.194(10) 3_565 ?
N4 Ag2 2.200(10) 1_655 ?
O5 V7 1.906(3) 6_556 ?
O5 W7 1.906(3) 6_556 ?
O7 V2 1.941(9) 6_556 ?
O7 W2 1.941(9) 6_556 ?
O10 V2 1.916(5) 6_556 ?
O10 W2 1.916(5) 6_556 ?
O11 V2 2.316(7) 6_556 ?
O11 W2 2.316(7) 6_556 ?
O14 V4 1.898(3) 6_556 ?
O14 W4 1.898(3) 6_556 ?
O17 V1 2.342(7) 6_556 ?
O17 W1 2.342(7) 6_556 ?
O18 Ag1 2.418(10) 7_655 ?
O19 V1 1.915(6) 6_556 ?
O19 W1 1.915(6) 6_556 ?
O23 Ag2 2.583(10) 7 ?
C2 C2 1.48(2) 3_565 ?

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
_geom_angle_publ_flag
O21 W1 O4 102.7(4) . . ?
O21 W1 O13 101.5(4) . . ?
O4 W1 O13 85.8(3) . . ?
O21 W1 O19 99.0(5) . . ?
O4 W1 O19 158.3(4) . . ?
O13 W1 O19 89.0(4) . . ?
O21 W1 O6 100.4(4) . . ?
O4 W1 O6 89.9(4) . . ?
O13 W1 O6 158.0(3) . . ?
O19 W1 O6 87.1(4) . . ?
O21 W1 O17 170.2(4) . . ?
O4 W1 O17 85.6(3) . . ?
O13 W1 O17 84.1(4) . . ?
O19 W1 O17 72.8(4) . . ?
O6 W1 O17 74.1(4) . . ?
O20 W2 O13 102.1(4) . . ?
O20 W2 O24 101.8(4) . . ?
O13 W2 O24 86.4(4) . . ?
O20 W2 O10 99.6(4) . . ?
O13 W2 O10 89.2(4) . . ?
O24 W2 O10 158.5(4) . . ?
O20 W2 O7 99.2(4) . 6_556 ?
O13 W2 O7 158.8(3) . 6_556 ?
O24 W2 O7 89.3(4) . 6_556 ?
O10 W2 O7 87.3(4) . 6_556 ?
O20 W2 O11 169.6(4) . . ?
O13 W2 O11 85.6(4) . . ?
O24 W2 O11 85.5(3) . . ?
O10 W2 O11 73.2(3) . . ?
O7 W2 O11 73.4(4) 6_556 . ?
O15 W3 O6 100.5(4) . 6_556 ?
O15 W3 O6 100.5(4) . . ?
O6 W3 O6 87.8(5) 6_556 . ?
O15 W3 O9 101.0(4) . 6_556 ?
O6 W3 O9 89.5(4) 6_556 6_556 ?
O6 W3 O9 158.5(3) . 6_556 ?
O15 W3 O9 101.0(4) . . ?
O6 W3 O9 158.5(3) 6_556 . ?
O6 W3 O9 89.5(4) . . ?
O9 W3 O9 85.3(5) 6_556 . ?
O15 W3 O17 172.1(6) . . ?
O6 W3 O17 73.9(3) 6_556 . ?
O6 W3 O17 73.9(3) . . ?
O9 W3 O17 84.8(3) 6_556 . ?
O9 W3 O17 84.8(3) . . ?
O23 W4 O9 101.4(4) . . ?
O23 W4 O14 101.1(5) . . ?
O9 W4 O14 86.3(4) . . ?
O23 W4 O12 101.1(5) . . ?
O9 W4 O12 89.3(4) . . ?
O14 W4 O12 157.8(5) . . ?
O23 W4 O2 99.2(4) . . ?
O9 W4 O2 159.4(4) . . ?
O14 W4 O2 88.9(5) . . ?
O12 W4 O2 87.6(4) . . ?
O23 W4 O16 171.3(4) . . ?
O9 W4 O16 85.8(3) . . ?
O14 W4 O16 84.2(4) . . ?
O12 W4 O16 73.8(3) . . ?
O2 W4 O16 73.8(4) . . ?
O1 W5 O7 99.1(5) . 6_556 ?
O1 W5 O7 99.1(5) . . ?
O7 W5 O7 87.6(6) 6_556 . ?
O1 W5 O3 102.1(5) . 6_556 ?
O7 W5 O3 158.7(4) 6_556 6_556 ?
O7 W5 O3 88.7(4) . 6_556 ?
O1 W5 O3 102.1(5) . . ?
O7 W5 O3 88.7(4) 6_556 . ?
O7 W5 O3 158.8(4) . . ?
O3 W5 O3 87.2(6) 6_556 . ?
O1 W5 O11 170.0(6) . . ?
O7 W5 O11 73.8(3) 6_556 . ?
O7 W5 O11 73.8(3) . . ?
O3 W5 O11 85.0(3) 6_556 . ?
O3 W5 O11 85.0(3) . . ?
O22 W6 O24 101.9(4) . . ?
O22 W6 O8 100.4(5) . . ?
O24 W6 O8 88.8(4) . . ?
O22 W6 O4 100.7(5) . . ?
O24 W6 O4 86.2(4) . . ?
O8 W6 O4 158.9(4) . . ?
O22 W6 O12 100.7(4) . . ?
O24 W6 O12 157.4(4) . . ?
O8 W6 O12 88.0(4) . . ?
O4 W6 O12 88.8(4) . . ?
O22 W6 O16 171.4(4) . . ?
O24 W6 O16 84.4(3) . . ?
O8 W6 O16 73.6(4) . . ?
O4 W6 O16 85.5(3) . . ?
O12 W6 O16 73.3(3) . . ?
O18 W7 O3 100.8(5) . . ?
O18 W7 O5 100.9(6) . . ?
O3 W7 O5 85.8(5) . . ?
O18 W7 O8 100.2(6) . . ?
O3 W7 O8 88.5(4) . . ?
O5 W7 O8 158.9(5) . . ?
O18 W7 O2 100.4(5) . . ?
O3 W7 O2 158.8(4) . . ?
O5 W7 O2 89.9(5) . . ?
O8 W7 O2 88.0(4) . . ?
O18 W7 O16 172.2(5) . . ?
O3 W7 O16 84.7(3) . . ?
O5 W7 O16 84.9(4) . . ?
O8 W7 O16 74.3(3) . . ?
O2 W7 O16 74.2(3) . . ?
N1 Ag1 N2 152.8(4) . . ?
N1 Ag1 O18 102.7(4) . 7_665 ?
N2 Ag1 O18 94.6(4) . 7_665 ?
N1 Ag1 O20 89.6(3) . . ?
N2 Ag1 O20 90.9(4) . . ?
O18 Ag1 O20 139.1(4) 7_665 . ?
N1 Ag1 Ag1 78.8(3) . 3_565 ?
N2 Ag1 Ag1 74.1(3) . 3_565 ?
O18 Ag1 Ag1 124.6(4) 7_665 3_565 ?
O20 Ag1 Ag1 95.9(2) . 3_565 ?
N3 Ag2 N4 166.9(4) 3_565 1_455 ?
N3 Ag2 O21 93.9(4) 3_565 . ?
N4 Ag2 O21 90.3(4) 1_455 . ?
N3 Ag2 O23 104.7(4) 3_565 7_565 ?
N4 Ag2 O23 87.5(4) 1_455 7_565 ?
O21 Ag2 O23 93.2(3) . 7_565 ?
N3 Ag2 Ag2 87.7(3) 3_565 3_565 ?
N4 Ag2 Ag2 91.4(3) 1_455 3_565 ?
O21 Ag2 Ag2 165.3(2) . 3_565 ?
O23 Ag2 Ag2 72.3(2) 7_565 3_565 ?
O16 P1 O16 109.2(6) 6_556 . ?
O16 P1 O17 110.1(4) 6_556 . ?
O16 P1 O17 110.1(4) . . ?
O16 P1 O11 109.3(4) 6_556 . ?
O16 P1 O11 109.3(4) . . ?
O17 P1 O11 108.6(6) . . ?
C2 N1 C1 104.0(9) . . ?
C2 N1 Ag1 129.4(7) . . ?
C1 N1 Ag1 126.5(8) . . ?
C4 N2 C3 104.2(10) . . ?
C4 N2 Ag1 122.8(9) . . ?
C3 N2 Ag1 129.3(8) . . ?
N4 C3 N2 113.4(11) . . ?
N4 C3 C3 126.4(7) . 3_565 ?
N2 C3 C3 120.2(7) . 3_565 ?
N4 N5 C4 110.1(12) . . ?
C1 N6 N3 109.0(11) . . ?
N6 C1 N1 110.8(10) . . ?
C2 N3 N6 103.0(10) . . ?
C2 N3 Ag2 134.0(8) . 3_565 ?
N6 N3 Ag2 122.6(8) . 3_565 ?
C3 N4 N5 104.0(10) . . ?
C3 N4 Ag2 140.3(9) . 1_655 ?
N5 N4 Ag2 115.5(8) . 1_655 ?
N2 C4 N5 108.2(12) . . ?
W4 O2 W7 120.5(5) . . ?
W7 O3 W5 150.3(6) . . ?
W1 O4 W6 150.8(5) . . ?
V7 O5 W7 0.00(4) 6_556 6_556 ?
V7 O5 W7 151.6(8) 6_556 . ?
W7 O5 W7 151.6(8) 6_556 . ?
W3 O6 W1 121.4(4) . . ?
W5 O7 V2 120.7(4) . 6_556 ?
W5 O7 W2 120.7(4) . 6_556 ?
V2 O7 W2 0.000(9) 6_556 6_556 ?
W6 O8 W7 121.0(5) . . ?
W4 O9 W3 151.3(5) . . ?
W2 O10 V2 121.3(6) . 6_556 ?
W2 O10 W2 121.3(6) . 6_556 ?
V2 O10 W2 0.00(4) 6_556 6_556 ?
P1 O11 V2 123.8(3) . 6_556 ?
P1 O11 W2 123.8(3) . 6_556 ?
V2 O11 W2 0.00(4) 6_556 6_556 ?
P1 O11 W2 123.8(3) . . ?
V2 O11 W2 92.3(4) 6_556 . ?
W2 O11 W2 92.3(4) 6_556 . ?
P1 O11 W5 123.6(6) . . ?
V2 O11 W5 92.1(3) 6_556 . ?
W2 O11 W5 92.1(3) 6_556 . ?
W2 O11 W5 92.1(3) . . ?
W4 O12 W6 122.0(5) . . ?
W2 O13 W1 151.1(5) . . ?
V4 O14 W4 0.00(4) 6_556 6_556 ?
V4 O14 W4 150.8(7) 6_556 . ?
W4 O14 W4 150.8(7) 6_556 . ?
P1 O16 W7 125.3(5) . . ?
P1 O16 W4 123.8(4) . . ?
W7 O16 W4 91.5(3) . . ?
P1 O16 W6 124.2(4) . . ?
W7 O16 W6 91.1(3) . . ?
W4 O16 W6 90.9(3) . . ?
P1 O17 V1 124.9(3) . 6_556 ?
P1 O17 W1 124.9(3) . 6_556 ?
V1 O17 W1 0.00(3) 6_556 6_556 ?
P1 O17 W1 124.9(3) . . ?
V1 O17 W1 91.7(4) 6_556 . ?
W1 O17 W1 91.7(4) 6_556 . ?
P1 O17 W3 124.0(5) . . ?
V1 O17 W3 90.6(3) 6_556 . ?
W1 O17 W3 90.6(3) 6_556 . ?
W1 O17 W3 90.6(3) . . ?
W7 O18 Ag1 153.1(7) . 7_655 ?
W1 O19 V1 122.6(6) . 6_556 ?
W1 O19 W1 122.6(6) . 6_556 ?
V1 O19 W1 0.00(3) 6_556 6_556 ?
W2 O20 Ag1 150.5(5) . . ?
W1 O21 Ag2 148.6(5) . . ?
W4 O23 Ag2 144.1(5) . 7 ?
W6 O24 W2 150.8(5) . . ?
N1 C2 N3 113.0(9) . . ?
N1 C2 C2 122.5(7) . 3_565 ?
N3 C2 C2 124.4(7) . 3_565 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.037
_refine_diff_density_min         -2.180
_refine_diff_density_rms         0.347










# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.132 0.251 0.250 57 22 ' '
2 0.131 0.751 0.250 57 22 ' '
3 -0.132 0.249 0.750 57 22 ' '
4 0.131 0.749 0.750 56 22 ' '
5 0.380 0.210 0.250 72 24 ' '
6 0.380 0.290 0.750 72 24 ' '
7 0.500 1.000 0.000 82 27 ' '
8 0.500 1.000 0.500 82 27 ' '
9 0.500 0.500 0.500 82 27 ' '
10 0.500 0.500 1.000 82 27 ' '
11 0.620 0.710 0.250 72 24 ' '
12 0.620 0.790 0.750 72 24 ' '
_platon_squeeze_details          
;
;
_database_code_depnum_ccdc_archive 'CCDC 989997'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_compound_2



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H61 Ag4 N12 O68 Si V W11'
_chemical_formula_weight         3946.55

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbcm

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.3080(14)
_cell_length_b                   21.532(3)
_cell_length_c                   19.998(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5299.8(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.65
_cell_measurement_theta_max      25.14

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            RED
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.946
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7104
_exptl_absorpt_coefficient_mu    25.565
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.019
_exptl_absorpt_correction_T_max  0.101
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25936
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_av_sigmaI/netI    0.0595
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.65
_diffrn_reflns_theta_max         25.14
_reflns_number_total             4844
_reflns_number_gt                3974
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2001)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.


During the refinement, the command 'isor' was also used to restrain
the non-H atoms with NPD and ADP problems. These atoms are as follows:
Ag1 O3 O4 O5 O6 O8 O9 O11 O12 O21 C2 C3 C6 O1W O2W N1 N2 N3 N4.


The H atom on water molecules cannot be assigned correctly owing to
the weak reflections. H atoms on water (O1W and O2W) molecules and
57 H atoms assigned for charge balandce were included directly into the molecule.


Solvent accessible VOIDS of 94 A3 is observed after refinement,
which is veritable voids in the lattice water molecules as indicated by
elemental analysis. The contributions are subtracted in the structure refinement
by the 'SQUEEZE' method as implemented in PLATON.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0843P)²+584.9122P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4844
_refine_ls_number_parameters     389
_refine_ls_number_restraints     115
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0754
_refine_ls_wR_factor_ref         0.1976
_refine_ls_wR_factor_gt          0.1888
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.49789(9) 0.55603(5) 0.33413(5) 0.0258(3) Uani 0.92 1 d P . .
W2 W 0.42328(13) 0.42870(7) 0.2500 0.0270(4) Uani 0.92 2 d SP . .
W3 W 0.78315(11) 0.60508(5) 0.33365(6) 0.0323(3) Uani 0.92 1 d P . .
W4 W 0.62750(11) 0.33762(5) 0.15826(6) 0.0348(3) Uani 0.92 1 d P . .
W5 W 0.96792(15) 0.52306(10) 0.2500 0.0484(5) Uani 0.92 2 d SP . .
W6 W 0.88714(12) 0.38288(7) 0.15796(8) 0.0505(4) Uani 0.92 1 d P . .
W7 W 0.70276(12) 0.46474(6) 0.07425(6) 0.0412(4) Uani 0.92 1 d P . .
V1 V 0.49789(9) 0.55603(5) 0.33413(5) 0.0258(3) Uani 0.08 1 d P . .
V2 V 0.42328(13) 0.42870(7) 0.2500 0.0270(4) Uani 0.08 2 d SP . .
V3 V 0.78315(11) 0.60508(5) 0.33365(6) 0.0323(3) Uani 0.08 1 d P . .
V4 V 0.62750(11) 0.33762(5) 0.15826(6) 0.0348(3) Uani 0.08 1 d P . .
V5 V 0.96792(15) 0.52306(10) 0.2500 0.0484(5) Uani 0.08 2 d SP . .
V6 V 0.88714(12) 0.38288(7) 0.15796(8) 0.0505(4) Uani 0.08 1 d P . .
V7 V 0.70276(12) 0.46474(6) 0.07425(6) 0.0412(4) Uani 0.08 1 d P . .
Si1 Si 0.6995(6) 0.4708(4) 0.2500 0.0097(16) Uani 1 2 d S . .
O1 O 0.9463(18) 0.4601(12) 0.3153(12) 0.054(6) Uani 1 1 d . . .
O2 O 0.5743(19) 0.2705(9) 0.1292(12) 0.051(6) Uani 1 1 d . . .
O1W O 0.817(3) 0.2424(16) 0.2500 0.056(8) Uani 1 2 d SU . .
O3 O 0.837(2) 0.4211(11) 0.0751(12) 0.058(6) Uani 1 1 d U . .
O2W O 0.821(2) 0.9471(13) 0.0919(15) 0.074(7) Uani 1 1 d U . .
O4 O 0.7751(14) 0.5366(8) 0.3934(9) 0.032(4) Uani 1 1 d U . .
O5 O 0.645(2) 0.3170(13) 0.2500 0.037(6) Uani 1 2 d SU . .
O6 O 0.3952(14) 0.4912(8) 0.3153(9) 0.030(4) Uani 1 1 d U . .
O7 O 0.7813(17) 0.3203(9) 0.1433(11) 0.046(5) Uani 1 1 d . . .
O8 O 0.894(3) 0.3608(16) 0.2500 0.054(8) Uani 1 2 d SU . .
O9 O 0.4560(18) 0.5914(11) 0.2500 0.023(5) Uani 1 2 d SU . .
O10 O 0.7232(15) 0.4299(7) 0.1837(8) 0.026(4) Uani 1 1 d . . .
O11 O 0.5735(17) 0.4949(9) 0.2500 0.015(4) Uani 1 2 d SU . .
O12 O 0.6268(14) 0.6026(8) 0.3278(9) 0.026(4) Uani 1 1 d U . .
O13 O 0.5039(16) 0.3830(8) 0.1863(8) 0.032(4) Uani 1 1 d . . .
O14 O 0.6313(17) 0.3848(9) 0.0782(9) 0.039(5) Uani 1 1 d . . .
O15 O 0.8062(17) 0.6669(9) 0.3859(9) 0.039(5) Uani 1 1 d . . .
O16 O 0.781(2) 0.5295(11) 0.2500 0.025(5) Uani 1 2 d S . .
O17 O 0.694(2) 0.4803(11) -0.0082(10) 0.058(6) Uani 1 1 d . . .
O18 O 0.5705(16) 0.5048(8) 0.3945(9) 0.034(4) Uani 1 1 d . . .
O19 O 0.4190(16) 0.6001(9) 0.3849(11) 0.043(5) Uani 1 1 d . . .
O20 O 0.301(2) 0.3917(13) 0.2500 0.051(9) Uani 1 2 d S . .
O21 O 1.107(3) 0.5282(19) 0.2500 0.074(11) Uani 1 2 d SU . .
O22 O 0.9327(16) 0.5857(9) 0.3169(11) 0.043(5) Uani 1 1 d . . .
O23 O 0.780(2) 0.6500(9) 0.2500 0.023(5) Uani 1 2 d S . .
N1 N 0.756(2) 0.8078(13) 0.4622(14) 0.049(7) Uani 1 1 d U . .
N2 N 0.723(3) 0.8673(15) 0.4498(16) 0.061(8) Uani 1 1 d U . .
O24 O 0.996(2) 0.3456(13) 0.1288(18) 0.087(10) Uani 1 1 d . . .
N4 N 1.2404(18) 0.6937(11) 0.4563(12) 0.034(5) Uani 1 1 d U . .
N5 N 0.5837(17) 0.8224(10) 0.4943(11) 0.028(5) Uani 1 1 d . . .
N6 N 1.0637(17) 0.7106(13) 0.4420(13) 0.043(7) Uani 1 1 d . . .
C1 C 0.668(2) 0.7821(12) 0.4900(13) 0.030(6) Uani 1 1 d . . .
C3 C 1.1555(19) 0.7271(11) 0.4739(13) 0.025(5) Uani 1 1 d U . .
N3 N 1.201(3) 0.6562(16) 0.4080(18) 0.071(9) Uani 1 1 d U . .
C6 C 1.094(3) 0.6653(19) 0.403(2) 0.063(10) Uani 1 1 d U . .
H6A H 1.0480 0.6428 0.3748 0.075 Uiso 1 1 calc R . .
Ag1 Ag 0.9056(2) 0.76157(13) 0.42688(16) 0.0590(7) Uani 1 1 d U . .
Ag2 Ag 1.41635(15) 0.68851(9) 0.47209(11) 0.0296(5) Uani 1 1 d . . .
C2 C 0.623(3) 0.8741(15) 0.4710(16) 0.044(7) Uani 1 1 d DU . .
H2 H 0.5854 0.9113 0.4696 0.053 Uiso 1 1 calc RD A 2
Ag12 Ag 0.5455(8) 0.9493(5) 0.4487(6) 0.051(4) Uani 0.245(11) 1 d P . 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O19 1.696(19) . ?
W1 O18 1.86(2) . ?
W1 O12 1.881(17) . ?
W1 O9 1.918(11) . ?
W1 O6 1.921(18) . ?
W1 O11 2.330(14) . ?
W1 Ag12 3.289(10) 7_655 ?
W2 O20 1.71(3) . ?
W2 O13 1.890(18) . ?
W2 O13 1.891(18) 6_556 ?
W2 O6 1.906(18) 6_556 ?
W2 O6 1.906(18) . ?
W2 O11 2.33(2) . ?
W3 O15 1.715(19) . ?
W3 O4 1.901(18) . ?
W3 O22 1.92(2) . ?
W3 O12 1.928(17) . ?
W3 O23 1.933(10) . ?
W3 O16 2.335(16) . ?
W4 O2 1.69(2) . ?
W4 O13 1.89(2) . ?
W4 O14 1.896(19) . ?
W4 O5 1.899(7) . ?
W4 O7 1.95(2) . ?
W4 O10 2.365(16) . ?
W5 O21 1.72(4) . ?
W5 O1 1.90(3) . ?
W5 O1 1.90(3) 6_556 ?
W5 O22 1.95(2) . ?
W5 O22 1.95(2) 6_556 ?
W5 O16 2.31(3) . ?
W6 O24 1.67(2) . ?
W6 O1 1.89(3) 6_556 ?
W6 O7 1.90(2) . ?
W6 O8 1.903(9) . ?
W6 O3 1.95(2) . ?
W6 O10 2.315(18) . ?
W7 O17 1.68(2) . ?
W7 O3 1.90(2) . ?
W7 O4 1.899(18) 6_556 ?
W7 O14 1.935(19) . ?
W7 O18 1.94(2) 6_556 ?
W7 O10 2.328(17) . ?
W7 Ag12 3.108(10) 4_645 ?
Si1 O16 1.61(3) . ?
Si1 O10 1.618(16) . ?
Si1 O10 1.618(16) 6_556 ?
Si1 O11 1.64(2) . ?
O1 V6 1.89(3) 6_556 ?
O1 W6 1.89(3) 6_556 ?
O4 V7 1.899(18) 6_556 ?
O4 W7 1.899(18) 6_556 ?
O5 V4 1.899(7) 6_556 ?
O5 W4 1.899(7) 6_556 ?
O8 V6 1.903(9) 6_556 ?
O8 W6 1.903(9) 6_556 ?
O9 V1 1.918(11) 6_556 ?
O9 W1 1.918(11) 6_556 ?
O11 V1 2.330(14) 6_556 ?
O11 W1 2.330(14) 6_556 ?
O15 Ag1 2.515(19) . ?
O16 V3 2.335(16) 6_556 ?
O16 W3 2.335(16) 6_556 ?
O17 Ag12 2.53(3) 8_575 ?
O18 V7 1.94(2) 6_556 ?
O18 W7 1.94(2) 6_556 ?
O18 Ag12 2.15(2) 7_655 ?
O19 Ag2 2.58(2) 1_455 ?
O23 V3 1.933(10) 6_556 ?
O23 W3 1.933(10) 6_556 ?
N1 C1 1.34(4) . ?
N1 N2 1.37(4) . ?
N1 Ag1 2.20(3) . ?
N2 C2 1.30(4) . ?
O24 Ag1 2.44(2) 4_745 ?
N4 C3 1.32(3) . ?
N4 N3 1.35(4) . ?
N4 Ag2 2.19(2) . ?
N5 C2 1.30(4) . ?
N5 C1 1.35(3) . ?
N5 Ag2 2.18(2) 3_466 ?
N6 C6 1.31(4) . ?
N6 C3 1.34(3) . ?
N6 Ag1 2.25(2) . ?
C1 C1 1.44(5) 3_566 ?
C3 C3 1.44(5) 3_566 ?
N3 C6 1.33(5) . ?
C6 H6A 0.9300 . ?
Ag1 O24 2.44(2) 4_755 ?
Ag1 Ag1 2.967(6) 3_566 ?
Ag2 N5 2.18(2) 3_666 ?
Ag2 O19 2.58(2) 1_655 ?
Ag2 Ag2 2.874(4) 3_566 ?
C2 Ag12 1.93(3) . ?
C2 H2 0.9300 . ?
Ag12 O18 2.15(2) 7_665 ?
Ag12 O17 2.53(3) 8_576 ?
Ag12 W7 3.108(10) 4_655 ?
Ag12 V7 3.108(10) 4_655 ?
Ag12 Ag12 3.20(2) 5_676 ?
Ag12 W1 3.289(10) 7_665 ?

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
_geom_angle_publ_flag
O19 W1 O18 102.6(9) . . ?
O19 W1 O12 103.0(9) . . ?
O18 W1 O12 87.4(8) . . ?
O19 W1 O9 98.6(10) . . ?
O18 W1 O9 158.8(8) . . ?
O12 W1 O9 87.5(9) . . ?
O19 W1 O6 98.5(9) . . ?
O18 W1 O6 90.7(8) . . ?
O12 W1 O6 158.3(8) . . ?
O9 W1 O6 86.6(9) . . ?
O19 W1 O11 167.8(9) . . ?
O18 W1 O11 86.7(6) . . ?
O12 W1 O11 85.2(7) . . ?
O9 W1 O11 72.5(7) . . ?
O6 W1 O11 73.2(7) . . ?
O19 W1 Ag12 83.2(8) . 7_655 ?
O18 W1 Ag12 38.1(6) . 7_655 ?
O12 W1 Ag12 123.8(6) . 7_655 ?
O9 W1 Ag12 147.7(7) . 7_655 ?
O6 W1 Ag12 61.4(6) . 7_655 ?
O11 W1 Ag12 100.0(5) . 7_655 ?
O20 W2 O13 102.8(9) . . ?
O20 W2 O13 102.8(9) . 6_556 ?
O13 W2 O13 84.7(12) . 6_556 ?
O20 W2 O6 99.7(9) . 6_556 ?
O13 W2 O6 90.1(8) . 6_556 ?
O13 W2 O6 157.5(8) 6_556 6_556 ?
O20 W2 O6 99.7(9) . . ?
O13 W2 O6 157.5(8) . . ?
O13 W2 O6 90.1(8) 6_556 . ?
O6 W2 O6 86.5(11) 6_556 . ?
O20 W2 O11 170.2(12) . . ?
O13 W2 O11 84.4(6) . . ?
O13 W2 O11 84.4(6) 6_556 . ?
O6 W2 O11 73.3(6) 6_556 . ?
O6 W2 O11 73.3(6) . . ?
O15 W3 O4 103.2(8) . . ?
O15 W3 O22 96.7(10) . . ?
O4 W3 O22 89.5(8) . . ?
O15 W3 O12 102.9(9) . . ?
O4 W3 O12 88.0(7) . . ?
O22 W3 O12 160.3(8) . . ?
O15 W3 O23 98.1(8) . . ?
O4 W3 O23 158.7(8) . . ?
O22 W3 O23 88.6(10) . . ?
O12 W3 O23 86.8(9) . . ?
O15 W3 O16 168.3(9) . . ?
O4 W3 O16 84.8(7) . . ?
O22 W3 O16 74.6(9) . . ?
O12 W3 O16 85.7(8) . . ?
O23 W3 O16 74.2(7) . . ?
O2 W4 O13 103.5(9) . . ?
O2 W4 O14 100.2(10) . . ?
O13 W4 O14 89.6(8) . . ?
O2 W4 O5 100.1(12) . . ?
O13 W4 O5 85.6(10) . . ?
O14 W4 O5 159.7(10) . . ?
O2 W4 O7 99.2(10) . . ?
O13 W4 O7 157.3(8) . . ?
O14 W4 O7 87.1(9) . . ?
O5 W4 O7 89.7(11) . . ?
O2 W4 O10 170.2(9) . . ?
O13 W4 O10 84.4(7) . . ?
O14 W4 O10 73.7(7) . . ?
O5 W4 O10 86.1(9) . . ?
O7 W4 O10 73.2(7) . . ?
O21 W5 O1 100.7(12) . . ?
O21 W5 O1 100.7(12) . 6_556 ?
O1 W5 O1 86.8(14) . 6_556 ?
O21 W5 O22 100.2(12) . . ?
O1 W5 O22 89.4(9) . . ?
O1 W5 O22 159.1(9) 6_556 . ?
O21 W5 O22 100.2(12) . 6_556 ?
O1 W5 O22 159.1(9) . 6_556 ?
O1 W5 O22 89.4(9) 6_556 6_556 ?
O22 W5 O22 86.7(11) . 6_556 ?
O21 W5 O16 172.8(15) . . ?
O1 W5 O16 84.4(8) . . ?
O1 W5 O16 84.4(8) 6_556 . ?
O22 W5 O16 74.7(7) . . ?
O22 W5 O16 74.7(7) 6_556 . ?
O24 W6 O1 102.3(12) . 6_556 ?
O24 W6 O7 99.0(12) . . ?
O1 W6 O7 158.8(8) 6_556 . ?
O24 W6 O8 100.5(16) . . ?
O1 W6 O8 86.0(12) 6_556 . ?
O7 W6 O8 90.2(12) . . ?
O24 W6 O3 99.4(15) . . ?
O1 W6 O3 89.5(10) 6_556 . ?
O7 W6 O3 87.1(10) . . ?
O8 W6 O3 160.1(12) . . ?
O24 W6 O10 171.4(13) . . ?
O1 W6 O10 83.6(8) 6_556 . ?
O7 W6 O10 75.3(7) . . ?
O8 W6 O10 86.1(11) . . ?
O3 W6 O10 74.1(8) . . ?
O17 W7 O3 99.3(12) . . ?
O17 W7 O4 101.6(10) . 6_556 ?
O3 W7 O4 89.6(9) . 6_556 ?
O17 W7 O14 100.8(9) . . ?
O3 W7 O14 87.3(10) . . ?
O4 W7 O14 157.6(8) 6_556 . ?
O17 W7 O18 99.9(10) . 6_556 ?
O3 W7 O18 160.7(9) . 6_556 ?
O4 W7 O18 85.5(8) 6_556 6_556 ?
O14 W7 O18 90.0(8) . 6_556 ?
O17 W7 O10 172.1(9) . . ?
O3 W7 O10 74.8(9) . . ?
O4 W7 O10 83.8(7) 6_556 . ?
O14 W7 O10 74.0(7) . . ?
O18 W7 O10 86.1(7) 6_556 . ?
O17 W7 Ag12 79.3(9) . 4_645 ?
O3 W7 Ag12 143.3(8) . 4_645 ?
O4 W7 Ag12 126.8(6) 6_556 4_645 ?
O14 W7 Ag12 57.6(6) . 4_645 ?
O18 W7 Ag12 43.3(6) 6_556 4_645 ?
O10 W7 Ag12 102.2(5) . 4_645 ?
O16 Si1 O10 108.4(8) . . ?
O16 Si1 O10 108.4(8) . 6_556 ?
O10 Si1 O10 110.0(13) . 6_556 ?
O16 Si1 O11 109.9(12) . . ?
O10 Si1 O11 110.1(8) . . ?
O10 Si1 O11 110.1(8) 6_556 . ?
V6 O1 W6 0.00(14) 6_556 6_556 ?
V6 O1 W5 151.0(13) 6_556 . ?
W6 O1 W5 151.0(13) 6_556 . ?
W7 O3 W6 119.5(13) . . ?
V7 O4 W7 0.00(9) 6_556 6_556 ?
V7 O4 W3 150.5(11) 6_556 . ?
W7 O4 W3 150.5(11) 6_556 . ?
W4 O5 V4 150.0(16) . 6_556 ?
W4 O5 W4 150.0(16) . 6_556 ?
V4 O5 W4 0.00(9) 6_556 6_556 ?
W2 O6 W1 121.8(9) . . ?
W6 O7 W4 120.5(9) . . ?
V6 O8 W6 0.00(10) 6_556 6_556 ?
V6 O8 W6 151(2) 6_556 . ?
W6 O8 W6 151(2) 6_556 . ?
V1 O9 W1 0.00(7) 6_556 6_556 ?
V1 O9 W1 122.6(12) 6_556 . ?
W1 O9 W1 122.6(12) 6_556 . ?
Si1 O10 W6 125.3(10) . . ?
Si1 O10 W7 125.1(9) . . ?
W6 O10 W7 91.5(6) . . ?
Si1 O10 W4 123.0(9) . . ?
W6 O10 W4 91.1(5) . . ?
W7 O10 W4 90.8(6) . . ?
Si1 O11 V1 123.9(7) . 6_556 ?
Si1 O11 W1 123.9(7) . 6_556 ?
V1 O11 W1 0.00(6) 6_556 6_556 ?
Si1 O11 W1 123.9(7) . . ?
V1 O11 W1 92.5(7) 6_556 . ?
W1 O11 W1 92.5(7) 6_556 . ?
Si1 O11 W2 123.9(11) . . ?
V1 O11 W2 91.7(6) 6_556 . ?
W1 O11 W2 91.7(6) 6_556 . ?
W1 O11 W2 91.7(6) . . ?
W1 O12 W3 148.5(10) . . ?
W2 O13 W4 152.9(11) . . ?
W4 O14 W7 121.5(10) . . ?
W3 O15 Ag1 155.2(12) . . ?
Si1 O16 W5 125.0(12) . . ?
Si1 O16 V3 123.7(8) . 6_556 ?
W5 O16 V3 91.7(8) . 6_556 ?
Si1 O16 W3 123.7(8) . 6_556 ?
W5 O16 W3 91.7(8) . 6_556 ?
V3 O16 W3 0.00(9) 6_556 6_556 ?
Si1 O16 W3 123.7(8) . . ?
W5 O16 W3 91.7(8) . . ?
V3 O16 W3 91.5(8) 6_556 . ?
W3 O16 W3 91.5(8) 6_556 . ?
W7 O17 Ag12 120.0(12) . 8_575 ?
W1 O18 V7 150.6(11) . 6_556 ?
W1 O18 W7 150.6(11) . 6_556 ?
V7 O18 W7 0.00(9) 6_556 6_556 ?
W1 O18 Ag12 109.6(10) . 7_655 ?
V7 O18 Ag12 98.5(9) 6_556 7_655 ?
W7 O18 Ag12 98.5(9) 6_556 7_655 ?
W1 O19 Ag2 145.6(11) . 1_455 ?
W3 O22 W5 118.9(10) . . ?
W3 O23 V3 119.9(11) . 6_556 ?
W3 O23 W3 119.9(11) . 6_556 ?
V3 O23 W3 0.00(10) 6_556 6_556 ?
C1 N1 N2 102(3) . . ?
C1 N1 Ag1 129(2) . . ?
N2 N1 Ag1 128(2) . . ?
C2 N2 N1 109(3) . . ?
W6 O24 Ag1 156.0(18) . 4_745 ?
C3 N4 N3 103(2) . . ?
C3 N4 Ag2 140.8(19) . . ?
N3 N4 Ag2 115(2) . . ?
C2 N5 C1 104(2) . . ?
C2 N5 Ag2 124(2) . 3_466 ?
C1 N5 Ag2 132.4(17) . 3_466 ?
C6 N6 C3 104(3) . . ?
C6 N6 Ag1 122(2) . . ?
C3 N6 Ag1 131.3(19) . . ?
N1 C1 N5 113(2) . . ?
N1 C1 C1 120.7(19) . 3_566 ?
N5 C1 C1 126.7(16) . 3_566 ?
N4 C3 N6 113(2) . . ?
N4 C3 C3 124.6(16) . 3_566 ?
N6 C3 C3 121.7(15) . 3_566 ?
C6 N3 N4 109(3) . . ?
N6 C6 N3 110(4) . . ?
N6 C6 H6A 124.9 . . ?
N3 C6 H6A 124.9 . . ?
N1 Ag1 N6 153.6(10) . . ?
N1 Ag1 O24 103.0(10) . 4_755 ?
N6 Ag1 O24 89.7(10) . 4_755 ?
N1 Ag1 O15 93.7(9) . . ?
N6 Ag1 O15 94.0(8) . . ?
O24 Ag1 O15 133.8(10) 4_755 . ?
N1 Ag1 Ag1 76.1(7) . 3_566 ?
N6 Ag1 Ag1 77.6(7) . 3_566 ?
O24 Ag1 Ag1 125.0(9) 4_755 3_566 ?
O15 Ag1 Ag1 100.7(5) . 3_566 ?
N5 Ag2 N4 169.7(8) 3_666 . ?
N5 Ag2 O19 96.7(7) 3_666 1_655 ?
N4 Ag2 O19 87.3(8) . 1_655 ?
N5 Ag2 Ag2 88.8(6) 3_666 3_566 ?
N4 Ag2 Ag2 90.5(6) . 3_566 ?
O19 Ag2 Ag2 160.4(5) 1_655 3_566 ?
N5 C2 N2 112(3) . . ?
N5 C2 Ag12 128(2) . . ?
N2 C2 Ag12 119(3) . . ?
N5 C2 H2 124.0 . . ?
N2 C2 H2 124.0 . . ?
Ag12 C2 H2 11.6 . . ?
C2 Ag12 O18 155.3(12) . 7_665 ?
C2 Ag12 O17 93.8(11) . 8_576 ?
O18 Ag12 O17 108.6(8) 7_665 8_576 ?
C2 Ag12 W7 127.7(10) . 4_655 ?
O18 Ag12 W7 38.2(6) 7_665 4_655 ?
O17 Ag12 W7 134.2(7) 8_576 4_655 ?
C2 Ag12 V7 127.7(10) . 4_655 ?
O18 Ag12 V7 38.2(6) 7_665 4_655 ?
O17 Ag12 V7 134.2(7) 8_576 4_655 ?
W7 Ag12 V7 0.000(10) 4_655 4_655 ?
C2 Ag12 Ag12 126.7(11) . 5_676 ?
O18 Ag12 Ag12 73.2(6) 7_665 5_676 ?
O17 Ag12 Ag12 67.9(6) 8_576 5_676 ?
W7 Ag12 Ag12 71.2(3) 4_655 5_676 ?
V7 Ag12 Ag12 71.2(3) 4_655 5_676 ?
C2 Ag12 W1 145.7(11) . 7_665 ?
O18 Ag12 W1 32.3(6) 7_665 7_665 ?
O17 Ag12 W1 86.3(6) 8_576 7_665 ?
W7 Ag12 W1 70.27(19) 4_655 7_665 ?
V7 Ag12 W1 70.27(19) 4_655 7_665 ?
Ag12 Ag12 W1 85.0(4) 5_676 7_665 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O21 W5 O1 V6 -126(3) . . . 6_556 ?
O1 W5 O1 V6 -25(3) 6_556 . . 6_556 ?
O22 W5 O1 V6 134(3) . . . 6_556 ?
O22 W5 O1 V6 55(5) 6_556 . . 6_556 ?
O16 W5 O1 V6 59(3) . . . 6_556 ?
O21 W5 O1 W6 -126(3) . . . 6_556 ?
O1 W5 O1 W6 -25(3) 6_556 . . 6_556 ?
O22 W5 O1 W6 134(3) . . . 6_556 ?
O22 W5 O1 W6 55(5) 6_556 . . 6_556 ?
O16 W5 O1 W6 59(3) . . . 6_556 ?
O17 W7 O3 W6 -174.3(14) . . . . ?
O4 W7 O3 W6 84.0(14) 6_556 . . . ?
O14 W7 O3 W6 -73.8(13) . . . . ?
O18 W7 O3 W6 9(4) 6_556 . . . ?
O10 W7 O3 W6 0.3(11) . . . . ?
Ag12 W7 O3 W6 -89.8(16) 4_645 . . . ?
O24 W6 O3 W7 173.9(16) . . . . ?
O1 W6 O3 W7 -83.8(14) 6_556 . . . ?
O7 W6 O3 W7 75.3(14) . . . . ?
O8 W6 O3 W7 -7(4) . . . . ?
O10 W6 O3 W7 -0.3(11) . . . . ?
O15 W3 O4 V7 129(2) . . . 6_556 ?
O22 W3 O4 V7 -134(2) . . . 6_556 ?
O12 W3 O4 V7 27(2) . . . 6_556 ?
O23 W3 O4 V7 -49(4) . . . 6_556 ?
O16 W3 O4 V7 -59(2) . . . 6_556 ?
O15 W3 O4 W7 129(2) . . . 6_556 ?
O22 W3 O4 W7 -134(2) . . . 6_556 ?
O12 W3 O4 W7 27(2) . . . 6_556 ?
O23 W3 O4 W7 -49(4) . . . 6_556 ?
O16 W3 O4 W7 -59(2) . . . 6_556 ?
O2 W4 O5 V4 -133(3) . . . 6_556 ?
O13 W4 O5 V4 -30(3) . . . 6_556 ?
O14 W4 O5 V4 47(5) . . . 6_556 ?
O7 W4 O5 V4 128(3) . . . 6_556 ?
O10 W4 O5 V4 54(3) . . . 6_556 ?
O2 W4 O5 W4 -133(3) . . . 6_556 ?
O13 W4 O5 W4 -30(3) . . . 6_556 ?
O14 W4 O5 W4 47(5) . . . 6_556 ?
O7 W4 O5 W4 128(3) . . . 6_556 ?
O10 W4 O5 W4 54(3) . . . 6_556 ?
O20 W2 O6 W1 -173.8(12) . . . . ?
O13 W2 O6 W1 7(3) . . . . ?
O13 W2 O6 W1 83.3(11) 6_556 . . . ?
O6 W2 O6 W1 -74.5(12) 6_556 . . . ?
O11 W2 O6 W1 -0.8(9) . . . . ?
O19 W1 O6 W2 171.7(12) . . . . ?
O18 W1 O6 W2 -85.5(11) . . . . ?
O12 W1 O6 W2 -1(3) . . . . ?
O9 W1 O6 W2 73.5(11) . . . . ?
O11 W1 O6 W2 0.8(9) . . . . ?
Ag12 W1 O6 W2 -110.9(11) 7_655 . . . ?
O24 W6 O7 W4 -173.3(17) . . . . ?
O1 W6 O7 W4 7(4) 6_556 . . . ?
O8 W6 O7 W4 86.0(16) . . . . ?
O3 W6 O7 W4 -74.3(14) . . . . ?
O10 W6 O7 W4 0.1(11) . . . . ?
O2 W4 O7 W6 173.7(14) . . . . ?
O13 W4 O7 W6 -8(3) . . . . ?
O14 W4 O7 W6 73.8(13) . . . . ?
O5 W4 O7 W6 -86.1(15) . . . . ?
O10 W4 O7 W6 -0.1(11) . . . . ?
O24 W6 O8 V6 134(4) . . . 6_556 ?
O1 W6 O8 V6 32(4) 6_556 . . 6_556 ?
O7 W6 O8 V6 -127(4) . . . 6_556 ?
O3 W6 O8 V6 -45(6) . . . 6_556 ?
O10 W6 O8 V6 -52(4) . . . 6_556 ?
O24 W6 O8 W6 134(4) . . . 6_556 ?
O1 W6 O8 W6 32(4) 6_556 . . 6_556 ?
O7 W6 O8 W6 -127(4) . . . 6_556 ?
O3 W6 O8 W6 -45(6) . . . 6_556 ?
O10 W6 O8 W6 -52(4) . . . 6_556 ?
O19 W1 O9 V1 -170.7(13) . . . 6_556 ?
O18 W1 O9 V1 10(3) . . . 6_556 ?
O12 W1 O9 V1 86.5(13) . . . 6_556 ?
O6 W1 O9 V1 -72.6(13) . . . 6_556 ?
O11 W1 O9 V1 0.8(12) . . . 6_556 ?
Ag12 W1 O9 V1 -79.9(17) 7_655 . . 6_556 ?
O19 W1 O9 W1 -170.7(13) . . . 6_556 ?
O18 W1 O9 W1 10(3) . . . 6_556 ?
O12 W1 O9 W1 86.5(13) . . . 6_556 ?
O6 W1 O9 W1 -72.6(13) . . . 6_556 ?
O11 W1 O9 W1 0.8(12) . . . 6_556 ?
Ag12 W1 O9 W1 -79.9(17) 7_655 . . 6_556 ?
O16 Si1 O10 W6 60.6(13) . . . . ?
O10 Si1 O10 W6 -57.7(17) 6_556 . . . ?
O11 Si1 O10 W6 -179.2(10) . . . . ?
O16 Si1 O10 W7 -61.8(14) . . . . ?
O10 Si1 O10 W7 179.9(2) 6_556 . . . ?
O11 Si1 O10 W7 58.4(14) . . . . ?
O16 Si1 O10 W4 179.7(11) . . . . ?
O10 Si1 O10 W4 61.4(17) 6_556 . . . ?
O11 Si1 O10 W4 -60.1(13) . . . . ?
O24 W6 O10 Si1 -178(8) . . . . ?
O1 W6 O10 Si1 -44.8(12) 6_556 . . . ?
O7 W6 O10 Si1 132.8(13) . . . . ?
O8 W6 O10 Si1 41.6(14) . . . . ?
O3 W6 O10 Si1 -136.1(13) . . . . ?
O24 W6 O10 W7 -42(8) . . . . ?
O1 W6 O10 W7 91.5(8) 6_556 . . . ?
O7 W6 O10 W7 -90.9(8) . . . . ?
O8 W6 O10 W7 177.9(11) . . . . ?
O3 W6 O10 W7 0.2(8) . . . . ?
O24 W6 O10 W4 49(8) . . . . ?
O1 W6 O10 W4 -177.6(9) 6_556 . . . ?
O7 W6 O10 W4 -0.1(8) . . . . ?
O8 W6 O10 W4 -91.3(11) . . . . ?
O3 W6 O10 W4 91.1(9) . . . . ?
O17 W7 O10 Si1 179(100) . . . . ?
O3 W7 O10 Si1 136.2(14) . . . . ?
O4 W7 O10 Si1 44.9(12) 6_556 . . . ?
O14 W7 O10 Si1 -132.2(14) . . . . ?
O18 W7 O10 Si1 -41.0(13) 6_556 . . . ?
Ag12 W7 O10 Si1 -81.4(12) 4_645 . . . ?
O17 W7 O10 W6 42(7) . . . . ?
O3 W7 O10 W6 -0.2(8) . . . . ?
O4 W7 O10 W6 -91.5(7) 6_556 . . . ?
O14 W7 O10 W6 91.4(8) . . . . ?
O18 W7 O10 W6 -177.4(7) 6_556 . . . ?
Ag12 W7 O10 W6 142.1(4) 4_645 . . . ?
O17 W7 O10 W4 -49(7) . . . . ?
O3 W7 O10 W4 -91.3(9) . . . . ?
O4 W7 O10 W4 177.4(7) 6_556 . . . ?
O14 W7 O10 W4 0.3(7) . . . . ?
O18 W7 O10 W4 91.5(7) 6_556 . . . ?
Ag12 W7 O10 W4 51.0(5) 4_645 . . . ?
O2 W4 O10 Si1 -174(5) . . . . ?
O13 W4 O10 Si1 42.5(12) . . . . ?
O14 W4 O10 Si1 133.7(13) . . . . ?
O5 W4 O10 Si1 -43.5(13) . . . . ?
O7 W4 O10 Si1 -134.4(14) . . . . ?
O2 W4 O10 W6 -39(6) . . . . ?
O13 W4 O10 W6 176.9(7) . . . . ?
O14 W4 O10 W6 -91.8(8) . . . . ?
O5 W4 O10 W6 91.0(9) . . . . ?
O7 W4 O10 W6 0.1(8) . . . . ?
O2 W4 O10 W7 52(6) . . . . ?
O13 W4 O10 W7 -91.6(7) . . . . ?
O14 W4 O10 W7 -0.3(7) . . . . ?
O5 W4 O10 W7 -177.5(9) . . . . ?
O7 W4 O10 W7 91.6(9) . . . . ?
O16 Si1 O11 V1 60.4(10) . . . 6_556 ?
O10 Si1 O11 V1 -58.8(14) . . . 6_556 ?
O10 Si1 O11 V1 179.7(10) 6_556 . . 6_556 ?
O16 Si1 O11 W1 60.4(10) . . . 6_556 ?
O10 Si1 O11 W1 -58.8(14) . . . 6_556 ?
O10 Si1 O11 W1 179.7(10) 6_556 . . 6_556 ?
O16 Si1 O11 W1 -60.4(10) . . . . ?
O10 Si1 O11 W1 -179.7(10) . . . . ?
O10 Si1 O11 W1 58.8(14) 6_556 . . . ?
O16 Si1 O11 W2 180.0 . . . . ?
O10 Si1 O11 W2 60.7(7) . . . . ?
O10 Si1 O11 W2 -60.7(7) 6_556 . . . ?
O19 W1 O11 Si1 178(4) . . . . ?
O18 W1 O11 Si1 -42.6(12) . . . . ?
O12 W1 O11 Si1 45.0(12) . . . . ?
O9 W1 O11 Si1 133.9(14) . . . . ?
O6 W1 O11 Si1 -134.3(13) . . . . ?
Ag12 W1 O11 Si1 -78.4(11) 7_655 . . . ?
O19 W1 O11 V1 43(4) . . . 6_556 ?
O18 W1 O11 V1 -177.1(8) . . . 6_556 ?
O12 W1 O11 V1 -89.5(7) . . . 6_556 ?
O9 W1 O11 V1 -0.6(8) . . . 6_556 ?
O6 W1 O11 V1 91.1(8) . . . 6_556 ?
Ag12 W1 O11 V1 147.0(5) 7_655 . . 6_556 ?
O19 W1 O11 W1 43(4) . . . 6_556 ?
O18 W1 O11 W1 -177.1(8) . . . 6_556 ?
O12 W1 O11 W1 -89.5(7) . . . 6_556 ?
O9 W1 O11 W1 -0.6(8) . . . 6_556 ?
O6 W1 O11 W1 91.1(8) . . . 6_556 ?
Ag12 W1 O11 W1 147.0(5) 7_655 . . 6_556 ?
O19 W1 O11 W2 -49(4) . . . . ?
O18 W1 O11 W2 91.1(7) . . . . ?
O12 W1 O11 W2 178.8(7) . . . . ?
O9 W1 O11 W2 -92.3(8) . . . . ?
O6 W1 O11 W2 -0.6(6) . . . . ?
Ag12 W1 O11 W2 55.3(5) 7_655 . . . ?
O20 W2 O11 Si1 180.0 . . . . ?
O13 W2 O11 Si1 -42.6(6) . . . . ?
O13 W2 O11 Si1 42.6(6) 6_556 . . . ?
O6 W2 O11 Si1 -134.3(6) 6_556 . . . ?
O6 W2 O11 Si1 134.3(6) . . . . ?
O20 W2 O11 V1 -46.3(4) . . . 6_556 ?
O13 W2 O11 V1 91.2(7) . . . 6_556 ?
O13 W2 O11 V1 176.3(7) 6_556 . . 6_556 ?
O6 W2 O11 V1 -0.6(6) 6_556 . . 6_556 ?
O6 W2 O11 V1 -91.9(7) . . . 6_556 ?
O20 W2 O11 W1 -46.3(4) . . . 6_556 ?
O13 W2 O11 W1 91.2(7) . . . 6_556 ?
O13 W2 O11 W1 176.3(7) 6_556 . . 6_556 ?
O6 W2 O11 W1 -0.6(6) 6_556 . . 6_556 ?
O6 W2 O11 W1 -91.9(7) . . . 6_556 ?
O20 W2 O11 W1 46.3(4) . . . . ?
O13 W2 O11 W1 -176.3(7) . . . . ?
O13 W2 O11 W1 -91.2(7) 6_556 . . . ?
O6 W2 O11 W1 91.9(7) 6_556 . . . ?
O6 W2 O11 W1 0.6(6) . . . . ?
O19 W1 O12 W3 130.0(19) . . . . ?
O18 W1 O12 W3 27.7(19) . . . . ?
O9 W1 O12 W3 -132(2) . . . . ?
O6 W1 O12 W3 -58(3) . . . . ?
O11 W1 O12 W3 -59.2(19) . . . . ?
Ag12 W1 O12 W3 40(2) 7_655 . . . ?
O15 W3 O12 W1 -129.1(19) . . . . ?
O4 W3 O12 W1 -26.1(19) . . . . ?
O22 W3 O12 W1 57(3) . . . . ?
O23 W3 O12 W1 133.2(19) . . . . ?
O16 W3 O12 W1 58.8(19) . . . . ?
O20 W2 O13 W4 -128(2) . . . . ?
O13 W2 O13 W4 -26(2) 6_556 . . . ?
O6 W2 O13 W4 132(2) 6_556 . . . ?
O6 W2 O13 W4 51(3) . . . . ?
O11 W2 O13 W4 59(2) . . . . ?
O2 W4 O13 W2 127(2) . . . . ?
O14 W4 O13 W2 -133(2) . . . . ?
O5 W4 O13 W2 28(2) . . . . ?
O7 W4 O13 W2 -51(3) . . . . ?
O10 W4 O13 W2 -59(2) . . . . ?
O2 W4 O14 W7 -171.7(13) . . . . ?
O13 W4 O14 W7 84.7(12) . . . . ?
O5 W4 O14 W7 8(4) . . . . ?
O7 W4 O14 W7 -72.9(13) . . . . ?
O10 W4 O14 W7 0.4(10) . . . . ?
O17 W7 O14 W4 173.5(14) . . . . ?
O3 W7 O14 W4 74.5(14) . . . . ?
O4 W7 O14 W4 -8(3) 6_556 . . . ?
O18 W7 O14 W4 -86.3(13) 6_556 . . . ?
O10 W7 O14 W4 -0.4(11) . . . . ?
Ag12 W7 O14 W4 -116.7(14) 4_645 . . . ?
O4 W3 O15 Ag1 126(2) . . . . ?
O22 W3 O15 Ag1 35(3) . . . . ?
O12 W3 O15 Ag1 -143(2) . . . . ?
O23 W3 O15 Ag1 -54(3) . . . . ?
O16 W3 O15 Ag1 -6(6) . . . . ?
O10 Si1 O16 W5 -59.7(8) . . . . ?
O10 Si1 O16 W5 59.7(8) 6_556 . . . ?
O11 Si1 O16 W5 180.0 . . . . ?
O10 Si1 O16 V3 60.9(15) . . . 6_556 ?
O10 Si1 O16 V3 -179.8(11) 6_556 . . 6_556 ?
O11 Si1 O16 V3 -59.4(11) . . . 6_556 ?
O10 Si1 O16 W3 60.9(15) . . . 6_556 ?
O10 Si1 O16 W3 -179.8(11) 6_556 . . 6_556 ?
O11 Si1 O16 W3 -59.4(11) . . . 6_556 ?
O10 Si1 O16 W3 179.8(11) . . . . ?
O10 Si1 O16 W3 -60.9(15) 6_556 . . . ?
O11 Si1 O16 W3 59.4(11) . . . . ?
O21 W5 O16 Si1 180.0 . . . . ?
O1 W5 O16 Si1 -43.7(7) . . . . ?
O1 W5 O16 Si1 43.7(7) 6_556 . . . ?
O22 W5 O16 Si1 -134.6(6) . . . . ?
O22 W5 O16 Si1 134.6(6) 6_556 . . . ?
O21 W5 O16 V3 45.8(4) . . . 6_556 ?
O1 W5 O16 V3 -177.9(9) . . . 6_556 ?
O1 W5 O16 V3 -90.5(8) 6_556 . . 6_556 ?
O22 W5 O16 V3 91.2(8) . . . 6_556 ?
O22 W5 O16 V3 0.4(7) 6_556 . . 6_556 ?
O21 W5 O16 W3 45.8(4) . . . 6_556 ?
O1 W5 O16 W3 -177.9(9) . . . 6_556 ?
O1 W5 O16 W3 -90.5(8) 6_556 . . 6_556 ?
O22 W5 O16 W3 91.2(8) . . . 6_556 ?
O22 W5 O16 W3 0.4(7) 6_556 . . 6_556 ?
O21 W5 O16 W3 -45.8(4) . . . . ?
O1 W5 O16 W3 90.5(8) . . . . ?
O1 W5 O16 W3 177.9(9) 6_556 . . . ?
O22 W5 O16 W3 -0.4(7) . . . . ?
O22 W5 O16 W3 -91.2(8) 6_556 . . . ?
O15 W3 O16 Si1 178(3) . . . . ?
O4 W3 O16 Si1 44.6(13) . . . . ?
O22 W3 O16 Si1 135.5(14) . . . . ?
O12 W3 O16 Si1 -43.7(13) . . . . ?
O23 W3 O16 Si1 -131.6(16) . . . . ?
O15 W3 O16 W5 43(4) . . . . ?
O4 W3 O16 W5 -90.5(7) . . . . ?
O22 W3 O16 W5 0.4(7) . . . . ?
O12 W3 O16 W5 -178.8(7) . . . . ?
O23 W3 O16 W5 93.3(9) . . . . ?
O15 W3 O16 V3 -49(4) . . . 6_556 ?
O4 W3 O16 V3 177.8(9) . . . 6_556 ?
O22 W3 O16 V3 -91.3(9) . . . 6_556 ?
O12 W3 O16 V3 89.5(8) . . . 6_556 ?
O23 W3 O16 V3 1.6(9) . . . 6_556 ?
O15 W3 O16 W3 -49(4) . . . 6_556 ?
O4 W3 O16 W3 177.8(9) . . . 6_556 ?
O22 W3 O16 W3 -91.3(9) . . . 6_556 ?
O12 W3 O16 W3 89.5(8) . . . 6_556 ?
O23 W3 O16 W3 1.6(9) . . . 6_556 ?
O3 W7 O17 Ag12 -172.4(12) . . . 8_575 ?
O4 W7 O17 Ag12 -80.9(13) 6_556 . . 8_575 ?
O14 W7 O17 Ag12 98.5(12) . . . 8_575 ?
O18 W7 O17 Ag12 6.6(13) 6_556 . . 8_575 ?
O10 W7 O17 Ag12 146(6) . . . 8_575 ?
Ag12 W7 O17 Ag12 44.8(10) 4_645 . . 8_575 ?
O19 W1 O18 V7 -136(2) . . . 6_556 ?
O12 W1 O18 V7 -33(2) . . . 6_556 ?
O9 W1 O18 V7 43(4) . . . 6_556 ?
O6 W1 O18 V7 125(2) . . . 6_556 ?
O11 W1 O18 V7 52(2) . . . 6_556 ?
Ag12 W1 O18 V7 163(3) 7_655 . . 6_556 ?
O19 W1 O18 W7 -136(2) . . . 6_556 ?
O12 W1 O18 W7 -33(2) . . . 6_556 ?
O9 W1 O18 W7 43(4) . . . 6_556 ?
O6 W1 O18 W7 125(2) . . . 6_556 ?
O11 W1 O18 W7 52(2) . . . 6_556 ?
Ag12 W1 O18 W7 163(3) 7_655 . . 6_556 ?
O19 W1 O18 Ag12 61.1(11) . . . 7_655 ?
O12 W1 O18 Ag12 163.9(9) . . . 7_655 ?
O9 W1 O18 Ag12 -120(2) . . . 7_655 ?
O6 W1 O18 Ag12 -37.7(9) . . . 7_655 ?
O11 W1 O18 Ag12 -110.8(9) . . . 7_655 ?
O18 W1 O19 Ag2 72(2) . . . 1_455 ?
O12 W1 O19 Ag2 -19(2) . . . 1_455 ?
O9 W1 O19 Ag2 -108(2) . . . 1_455 ?
O6 W1 O19 Ag2 164.2(19) . . . 1_455 ?
O11 W1 O19 Ag2 -150(3) . . . 1_455 ?
Ag12 W1 O19 Ag2 105(2) 7_655 . . 1_455 ?
O15 W3 O22 W5 -172.6(11) . . . . ?
O4 W3 O22 W5 84.2(11) . . . . ?
O12 W3 O22 W5 2(3) . . . . ?
O23 W3 O22 W5 -74.6(11) . . . . ?
O16 W3 O22 W5 -0.6(9) . . . . ?
O21 W5 O22 W3 175.4(13) . . . . ?
O1 W5 O22 W3 -83.8(12) . . . . ?
O1 W5 O22 W3 -4(3) 6_556 . . . ?
O22 W5 O22 W3 75.6(12) 6_556 . . . ?
O16 W5 O22 W3 0.6(9) . . . . ?
O15 W3 O23 V3 168.8(14) . . . 6_556 ?
O4 W3 O23 V3 -13(4) . . . 6_556 ?
O22 W3 O23 V3 72.2(14) . . . 6_556 ?
O12 W3 O23 V3 -88.6(14) . . . 6_556 ?
O16 W3 O23 V3 -2.2(12) . . . 6_556 ?
O15 W3 O23 W3 168.8(14) . . . 6_556 ?
O4 W3 O23 W3 -13(4) . . . 6_556 ?
O22 W3 O23 W3 72.2(14) . . . 6_556 ?
O12 W3 O23 W3 -88.6(14) . . . 6_556 ?
O16 W3 O23 W3 -2.2(12) . . . 6_556 ?
C1 N1 N2 C2 1(4) . . . . ?
Ag1 N1 N2 C2 171(2) . . . . ?
O1 W6 O24 Ag1 -172(5) 6_556 . . 4_745 ?
O7 W6 O24 Ag1 8(5) . . . 4_745 ?
O8 W6 O24 Ag1 100(5) . . . 4_745 ?
O3 W6 O24 Ag1 -81(5) . . . 4_745 ?
O10 W6 O24 Ag1 -40(12) . . . 4_745 ?
N2 N1 C1 N5 1(3) . . . . ?
Ag1 N1 C1 N5 -168.5(19) . . . . ?
N2 N1 C1 C1 179(3) . . . 3_566 ?
Ag1 N1 C1 C1 10(5) . . . 3_566 ?
C2 N5 C1 N1 -2(3) . . . . ?
Ag2 N5 C1 N1 176.0(19) 3_466 . . . ?
C2 N5 C1 C1 179(3) . . . 3_566 ?
Ag2 N5 C1 C1 -2(5) 3_466 . . 3_566 ?
N3 N4 C3 N6 3(3) . . . . ?
Ag2 N4 C3 N6 174(2) . . . . ?
N3 N4 C3 C3 178(3) . . . 3_566 ?
Ag2 N4 C3 C3 -11(5) . . . 3_566 ?
C6 N6 C3 N4 -1(4) . . . . ?
Ag1 N6 C3 N4 -161(2) . . . . ?
C6 N6 C3 C3 -175(3) . . . 3_566 ?
Ag1 N6 C3 C3 24(5) . . . 3_566 ?
C3 N4 N3 C6 -5(4) . . . . ?
Ag2 N4 N3 C6 -178(2) . . . . ?
C3 N6 C6 N3 -2(4) . . . . ?
Ag1 N6 C6 N3 161(2) . . . . ?
N4 N3 C6 N6 5(5) . . . . ?
C1 N1 Ag1 N6 -71(4) . . . . ?
N2 N1 Ag1 N6 123(3) . . . . ?
C1 N1 Ag1 O24 172(3) . . . 4_755 ?
N2 N1 Ag1 O24 6(3) . . . 4_755 ?
C1 N1 Ag1 O15 36(3) . . . . ?
N2 N1 Ag1 O15 -131(3) . . . . ?
C1 N1 Ag1 Ag1 -64(2) . . . 3_566 ?
N2 N1 Ag1 Ag1 129(3) . . . 3_566 ?
C6 N6 Ag1 N1 141(3) . . . . ?
C3 N6 Ag1 N1 -61(4) . . . . ?
C6 N6 Ag1 O24 -99(3) . . . 4_755 ?
C3 N6 Ag1 O24 59(3) . . . 4_755 ?
C6 N6 Ag1 O15 35(3) . . . . ?
C3 N6 Ag1 O15 -168(3) . . . . ?
C6 N6 Ag1 Ag1 135(3) . . . 3_566 ?
C3 N6 Ag1 Ag1 -67(3) . . . 3_566 ?
W3 O15 Ag1 N1 146(3) . . . . ?
W3 O15 Ag1 N6 -59(3) . . . . ?
W3 O15 Ag1 O24 34(3) . . . 4_755 ?
W3 O15 Ag1 Ag1 -137(2) . . . 3_566 ?
C3 N4 Ag2 N5 72(6) . . . 3_666 ?
N3 N4 Ag2 N5 -118(5) . . . 3_666 ?
C3 N4 Ag2 O19 -175(3) . . . 1_655 ?
N3 N4 Ag2 O19 -4(2) . . . 1_655 ?
C3 N4 Ag2 Ag2 -14(3) . . . 3_566 ?
N3 N4 Ag2 Ag2 156(2) . . . 3_566 ?
C1 N5 C2 N2 3(3) . . . . ?
Ag2 N5 C2 N2 -175(2) 3_466 . . . ?
C1 N5 C2 Ag12 170(2) . . . . ?
Ag2 N5 C2 Ag12 -9(4) 3_466 . . . ?
N1 N2 C2 N5 -3(4) . . . . ?
N1 N2 C2 Ag12 -171(2) . . . . ?
N5 C2 Ag12 O18 -63(5) . . . 7_665 ?
N2 C2 Ag12 O18 103(4) . . . 7_665 ?
N5 C2 Ag12 O17 142(3) . . . 8_576 ?
N2 C2 Ag12 O17 -52(3) . . . 8_576 ?
N5 C2 Ag12 W7 -17(4) . . . 4_655 ?
N2 C2 Ag12 W7 149(2) . . . 4_655 ?
N5 C2 Ag12 V7 -17(4) . . . 4_655 ?
N2 C2 Ag12 V7 149(2) . . . 4_655 ?
N5 C2 Ag12 Ag12 77(3) . . . 5_676 ?
N2 C2 Ag12 Ag12 -118(3) . . . 5_676 ?
N5 C2 Ag12 W1 -129(2) . . . 7_665 ?
N2 C2 Ag12 W1 37(4) . . . 7_665 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.14
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         7.055
_refine_diff_density_min         -5.538
_refine_diff_density_rms         0.502






# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 47 25 ' '
2 0.000 0.500 0.000 47 25 ' '
3 0.000 0.000 0.500 47 25 ' '
4 0.000 0.500 0.500 47 25 ' '
5 0.254 0.257 0.250 93 50 ' '
6 0.254 0.243 0.750 93 50 ' '
7 0.746 0.757 0.250 93 50 ' '
8 0.746 0.743 0.750 93 49 ' '
_platon_squeeze_details          
;
;
_database_code_depnum_ccdc_archive 'CCDC 989998'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_compound_3





_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H22 Ag4 N12 O44 P V W11'
_chemical_formula_weight         3674.06

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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

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'

_cell_length_a                   14.3760(7)
_cell_length_b                   23.0870(8)
_cell_length_c                   21.2060(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 130.199(14)
_cell_angle_gamma                90.00
_cell_volume                     5375.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.54
_cell_measurement_theta_max      25.10

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            RED
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6424
_exptl_absorpt_coefficient_mu    25.160
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.020
_exptl_absorpt_correction_T_max  0.104
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27400
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.54
_diffrn_reflns_theta_max         25.10
_reflns_number_total             9572
_reflns_number_gt                7878
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2001)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.


During the refinement, the command 'omit -3 50.2' was used to omit the weak
reflections above 50.2 degree. The command 'isor' was also used to restrain
the non-H atoms with NPD and ADP problems. These atoms are as follows:
O1W O2W O3W O4W C1 C6 C8 C16 C17 C22 Ag1 P1 O14 O15 O22 O23 O32 O39 N1 N5 N7 N14.
The distances between Ag1, O9 and Ag1, N14 were restricted by 'delu' command.


The H atom on water molecules cannot be assigned correctly owing to
the weak reflections. H atoms on water (O1W O2W O3W O4W) molecules and twelve H atoms
assigned for charge balandce were included directly into the molecule.
silver atoms Ag2 and Ag3 have both been modeled two sites and the remaining large residual density is located near metal atoms, which is probably due to an incomplete absorption correction.


;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0485P)²+332.9506P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9572
_refine_ls_number_parameters     840
_refine_ls_number_restraints     126
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0508
_refine_ls_wR_factor_ref         0.1309
_refine_ls_wR_factor_gt          0.1231
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8634(17) 0.4150(8) 0.6900(11) 0.021(4) Uani 1 1 d U . .
C2 C 1.2972(18) 0.3652(8) 0.8890(12) 0.024(4) Uani 1 1 d . . .
C3 C 1.406(2) 0.3933(11) 0.9251(13) 0.034(5) Uani 1 1 d . . .
H3A H 1.4069 0.4335 0.9219 0.041 Uiso 1 1 calc R . .
C4 C 1.296(2) 0.3065(9) 0.9003(14) 0.034(5) Uani 1 1 d . . .
H4A H 1.2250 0.2865 0.8784 0.041 Uiso 1 1 calc R . .
C5 C 1.1789(17) 0.3975(8) 0.8362(12) 0.024(4) Uani 1 1 d . . .
C6 C 0.9932(18) 0.4198(9) 0.7492(12) 0.024(4) Uani 1 1 d U . .
C7 C 0.973(2) 0.1406(10) 0.6315(13) 0.031(5) Uani 1 1 d . . .
C8 C 1.008(2) 0.1619(10) 0.7099(14) 0.034(5) Uani 1 1 d U . .
C10 C 0.932(2) 0.0849(11) 0.6043(15) 0.038(6) Uani 1 1 d . . .
H10 H 0.9240 0.0602 0.6354 0.046 Uiso 1 1 calc R . .
C12 C 0.901(3) 0.0652(14) 0.5315(17) 0.062(8) Uani 1 1 d . . .
H12A H 0.8719 0.0277 0.5131 0.074 Uiso 1 1 calc R . .
C14 C 0.982(2) 0.1781(12) 0.5833(17) 0.047(6) Uani 1 1 d . . .
H14A H 1.0076 0.2162 0.5991 0.056 Uiso 1 1 calc R . .
C15 C 0.949(2) 0.1551(13) 0.5098(15) 0.048(7) Uani 1 1 d . . .
H15A H 0.9529 0.1787 0.4760 0.058 Uiso 1 1 calc R . .
C16 C 0.6895(19) 0.3785(9) 0.6194(12) 0.027(4) Uani 1 1 d U . .
H16A H 0.6249 0.3527 0.5953 0.033 Uiso 1 1 calc R . .
C17 C 1.223(2) 0.1589(10) 1.0410(15) 0.038(5) Uani 1 1 d U . .
H17A H 1.2779 0.1722 1.0951 0.046 Uiso 1 1 calc R . .
C18 C 1.120(2) 0.1541(9) 0.9126(14) 0.032(5) Uani 1 1 d . . .
C20 C 1.507(2) 0.3636(12) 0.9639(13) 0.041(6) Uani 1 1 d . . .
H20A H 1.5796 0.3821 0.9846 0.049 Uiso 1 1 calc R . .
C21 C 1.411(3) 0.2788(13) 0.9474(15) 0.059(8) Uani 1 1 d . . .
H21A H 1.4160 0.2396 0.9594 0.070 Uiso 1 1 calc R . .
C22 C 1.069(2) 0.1689(10) 0.8293(13) 0.031(5) Uani 1 1 d U . .
N1 N 0.7859(16) 0.4598(8) 0.6470(11) 0.029(4) Uani 1 1 d U . .
N2 N 1.0520(16) 0.1299(7) 0.7759(11) 0.028(4) Uani 1 1 d . . .
N3 N 0.6787(19) 0.4342(11) 0.6032(12) 0.047(6) Uani 1 1 d . . .
N5 N 0.9948(16) 0.2171(8) 0.7190(11) 0.032(4) Uani 1 1 d U . .
N6 N 1.5053(18) 0.3056(10) 0.9734(11) 0.041(5) Uani 1 1 d . . .
N7 N 1.0321(16) 0.2214(8) 0.7979(11) 0.032(4) Uani 1 1 d U . .
N8 N 0.913(2) 0.1008(11) 0.4882(15) 0.058(6) Uani 1 1 d . . .
N9 N 1.0706(16) 0.3762(7) 0.7983(11) 0.031(4) Uani 1 1 d . . .
N10 N 1.1685(16) 0.4521(8) 0.8093(13) 0.041(5) Uani 1 1 d . . .
N11 N 1.1000(18) 0.1030(8) 0.9351(12) 0.035(4) Uani 1 1 d . . .
N12 N 1.0512(18) 0.4658(9) 0.7533(15) 0.052(6) Uani 1 1 d . . .
N13 N 1.165(2) 0.1060(10) 1.0195(14) 0.064(7) Uani 1 1 d . . .
N14 N 0.8073(16) 0.3645(8) 0.6756(11) 0.033(4) Uani 1 1 d U . .
N15 N 1.1938(19) 0.1895(9) 0.9761(13) 0.048(6) Uani 1 1 d . . .
O1 O 0.7544(12) 0.4705(5) 0.2429(8) 0.021(3) Uani 1 1 d . . .
O1W O 0.821(2) 0.1342(11) 0.3242(16) 0.091(7) Uani 1 1 d U . .
O2 O 0.5963(12) 0.5290(5) 0.3191(8) 0.023(3) Uani 1 1 d . . .
O2W O 1.063(3) 0.3281(13) 0.6476(18) 0.103(8) Uani 1 1 d U . .
O3 O 0.5756(11) 0.4287(5) 0.2278(7) 0.014(3) Uani 1 1 d . . .
O4 O 0.7874(12) 0.3604(5) 0.2913(8) 0.022(3) Uani 1 1 d . . .
O4W O 1.061(5) 0.285(2) 0.576(3) 0.199(19) Uiso 1 1 d . . .
O5 O 0.3443(12) 0.3211(6) 0.2836(8) 0.023(3) Uani 1 1 d . . .
O6 O 0.5472(12) 0.4410(6) 0.0956(8) 0.026(3) Uani 1 1 d . . .
O7 O 0.2487(12) 0.2828(6) 0.1314(8) 0.023(3) Uani 1 1 d . . .
O8 O 0.5858(13) 0.3309(6) 0.1477(8) 0.028(3) Uani 1 1 d . . .
O9 O 0.6995(13) 0.2578(6) 0.5240(8) 0.030(3) Uani 1 1 d . . .
O10 O 0.2589(11) 0.4281(6) 0.2594(8) 0.020(3) Uani 1 1 d . . .
O11 O 0.4520(12) 0.2205(6) 0.2026(8) 0.026(3) Uani 1 1 d . . .
O12 O 0.1328(13) 0.3375(6) -0.0204(9) 0.033(4) Uani 1 1 d . . .
O13 O 0.7882(13) 0.3617(6) 0.5146(8) 0.030(3) Uani 1 1 d . . .
O14 O 0.3494(11) 0.4924(5) 0.1424(8) 0.019(3) Uani 1 1 d U . .
O15 O 0.6645(10) 0.3625(5) 0.3580(7) 0.014(2) Uani 1 1 d U . .
O16 O 0.1436(12) 0.5058(6) 0.1269(8) 0.024(3) Uani 1 1 d . . .
O17 O 0.5483(12) 0.3502(6) 0.4272(7) 0.023(3) Uani 1 1 d . . .
O18 O 0.9388(14) 0.4538(7) 0.5546(8) 0.035(4) Uani 1 1 d . . .
O19 O 0.7666(13) 0.5747(6) 0.3112(9) 0.031(3) Uani 1 1 d . . .
O20 O 0.9283(13) 0.2658(6) 0.3948(10) 0.036(4) Uani 1 1 d . . .
O21 O 0.8980(11) 0.3651(5) 0.4523(8) 0.020(3) Uani 1 1 d . . .
O22 O 0.5432(12) 0.2614(6) 0.3511(8) 0.022(3) Uani 1 1 d U . .
O23 O 0.3435(13) 0.5118(6) 0.0090(9) 0.030(3) Uani 1 1 d U . .
O24 O 0.7811(12) 0.2703(5) 0.4353(8) 0.023(3) Uani 1 1 d . . .
O25 O 0.3377(14) 0.3687(7) 0.3998(9) 0.036(4) Uani 1 1 d . . .
O26 O 0.3747(12) 0.5249(6) 0.2740(8) 0.025(3) Uani 1 1 d . . .
O27 O 0.4656(11) 0.4592(5) 0.4058(8) 0.020(3) Uani 1 1 d . . .
O28 O 0.7913(12) 0.4686(6) 0.3830(8) 0.024(3) Uani 1 1 d . . .
O29 O 0.3644(12) 0.2876(6) 0.0713(8) 0.023(3) Uani 1 1 d . . .
O30 O 0.5669(14) 0.5672(7) 0.4310(9) 0.035(4) Uani 1 1 d . . .
O31 O 0.6873(12) 0.4645(6) 0.4461(7) 0.023(3) Uani 1 1 d . . .
O32 O 0.4638(10) 0.4243(5) 0.2896(7) 0.010(2) Uani 1 1 d U . .
O33 O 0.3201(14) 0.2026(6) 0.2542(10) 0.037(4) Uani 1 1 d . . .
O34 O 0.7550(13) 0.3870(7) 0.1493(9) 0.032(3) Uani 1 1 d . . .
O35 O 0.5487(15) 0.2111(7) 0.1222(10) 0.039(4) Uani 1 1 d . . .
O36 O 0.3471(12) 0.4034(6) 0.0660(7) 0.021(3) Uani 1 1 d . . .
O37 O 0.2382(11) 0.3984(5) 0.1279(8) 0.021(3) Uani 1 1 d . . .
O38 O 0.6738(12) 0.2667(5) 0.2758(8) 0.023(3) Uani 1 1 d . . .
O39 O 0.5510(11) 0.5325(5) 0.1726(8) 0.020(3) Uani 1 1 d U . .
O40 O 0.4589(11) 0.3320(5) 0.2122(7) 0.017(3) Uani 1 1 d . . .
P1 P 0.5400(4) 0.38735(18) 0.2711(3) 0.0110(9) Uani 1 1 d U . .
Ag1 Ag 0.9154(3) 0.29574(14) 0.6499(2) 0.0987(10) Uani 1 1 d U . .
Ag2 Ag 1.15051(19) 0.04703(7) 0.82265(14) 0.0402(6) Uani 0.944(4) 1 d P . 1
Ag2' Ag 1.085(3) 0.0442(12) 0.756(3) 0.0402(6) Uani 0.056(4) 1 d P . 2
Ag3 Ag 0.9866(3) 0.19684(9) 0.33541(16) 0.0433(6) Uani 0.944(4) 1 d P . 1
Ag3' Ag 0.938(5) 0.2049(18) 0.303(3) 0.0433(6) Uani 0.056(4) 1 d P . 2
Ag4 Ag 1.0297(2) 0.53691(9) 0.64736(14) 0.0614(7) Uani 1 1 d . . .
W1 W 0.81581(7) 0.42309(3) 0.46673(5) 0.01894(19) Uani 0.92 1 d P . .
W2 W 0.68164(8) 0.39713(4) 0.18489(5) 0.02156(19) Uani 0.92 1 d P . .
W3 W 0.53764(8) 0.50731(4) 0.37368(5) 0.0239(2) Uani 0.92 1 d P . .
W4 W 0.39394(8) 0.38591(4) 0.35452(5) 0.02069(19) Uani 0.92 1 d P . .
W5 W 0.68599(8) 0.51375(4) 0.28394(5) 0.0245(2) Uani 0.92 1 d P . .
W6 W 0.81113(7) 0.30764(3) 0.36828(5) 0.02007(19) Uani 0.92 1 d P . .
W7 W 0.27740(7) 0.46855(3) 0.18852(5) 0.01562(18) Uani 0.92 1 d P . .
W8 W 0.52439(8) 0.26418(3) 0.16563(5) 0.02107(19) Uani 0.92 1 d P . .
W9 W 0.26979(7) 0.34211(3) 0.07835(5) 0.01918(19) Uani 0.92 1 d P . .
W10 W 0.42858(7) 0.47475(3) 0.09918(5) 0.01943(19) Uani 0.92 1 d P . .
W11 W 0.38204(8) 0.26036(3) 0.24413(5) 0.0224(2) Uani 0.92 1 d P . .
W12 W 0.67191(7) 0.30114(3) 0.44679(5) 0.01980(19) Uani 0.92 1 d P . .
V1 V 0.81581(7) 0.42309(3) 0.46673(5) 0.01894(19) Uani 0.08 1 d P . .
V2 V 0.68164(8) 0.39713(4) 0.18489(5) 0.02156(19) Uani 0.08 1 d P . .
V3 V 0.53764(8) 0.50731(4) 0.37368(5) 0.0239(2) Uani 0.08 1 d P . .
V4 V 0.39394(8) 0.38591(4) 0.35452(5) 0.02069(19) Uani 0.08 1 d P . .
V5 V 0.68599(8) 0.51375(4) 0.28394(5) 0.0245(2) Uani 0.08 1 d P . .
V6 V 0.81113(7) 0.30764(3) 0.36828(5) 0.02007(19) Uani 0.08 1 d P . .
V7 V 0.27740(7) 0.46855(3) 0.18852(5) 0.01562(18) Uani 0.08 1 d P . .
V8 V 0.52439(8) 0.26418(3) 0.16563(5) 0.02107(19) Uani 0.08 1 d P . .
V9 V 0.26979(7) 0.34211(3) 0.07835(5) 0.01918(19) Uani 0.08 1 d P . .
V10 V 0.42858(7) 0.47475(3) 0.09918(5) 0.01943(19) Uani 0.08 1 d P . .
V11 V 0.38204(8) 0.26036(3) 0.24413(5) 0.0224(2) Uani 0.08 1 d P . .
V12 V 0.67191(7) 0.30114(3) 0.44679(5) 0.01980(19) Uani 0.08 1 d P . .
O3W O 0.633(3) 0.3665(16) 0.832(2) 0.140(11) Uani 1 1 d U . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N14 1.34(3) . ?
C1 N1 1.35(3) . ?
C1 C6 1.43(3) . ?
C2 C3 1.38(3) . ?
C2 C4 1.38(3) . ?
C2 C5 1.50(3) . ?
C3 C20 1.32(3) . ?
C3 H3A 0.9300 . ?
C4 C21 1.41(4) . ?
C4 H4A 0.9300 . ?
C5 N9 1.30(3) . ?
C5 N10 1.35(3) . ?
C6 N12 1.32(3) . ?
C6 N9 1.36(3) . ?
C7 C10 1.38(3) . ?
C7 C14 1.40(3) . ?
C7 C8 1.48(3) . ?
C8 N5 1.32(3) . ?
C8 N2 1.33(3) . ?
C10 C12 1.38(4) . ?
C10 H10 0.9300 . ?
C12 N8 1.33(4) . ?
C12 H12A 0.9300 . ?
C14 C15 1.41(4) . ?
C14 H14A 0.9300 . ?
C15 N8 1.32(4) . ?
C15 H15A 0.9300 . ?
C16 N3 1.31(3) . ?
C16 N14 1.34(3) . ?
C16 H16A 0.9300 . ?
C17 N15 1.35(3) . ?
C17 N13 1.38(3) . ?
C17 H17A 0.9300 . ?
C18 N15 1.33(3) . ?
C18 N11 1.37(3) . ?
C18 C22 1.45(3) . ?
C20 N6 1.36(3) . ?
C20 H20A 0.9300 . ?
C21 N6 1.25(4) . ?
C21 H21A 0.9300 . ?
C22 N7 1.32(3) . ?
C22 N2 1.34(3) . ?
N1 N3 1.32(3) . ?
N1 Ag2 2.131(18) 2_756 ?
N1 Ag2' 2.56(4) 2_756 ?
N2 Ag2' 2.14(3) . ?
N2 Ag2 2.199(16) . ?
N5 N7 1.39(2) . ?
N5 Ag1 2.142(18) . ?
N7 Ag3' 2.22(5) 4_566 ?
N7 Ag3 2.301(19) 4_566 ?
N9 Ag3 2.478(17) 4_566 ?
N10 N12 1.33(3) . ?
N11 N13 1.39(3) . ?
N11 Ag4 2.16(2) 2_746 ?
N12 Ag2' 2.58(4) 2_756 ?
N12 Ag4 2.64(2) . ?
N14 Ag1 2.515(19) . ?
N14 Ag3' 2.62(5) 4_566 ?
O1 W2 1.954(12) . ?
O1 W5 1.956(13) . ?
O1 Ag4 2.400(13) 3_766 ?
O1W Ag3' 2.58(6) . ?
O2 W3 1.887(14) . ?
O2 W5 1.893(14) . ?
O2W O4W 1.79(5) . ?
O2W Ag1 2.28(3) . ?
O3 P1 1.620(12) . ?
O3 W5 2.314(12) . ?
O3 W2 2.339(11) . ?
O3 W10 2.366(12) . ?
O4 W6 1.883(13) . ?
O4 W2 1.922(13) . ?
O5 W11 1.883(13) . ?
O5 W4 1.904(13) . ?
O6 W2 1.903(13) . ?
O6 W10 1.920(13) . ?
O7 W9 1.917(13) . ?
O7 W11 1.934(13) . ?
O8 W2 1.858(14) . ?
O8 W8 1.932(14) . ?
O9 W12 1.732(13) . ?
O10 W7 1.927(13) . ?
O10 W4 1.932(13) . ?
O10 Ag2' 2.54(4) 4_465 ?
O11 W8 1.940(14) . ?
O11 W11 1.945(13) . ?
O12 W9 1.717(14) . ?
O12 Ag3 2.471(14) 4_465 ?
O13 W1 1.927(13) . ?
O13 W12 1.928(14) . ?
O14 W7 1.907(12) . ?
O14 W10 1.910(12) . ?
O15 P1 1.634(12) . ?
O15 W12 2.304(12) . ?
O15 W6 2.346(12) . ?
O15 W1 2.351(11) . ?
O16 W7 1.703(12) . ?
O17 W4 1.888(13) . ?
O17 W12 1.913(13) . ?
O18 W1 1.688(14) . ?
O18 Ag4 2.437(15) . ?
O19 W5 1.670(13) . ?
O20 W6 1.692(14) . ?
O20 Ag3' 2.47(5) . ?
O20 Ag3 2.488(16) . ?
O21 W6 1.903(13) . ?
O21 W1 1.936(13) . ?
O22 W12 1.881(13) . ?
O22 W11 1.931(13) . ?
O23 W10 1.693(14) . ?
O24 W12 1.879(13) . ?
O24 W6 1.934(13) . ?
O25 W4 1.654(15) . ?
O26 W7 1.913(13) . ?
O26 W3 1.931(13) . ?
O27 W4 1.914(13) . ?
O27 W3 1.919(12) . ?
O28 W1 1.889(13) . ?
O28 W5 1.920(13) . ?
O29 W8 1.909(14) . ?
O29 W9 1.928(13) . ?
O30 W3 1.705(14) . ?
O31 W1 1.864(13) . ?
O31 W3 1.924(13) . ?
O32 P1 1.624(12) . ?
O32 W7 2.325(11) . ?
O32 W4 2.339(11) . ?
O32 W3 2.352(11) . ?
O33 W11 1.692(15) . ?
O34 W2 1.663(14) . ?
O35 W8 1.700(15) . ?
O36 W10 1.876(13) . ?
O36 W9 1.918(13) . ?
O37 W9 1.900(13) . ?
O37 W7 1.913(13) . ?
O38 W8 1.896(13) . ?
O38 W6 1.909(13) . ?
O39 W5 1.901(12) . ?
O39 W10 1.940(12) . ?
O40 P1 1.636(12) . ?
O40 W11 2.318(12) . ?
O40 W8 2.348(12) . ?
O40 W9 2.354(12) . ?
Ag1 Ag3' 3.05(4) 4_566 ?
Ag1 Ag3 3.370(4) 4_566 ?
Ag2 N1 2.131(18) 2_746 ?
Ag2 Ag4 3.049(3) 2_746 ?
Ag2' O10 2.54(4) 4_666 ?
Ag2' N1 2.56(4) 2_746 ?
Ag2' N12 2.58(4) 2_746 ?
Ag2' Ag4 3.37(4) 2_746 ?
Ag3 N7 2.301(19) 4_565 ?
Ag3 O12 2.471(14) 4_666 ?
Ag3 N9 2.478(17) 4_565 ?
Ag3 Ag1 3.370(4) 4_565 ?
Ag3' N7 2.22(5) 4_565 ?
Ag3' N14 2.62(5) 4_565 ?
Ag3' Ag1 3.05(4) 4_565 ?
Ag4 N11 2.16(2) 2_756 ?
Ag4 O1 2.400(14) 3_766 ?
Ag4 Ag2 3.049(3) 2_756 ?
Ag4 Ag2' 3.37(4) 2_756 ?

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
_geom_angle_publ_flag
N14 C1 N1 113.6(17) . . ?
N14 C1 C6 121.4(18) . . ?
N1 C1 C6 124.9(18) . . ?
C3 C2 C4 120(2) . . ?
C3 C2 C5 120.8(18) . . ?
C4 C2 C5 119.1(19) . . ?
C20 C3 C2 120(2) . . ?
C20 C3 H3A 119.9 . . ?
C2 C3 H3A 119.9 . . ?
C2 C4 C21 116(2) . . ?
C2 C4 H4A 122.2 . . ?
C21 C4 H4A 122.2 . . ?
N9 C5 N10 109.3(17) . . ?
N9 C5 C2 126.9(18) . . ?
N10 C5 C2 122.9(18) . . ?
N12 C6 N9 112.2(18) . . ?
N12 C6 C1 122.2(19) . . ?
N9 C6 C1 125.1(18) . . ?
C10 C7 C14 119(2) . . ?
C10 C7 C8 122(2) . . ?
C14 C7 C8 119(2) . . ?
N5 C8 N2 113.4(19) . . ?
N5 C8 C7 121(2) . . ?
N2 C8 C7 126(2) . . ?
C7 C10 C12 121(3) . . ?
C7 C10 H10 119.5 . . ?
C12 C10 H10 119.5 . . ?
N8 C12 C10 119(3) . . ?
N8 C12 H12A 120.7 . . ?
C10 C12 H12A 120.7 . . ?
C7 C14 C15 117(2) . . ?
C7 C14 H14A 121.6 . . ?
C15 C14 H14A 121.6 . . ?
N8 C15 C14 121(2) . . ?
N8 C15 H15A 119.4 . . ?
C14 C15 H15A 119.4 . . ?
N3 C16 N14 110(2) . . ?
N3 C16 H16A 125.1 . . ?
N14 C16 H16A 125.1 . . ?
N15 C17 N13 114(2) . . ?
N15 C17 H17A 123.2 . . ?
N13 C17 H17A 123.2 . . ?
N15 C18 N11 113(2) . . ?
N15 C18 C22 122(2) . . ?
N11 C18 C22 125(2) . . ?
C3 C20 N6 119(2) . . ?
C3 C20 H20A 120.5 . . ?
N6 C20 H20A 120.5 . . ?
N6 C21 C4 122(3) . . ?
N6 C21 H21A 119.2 . . ?
C4 C21 H21A 119.2 . . ?
N7 C22 N2 113.4(19) . . ?
N7 C22 C18 124(2) . . ?
N2 C22 C18 123(2) . . ?
N3 N1 C1 102.2(17) . . ?
N3 N1 Ag2 135.6(15) . 2_756 ?
C1 N1 Ag2 120.8(13) . 2_756 ?
N3 N1 Ag2' 145.0(17) . 2_756 ?
C1 N1 Ag2' 100.6(15) . 2_756 ?
Ag2 N1 Ag2' 24.7(8) 2_756 2_756 ?
C8 N2 C22 102.8(17) . . ?
C8 N2 Ag2' 108.5(18) . . ?
C22 N2 Ag2' 147.9(19) . . ?
C8 N2 Ag2 133.4(15) . . ?
C22 N2 Ag2 119.4(14) . . ?
Ag2' N2 Ag2 29.0(11) . . ?
C16 N3 N1 111.6(19) . . ?
C8 N5 N7 105.3(18) . . ?
C8 N5 Ag1 141.4(15) . . ?
N7 N5 Ag1 112.5(13) . . ?
C21 N6 C20 123(2) . . ?
C22 N7 N5 104.9(17) . . ?
C22 N7 Ag3' 137.6(19) . 4_566 ?
N5 N7 Ag3' 110.0(18) . 4_566 ?
C22 N7 Ag3 133.8(15) . 4_566 ?
N5 N7 Ag3 119.9(13) . 4_566 ?
Ag3' N7 Ag3 15.3(13) 4_566 4_566 ?
C15 N8 C12 123(3) . . ?
C5 N9 C6 104.7(17) . . ?
C5 N9 Ag3 134.1(14) . 4_566 ?
C6 N9 Ag3 115.0(13) . 4_566 ?
N12 N10 C5 109.2(17) . . ?
C18 N11 N13 107(2) . . ?
C18 N11 Ag4 126.3(15) . 2_746 ?
N13 N11 Ag4 126.4(16) . 2_746 ?
C6 N12 N10 104.6(19) . . ?
C6 N12 Ag2' 98.3(16) . 2_756 ?
N10 N12 Ag2' 134.0(19) . 2_756 ?
C6 N12 Ag4 136.4(17) . . ?
N10 N12 Ag4 107.0(15) . . ?
Ag2' N12 Ag4 80.4(10) 2_756 . ?
C17 N13 N11 104(2) . . ?
C16 N14 C1 102.9(18) . . ?
C16 N14 Ag1 124.3(14) . . ?
C1 N14 Ag1 103.5(13) . . ?
C16 N14 Ag3' 136.1(18) . 4_566 ?
C1 N14 Ag3' 111.9(16) . 4_566 ?
Ag1 N14 Ag3' 73.0(11) . 4_566 ?
C18 N15 C17 103(2) . . ?
W2 O1 W5 120.3(6) . . ?
W2 O1 Ag4 112.3(6) . 3_766 ?
W5 O1 Ag4 108.2(6) . 3_766 ?
W3 O2 W5 151.6(7) . . ?
O4W O2W Ag1 109(2) . . ?
P1 O3 W5 124.8(6) . . ?
P1 O3 W2 124.2(6) . . ?
W5 O3 W2 93.6(4) . . ?
P1 O3 W10 123.0(6) . . ?
W5 O3 W10 91.0(4) . . ?
W2 O3 W10 90.8(4) . . ?
W6 O4 W2 150.0(7) . . ?
W11 O5 W4 150.2(8) . . ?
W2 O6 W10 122.3(7) . . ?
W9 O7 W11 120.7(7) . . ?
W2 O8 W8 151.6(8) . . ?
W7 O10 W4 120.5(6) . . ?
W7 O10 Ag2' 119.0(10) . 4_465 ?
W4 O10 Ag2' 117.8(11) . 4_465 ?
W8 O11 W11 120.4(7) . . ?
W9 O12 Ag3 156.7(9) . 4_465 ?
W1 O13 W12 121.0(7) . . ?
W7 O14 W10 150.9(7) . . ?
P1 O15 W12 125.2(6) . . ?
P1 O15 W6 124.0(6) . . ?
W12 O15 W6 91.5(4) . . ?
P1 O15 W1 123.0(6) . . ?
W12 O15 W1 92.2(4) . . ?
W6 O15 W1 91.3(4) . . ?
W4 O17 W12 150.9(7) . . ?
W1 O18 Ag4 148.8(9) . . ?
W6 O20 Ag3' 127.8(15) . . ?
W6 O20 Ag3 141.8(9) . . ?
Ag3' O20 Ag3 14.1(11) . . ?
W6 O21 W1 122.1(6) . . ?
W12 O22 W11 150.8(8) . . ?
W12 O24 W6 121.8(6) . . ?
W7 O26 W3 121.5(6) . . ?
W4 O27 W3 121.7(6) . . ?
W1 O28 W5 150.1(8) . . ?
W8 O29 W9 122.5(7) . . ?
W1 O31 W3 151.5(7) . . ?
P1 O32 W7 124.3(6) . . ?
P1 O32 W4 123.8(6) . . ?
W7 O32 W4 91.9(4) . . ?
P1 O32 W3 124.5(6) . . ?
W7 O32 W3 91.7(4) . . ?
W4 O32 W3 91.1(4) . . ?
W10 O36 W9 150.8(7) . . ?
W9 O37 W7 151.4(7) . . ?
W8 O38 W6 151.5(7) . . ?
W5 O39 W10 120.6(7) . . ?
P1 O40 W11 125.0(7) . . ?
P1 O40 W8 124.1(6) . . ?
W11 O40 W8 92.5(4) . . ?
P1 O40 W9 122.8(6) . . ?
W11 O40 W9 91.5(4) . . ?
W8 O40 W9 91.4(4) . . ?
O3 P1 O32 109.7(6) . . ?
O3 P1 O15 109.2(6) . . ?
O32 P1 O15 109.3(6) . . ?
O3 P1 O40 111.0(7) . . ?
O32 P1 O40 109.6(6) . . ?
O15 P1 O40 108.0(6) . . ?
N5 Ag1 O2W 101.5(9) . . ?
N5 Ag1 N14 121.2(7) . . ?
O2W Ag1 N14 120.8(9) . . ?
N5 Ag1 Ag3' 67.9(10) . 4_566 ?
O2W Ag1 Ag3' 124.3(12) . 4_566 ?
N14 Ag1 Ag3' 55.1(11) . 4_566 ?
N5 Ag1 Ag3 67.6(5) . 4_566 ?
O2W Ag1 Ag3 115.0(7) . 4_566 ?
N14 Ag1 Ag3 58.6(4) . 4_566 ?
Ag3' Ag1 Ag3 9.3(10) 4_566 4_566 ?
N1 Ag2 N2 169.6(7) 2_746 . ?
N1 Ag2 Ag4 96.9(5) 2_746 2_746 ?
N2 Ag2 Ag4 76.9(5) . 2_746 ?
N2 Ag2' O10 95.8(13) . 4_666 ?
N2 Ag2' N1 133(2) . 2_746 ?
O10 Ag2' N1 88.7(12) 4_666 2_746 ?
N2 Ag2' N12 114.2(16) . 2_746 ?
O10 Ag2' N12 149.8(14) 4_666 2_746 ?
N1 Ag2' N12 69.3(10) 2_746 2_746 ?
N2 Ag2' Ag4 70.5(11) . 2_746 ?
O10 Ag2' Ag4 148.8(16) 4_666 2_746 ?
N1 Ag2' Ag4 81.7(11) 2_746 2_746 ?
N12 Ag2' Ag4 50.5(8) 2_746 2_746 ?
N7 Ag3 O12 119.1(6) 4_565 4_666 ?
N7 Ag3 N9 98.2(6) 4_565 4_565 ?
O12 Ag3 N9 88.6(6) 4_666 4_565 ?
N7 Ag3 O20 85.0(6) 4_565 . ?
O12 Ag3 O20 82.8(5) 4_666 . ?
N9 Ag3 O20 171.3(6) 4_565 . ?
N7 Ag3 Ag1 59.7(5) 4_565 4_565 ?
O12 Ag3 Ag1 146.8(4) 4_666 4_565 ?
N9 Ag3 Ag1 60.5(4) 4_565 4_565 ?
O20 Ag3 Ag1 127.6(4) . 4_565 ?
N7 Ag3' O20 87.1(17) 4_565 . ?
N7 Ag3' O1W 168(2) 4_565 . ?
O20 Ag3' O1W 81.5(15) . . ?
N7 Ag3' N14 118.0(19) 4_565 4_565 ?
O20 Ag3' N14 142(2) . 4_565 ?
O1W Ag3' N14 71.2(15) . 4_565 ?
N7 Ag3' Ag1 66.3(12) 4_565 4_565 ?
O20 Ag3' Ag1 144.8(17) . 4_565 ?
O1W Ag3' Ag1 123.1(19) . 4_565 ?
N14 Ag3' Ag1 51.9(9) 4_565 4_565 ?
N11 Ag4 O1 137.5(6) 2_756 3_766 ?
N11 Ag4 O18 99.8(6) 2_756 . ?
O1 Ag4 O18 114.2(5) 3_766 . ?
N11 Ag4 N12 134.1(7) 2_756 . ?
O1 Ag4 N12 76.2(5) 3_766 . ?
O18 Ag4 N12 84.5(6) . . ?
N11 Ag4 Ag2 73.0(5) 2_756 2_756 ?
O1 Ag4 Ag2 123.0(3) 3_766 2_756 ?
O18 Ag4 Ag2 98.2(4) . 2_756 ?
N12 Ag4 Ag2 61.2(5) . 2_756 ?
N11 Ag4 Ag2' 87.3(8) 2_756 2_756 ?
O1 Ag4 Ag2' 104.3(7) 3_766 2_756 ?
O18 Ag4 Ag2' 108.3(7) . 2_756 ?
N12 Ag4 Ag2' 49.1(7) . 2_756 ?
Ag2 Ag4 Ag2' 18.7(7) 2_756 2_756 ?
O18 W1 O31 102.5(7) . . ?
O18 W1 O28 103.4(6) . . ?
O31 W1 O28 86.5(6) . . ?
O18 W1 O13 98.7(7) . . ?
O31 W1 O13 89.5(6) . . ?
O28 W1 O13 157.9(6) . . ?
O18 W1 O21 98.9(7) . . ?
O31 W1 O21 158.6(5) . . ?
O28 W1 O21 89.9(5) . . ?
O13 W1 O21 86.0(6) . . ?
O18 W1 O15 168.3(6) . . ?
O31 W1 O15 85.7(5) . . ?
O28 W1 O15 85.2(5) . . ?
O13 W1 O15 72.8(5) . . ?
O21 W1 O15 72.9(4) . . ?
O34 W2 O8 101.8(7) . . ?
O34 W2 O6 99.0(6) . . ?
O8 W2 O6 91.0(6) . . ?
O34 W2 O4 102.6(6) . . ?
O8 W2 O4 86.8(6) . . ?
O6 W2 O4 158.2(6) . . ?
O34 W2 O1 99.7(6) . . ?
O8 W2 O1 158.4(6) . . ?
O6 W2 O1 87.2(6) . . ?
O4 W2 O1 87.0(5) . . ?
O34 W2 O3 169.7(6) . . ?
O8 W2 O3 86.0(5) . . ?
O6 W2 O3 73.9(5) . . ?
O4 W2 O3 84.3(5) . . ?
O1 W2 O3 72.7(5) . . ?
O30 W3 O2 102.7(6) . . ?
O30 W3 O27 99.1(6) . . ?
O2 W3 O27 158.2(5) . . ?
O30 W3 O31 102.3(6) . . ?
O2 W3 O31 85.1(5) . . ?
O27 W3 O31 90.1(5) . . ?
O30 W3 O26 100.2(6) . . ?
O2 W3 O26 88.8(6) . . ?
O27 W3 O26 87.7(6) . . ?
O31 W3 O26 157.5(5) . . ?
O30 W3 O32 169.7(6) . . ?
O2 W3 O32 85.0(5) . . ?
O27 W3 O32 73.4(5) . . ?
O31 W3 O32 84.9(5) . . ?
O26 W3 O32 72.9(5) . . ?
O25 W4 O17 100.3(7) . . ?
O25 W4 O5 101.3(7) . . ?
O17 W4 O5 86.9(6) . . ?
O25 W4 O27 99.7(7) . . ?
O17 W4 O27 90.2(6) . . ?
O5 W4 O27 159.0(5) . . ?
O25 W4 O10 100.9(7) . . ?
O17 W4 O10 158.7(5) . . ?
O5 W4 O10 87.7(5) . . ?
O27 W4 O10 87.5(5) . . ?
O25 W4 O32 171.4(6) . . ?
O17 W4 O32 85.5(5) . . ?
O5 W4 O32 85.2(5) . . ?
O27 W4 O32 73.8(5) . . ?
O10 W4 O32 73.6(5) . . ?
O19 W5 O2 101.8(6) . . ?
O19 W5 O39 99.3(6) . . ?
O2 W5 O39 92.2(5) . . ?
O19 W5 O28 101.4(6) . . ?
O2 W5 O28 85.8(5) . . ?
O39 W5 O28 159.2(5) . . ?
O19 W5 O1 98.5(6) . . ?
O2 W5 O1 159.4(5) . . ?
O39 W5 O1 88.1(5) . . ?
O28 W5 O1 86.7(6) . . ?
O19 W5 O3 170.0(6) . . ?
O2 W5 O3 86.9(5) . . ?
O39 W5 O3 75.1(5) . . ?
O28 W5 O3 84.1(5) . . ?
O1 W5 O3 73.3(5) . . ?
O20 W6 O4 104.0(6) . . ?
O20 W6 O21 100.1(7) . . ?
O4 W6 O21 90.1(5) . . ?
O20 W6 O38 101.9(7) . . ?
O4 W6 O38 86.6(5) . . ?
O21 W6 O38 157.9(5) . . ?
O20 W6 O24 98.5(6) . . ?
O4 W6 O24 157.5(5) . . ?
O21 W6 O24 86.9(6) . . ?
O38 W6 O24 87.7(6) . . ?
O20 W6 O15 168.9(6) . . ?
O4 W6 O15 85.5(5) . . ?
O21 W6 O15 73.6(5) . . ?
O38 W6 O15 84.3(5) . . ?
O24 W6 O15 72.3(5) . . ?
O16 W7 O14 100.3(6) . . ?
O16 W7 O26 99.0(6) . . ?
O14 W7 O26 89.0(6) . . ?
O16 W7 O37 102.4(6) . . ?
O14 W7 O37 85.5(5) . . ?
O26 W7 O37 158.5(5) . . ?
O16 W7 O10 100.8(6) . . ?
O14 W7 O10 158.9(5) . . ?
O26 W7 O10 88.6(6) . . ?
O37 W7 O10 89.1(5) . . ?
O16 W7 O32 171.1(5) . . ?
O14 W7 O32 85.2(5) . . ?
O26 W7 O32 73.9(5) . . ?
O37 W7 O32 84.9(5) . . ?
O10 W7 O32 74.0(4) . . ?
O35 W8 O38 102.9(7) . . ?
O35 W8 O29 99.6(7) . . ?
O38 W8 O29 157.3(5) . . ?
O35 W8 O8 100.9(7) . . ?
O38 W8 O8 85.4(6) . . ?
O29 W8 O8 87.8(6) . . ?
O35 W8 O11 101.2(7) . . ?
O38 W8 O11 89.7(6) . . ?
O29 W8 O11 88.5(6) . . ?
O8 W8 O11 157.9(6) . . ?
O35 W8 O40 170.9(6) . . ?
O38 W8 O40 84.5(5) . . ?
O29 W8 O40 73.3(5) . . ?
O8 W8 O40 84.8(5) . . ?
O11 W8 O40 73.2(5) . . ?
O12 W9 O37 102.8(6) . . ?
O12 W9 O7 100.4(6) . . ?
O37 W9 O7 88.8(5) . . ?
O12 W9 O36 100.9(6) . . ?
O37 W9 O36 86.5(5) . . ?
O7 W9 O36 158.8(5) . . ?
O12 W9 O29 100.2(6) . . ?
O37 W9 O29 157.0(5) . . ?
O7 W9 O29 88.1(6) . . ?
O36 W9 O29 88.3(5) . . ?
O12 W9 O40 170.7(6) . . ?
O37 W9 O40 84.5(5) . . ?
O7 W9 O40 73.6(5) . . ?
O36 W9 O40 85.3(5) . . ?
O29 W9 O40 72.8(5) . . ?
O23 W10 O36 101.5(6) . . ?
O23 W10 O14 102.4(6) . . ?
O36 W10 O14 86.9(5) . . ?
O23 W10 O6 100.0(6) . . ?
O36 W10 O6 89.1(6) . . ?
O14 W10 O6 157.6(5) . . ?
O23 W10 O39 100.3(6) . . ?
O36 W10 O39 158.2(5) . . ?
O14 W10 O39 88.9(5) . . ?
O6 W10 O39 86.6(6) . . ?
O23 W10 O3 170.4(6) . . ?
O36 W10 O3 85.1(5) . . ?
O14 W10 O3 84.7(5) . . ?
O6 W10 O3 73.0(5) . . ?
O39 W10 O3 73.2(5) . . ?
O33 W11 O5 101.9(7) . . ?
O33 W11 O22 101.1(7) . . ?
O5 W11 O22 86.6(5) . . ?
O33 W11 O7 100.6(7) . . ?
O5 W11 O7 90.5(6) . . ?
O22 W11 O7 158.2(6) . . ?
O33 W11 O11 98.8(7) . . ?
O5 W11 O11 159.3(6) . . ?
O22 W11 O11 87.6(6) . . ?
O7 W11 O11 87.5(6) . . ?
O33 W11 O40 170.9(6) . . ?
O5 W11 O40 85.8(5) . . ?
O22 W11 O40 84.1(5) . . ?
O7 W11 O40 74.2(5) . . ?
O11 W11 O40 73.9(5) . . ?
O9 W12 O24 101.7(6) . . ?
O9 W12 O22 101.8(6) . . ?
O24 W12 O22 89.9(6) . . ?
O9 W12 O17 99.3(6) . . ?
O24 W12 O17 159.0(5) . . ?
O22 W12 O17 85.7(6) . . ?
O9 W12 O13 98.9(6) . . ?
O24 W12 O13 88.7(6) . . ?
O22 W12 O13 159.1(6) . . ?
O17 W12 O13 88.2(6) . . ?
O9 W12 O15 171.7(6) . . ?
O24 W12 O15 74.3(5) . . ?
O22 W12 O15 85.6(5) . . ?
O17 W12 O15 84.9(5) . . ?
O13 W12 O15 73.9(5) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         6.428
_refine_diff_density_min         -8.373
_refine_diff_density_rms         0.407




_database_code_depnum_ccdc_archive 'CCDC 989999'
