# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2014

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#
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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
#  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
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data_AGNBU

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
Bis(n-tetrabutylammonium)bis(tribenzonitrilesilver)di-mu5-oxo
-icosa-mu-oxo-decaoxodecatungstate
;
_chemical_name_common            
;
Bis(n-tetrabutylammonium)bis(tribenzonitrilesilver)decatungstate
;
_chemical_melting_point          'not measured'
_chemical_formula_moiety         '2(C16 H36 N),2(C21 H15 N3 Ag), W10 O32'
_chemical_formula_sum            'C74 H102 Ag2 N8 O32 W10'
_chemical_formula_weight         3669.89

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'
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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'

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

_cell_length_a                   16.0555(6)
_cell_length_b                   24.2744(9)
_cell_length_c                   25.2143(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     9827.0(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    'not measured'
_cell_measurement_theta_min      'not measured'
_cell_measurement_theta_max      'not measured'

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6768
_exptl_absorpt_coefficient_mu    12.115
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.1930
_exptl_absorpt_correction_T_max  0.5998
_exptl_absorpt_process_details   
;
The absorption correction (X-RED; Stoe & Cie, 2001) 
was performed after optimizing the crystal shape 
using X-SHAPE (Stoe & Cie, 1999).
;
_exptl_special_details           
; 
A suitable single crystal was carefully selected under a visible light
microscope and mounted in a glass capillary. The scattering 
intensities were collected on an imaging plate diffractometer 
(IPDS II, STOE & Cie) equipped with a fine focus sealed tube 
X-ray source (Mo Kα, λ = 0.71073 Å) operating at 
50 kV and 40 mA. Intensity data for (NBu₄)₂[Ag(PhCN)₃]₂(W₁₀O₃₂)   
were collected at 293(2) K by ω-scans in 180 frames 
(0 < ω < 180°; φ = O°, 0 < ω < 180°; φ = 90°, 
exposure time of 12 min). 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'IPDS II (Stoe & Cie)'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 'not measured'
_diffrn_standards_number         'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_decay_%        'not measured'
_diffrn_reflns_number            149947
_diffrn_reflns_av_R_equivalents  0.0694
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.615
_diffrn_reflns_theta_max         27.471
_diffrn_reflns_theta_full        25.242
_reflns_number_total             11088
_reflns_number_gt                8411
_reflns_threshold_expression     >4sigma(I)

_computing_data_collection       'X-Area, (Stoe, 2001)'
_computing_cell_refinement       'X-Area, (Stoe, 2001)'
_computing_data_reduction        'X-Area, (Stoe, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Diamond v3.2 (Crystal Impact 2011)'
_computing_publication_material  'Diamond v3.2 (Crystal Impact 2011)'

_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 > 4sigma(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. 
;

_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)+(0.0908P)²+0.0000P] 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     SHELXL
_refine_ls_extinction_coef       0.00078(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         11088
_refine_ls_number_parameters     569
_refine_ls_number_restraints     46
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0463
_refine_ls_wR_factor_ref         0.1291
_refine_ls_wR_factor_gt          0.1177
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1A C 0.1401(8) 0.2992(5) 0.5634(5) 0.072(3) Uani 1 1 d . . . . .
H1A1 H 0.0988 0.3068 0.5363 0.087 Uiso 1 1 calc R U . . .
H1A2 H 0.1659 0.3339 0.5731 0.087 Uiso 1 1 calc R U . . .
C1B C 0.1429(10) -0.0563(6) 0.6588(7) 0.087(4) Uani 1 1 d . . . . .
C2A C 0.0962(8) 0.2759(6) 0.6119(6) 0.081(4) Uani 1 1 d . . . . .
H2A1 H 0.0742 0.2397 0.6037 0.098 Uiso 1 1 calc R U . . .
H2A2 H 0.1358 0.2720 0.6407 0.098 Uiso 1 1 calc R U . . .
C3B C 0.2721(9) -0.0914(6) 0.6968(6) 0.081(3) Uani 1 1 d . U . . .
H3B H 0.2978 -0.0880 0.6639 0.098 Uiso 1 1 calc R U . . .
C4B C 0.3165(12) -0.1110(8) 0.7392(7) 0.108(5) Uani 1 1 d . U . . .
H4B H 0.3722 -0.1208 0.7354 0.129 Uiso 1 1 calc R U . . .
C5B C 0.2768(13) -0.1160(9) 0.7884(8) 0.120(5) Uani 1 1 d . U . . .
H5B H 0.3066 -0.1289 0.8175 0.144 Uiso 1 1 calc R U . . .
C6B C 0.1955(12) -0.1022(8) 0.7940(7) 0.112(5) Uani 1 1 d D U . . .
H6B H 0.1698 -0.1060 0.8269 0.134 Uiso 1 1 calc R U . . .
C7B C 0.1513(10) -0.0828(7) 0.7520(6) 0.094(4) Uani 1 1 d D U . . .
H7B H 0.0955 -0.0736 0.7563 0.113 Uiso 1 1 calc R U . . .
C2B C 0.1895(9) -0.0767(6) 0.7025(5) 0.075(3) Uani 1 1 d . U . . .
C3A C 0.0261(9) 0.3132(7) 0.6290(7) 0.089(4) Uani 1 1 d . U . . .
H3A1 H -0.0164 0.3137 0.6017 0.107 Uiso 1 1 calc R U . . .
H3A2 H 0.0471 0.3504 0.6330 0.107 Uiso 1 1 calc R U . . .
C4A C -0.0125(11) 0.2943(8) 0.6812(8) 0.107(5) Uani 1 1 d . U . . .
H4A1 H -0.0566 0.3190 0.6910 0.161 Uiso 1 1 calc R U . . .
H4A2 H 0.0293 0.2942 0.7084 0.161 Uiso 1 1 calc R U . . .
H4A3 H -0.0345 0.2578 0.6770 0.161 Uiso 1 1 calc R U . . .
C5A C 0.1708(9) 0.2081(5) 0.5212(6) 0.081(4) Uani 1 1 d . . . . .
H5A1 H 0.1533 0.1872 0.5520 0.097 Uiso 1 1 calc R U . . .
H5A2 H 0.2145 0.1874 0.5037 0.097 Uiso 1 1 calc R U . . .
C6A C 0.0970(15) 0.2129(8) 0.4833(10) 0.137(9) Uani 1 1 d . . . . .
H6A1 H 0.1117 0.2359 0.4533 0.164 Uiso 1 1 calc R U . . .
H6A2 H 0.0499 0.2295 0.5014 0.164 Uiso 1 1 calc R U . . .
C7A C 0.074(3) 0.1540(11) 0.4641(12) 0.183(14) Uani 1 1 d . . . . .
H7A1 H 0.1214 0.1301 0.4703 0.220 Uiso 1 1 calc R U . A 1
H7A2 H 0.0286 0.1405 0.4859 0.220 Uiso 1 1 calc R U . A 1
C8A C 0.2719(8) 0.2471(6) 0.5803(6) 0.079(4) Uani 1 1 d . . . . .
H8A1 H 0.2458 0.2250 0.6077 0.095 Uiso 1 1 calc R U . . .
H8A2 H 0.3135 0.2242 0.5631 0.095 Uiso 1 1 calc R U . . .
C9A C 0.3154(10) 0.2947(7) 0.6063(8) 0.102(5) Uani 1 1 d . . . . .
H9A1 H 0.2745 0.3181 0.6234 0.122 Uiso 1 1 calc R U . . .
H9A2 H 0.3436 0.3164 0.5795 0.122 Uiso 1 1 calc R U . . .
C10A C 0.3786(14) 0.2752(10) 0.6473(10) 0.143(8) Uani 1 1 d . U . . .
H10A H 0.4184 0.3043 0.6546 0.172 Uiso 1 1 calc R U . . .
H10B H 0.4089 0.2436 0.6338 0.172 Uiso 1 1 calc R U . . .
C11A C 0.3313(19) 0.2591(13) 0.6994(12) 0.181(11) Uani 1 1 d . U . . .
H11A H 0.3707 0.2472 0.7256 0.272 Uiso 1 1 calc R U . . .
H11B H 0.2929 0.2298 0.6920 0.272 Uiso 1 1 calc R U . . .
H11C H 0.3013 0.2905 0.7124 0.272 Uiso 1 1 calc R U . . .
C12A C 0.2460(7) 0.2934(5) 0.4941(5) 0.070(3) Uani 1 1 d . . . . .
H12A H 0.2033 0.2996 0.4676 0.084 Uiso 1 1 calc R U . . .
H12B H 0.2629 0.3292 0.5074 0.084 Uiso 1 1 calc R U . . .
C13A C 0.3196(10) 0.2680(7) 0.4669(7) 0.095(5) Uani 1 1 d . . . . .
H13A H 0.3044 0.2317 0.4541 0.114 Uiso 1 1 calc R U . . .
H13B H 0.3644 0.2636 0.4923 0.114 Uiso 1 1 calc R U . . .
C14A C 0.3503(13) 0.3023(9) 0.4208(8) 0.121(6) Uani 1 1 d . . . . .
H14A H 0.3530 0.3406 0.4316 0.146 Uiso 1 1 calc R U . . .
H14B H 0.4062 0.2906 0.4115 0.146 Uiso 1 1 calc R U . . .
C15C C 0.049(8) 0.148(3) 0.408(4) 0.28(5) Uiso 0.63(10) 1 d . . P B 1
H15A H 0.0411 0.1102 0.4001 0.420 Uiso 0.63(10) 1 calc R U P B 1
H15B H 0.0926 0.1631 0.3861 0.420 Uiso 0.63(10) 1 calc R U P B 1
H15C H -0.0013 0.1683 0.4023 0.420 Uiso 0.63(10) 1 calc R U P B 1
C15D C 0.108(4) 0.151(2) 0.420(3) 0.11(3) Uiso 0.37(10) 1 d . . P B 2
H15D H 0.0867 0.1192 0.4017 0.166 Uiso 0.37(10) 1 calc R U P B 2
H15E H 0.1671 0.1464 0.4252 0.166 Uiso 0.37(10) 1 calc R U P B 2
H15F H 0.0973 0.1834 0.4004 0.166 Uiso 0.37(10) 1 calc R U P B 2
C16A C 0.2971(16) 0.2976(15) 0.3745(11) 0.181(13) Uani 1 1 d . . . . .
H16A H 0.3185 0.3205 0.3466 0.272 Uiso 1 1 calc R U . . .
H16C H 0.2417 0.3092 0.3834 0.272 Uiso 1 1 calc R U . . .
H16D H 0.2960 0.2600 0.3628 0.272 Uiso 1 1 calc R U . . .
C21B C 0.0661(10) 0.1118(7) 0.6444(7) 0.090(4) Uani 1 1 d . . . . .
C22B C 0.0602(5) 0.1355(3) 0.6954(2) 0.087(4) Uani 1 1 d G . . . .
C23B C 0.1285(6) 0.1625(4) 0.7170(2) 0.119(7) Uani 1 1 d G . . . .
H23B H 0.1778 0.1652 0.6978 0.142 Uiso 1 1 calc R U . . .
C24B C 0.1233(6) 0.1854(4) 0.7674(2) 0.141(9) Uani 1 1 d G . . . .
H24B H 0.1691 0.2035 0.7819 0.169 Uiso 1 1 calc R U . . .
C25B C 0.0497(7) 0.1814(3) 0.7962(2) 0.167(13) Uani 1 1 d G U . . .
H25B H 0.0462 0.1967 0.8299 0.201 Uiso 1 1 calc R U . . .
C26B C -0.0187(7) 0.1544(4) 0.7745(3) 0.174(13) Uani 1 1 d G U . . .
H26B H -0.0679 0.1517 0.7938 0.209 Uiso 1 1 calc R U . . .
C27B C -0.0135(6) 0.1315(4) 0.7241(3) 0.139(9) Uani 1 1 d G . . . .
H27B H -0.0592 0.1134 0.7097 0.167 Uiso 1 1 calc R U . . .
C31B C 0.1297(7) -0.0068(6) 0.4250(5) 0.070(3) Uani 1 1 d . . . . .
C32B C 0.1600(4) -0.0173(2) 0.37277(19) 0.067(3) Uani 1 1 d G . . . .
C33B C 0.1095(4) -0.0072(3) 0.3291(2) 0.081(4) Uani 1 1 d G . . . .
H33B H 0.0565 0.0076 0.3338 0.097 Uiso 1 1 calc R U . . .
C34B C 0.1381(5) -0.0190(3) 0.27834(19) 0.089(4) Uani 1 1 d G . . . .
H34B H 0.1043 -0.0122 0.2491 0.107 Uiso 1 1 calc R U . . .
C35B C 0.2172(5) -0.0410(3) 0.2712(2) 0.095(5) Uani 1 1 d G . . . .
H35B H 0.2364 -0.0489 0.2373 0.114 Uiso 1 1 calc R U . . .
C36B C 0.2678(5) -0.0511(4) 0.3149(2) 0.100(5) Uani 1 1 d G . . . .
H36B H 0.3207 -0.0659 0.3101 0.120 Uiso 1 1 calc R U . . .
C37B C 0.2394(10) -0.0393(7) 0.3658(5) 0.089(4) Uani 1 1 d G . . . .
H37B H 0.2732 -0.0460 0.3950 0.106 Uiso 1 1 calc R U . . .
N1A N 0.2065(6) 0.2618(4) 0.5398(4) 0.071(3) Uani 1 1 d . . . . .
N1B N 0.1068(10) -0.0420(7) 0.6215(6) 0.115(5) Uani 1 1 d . . . . .
N11B N 0.1037(6) 0.0014(6) 0.4664(4) 0.080(3) Uani 1 1 d . . . . .
N21B N 0.0703(10) 0.0896(7) 0.6046(7) 0.109(4) Uani 1 1 d . . . . .
O1 O 0.4965(5) -0.0423(3) 0.6753(3) 0.0624(18) Uani 1 1 d . . . . .
O2 O 0.5418(4) 0.0530(3) 0.6157(2) 0.0486(14) Uani 1 1 d . . . . .
O3 O 0.3853(4) 0.0369(3) 0.6468(2) 0.0517(15) Uani 1 1 d . . . . .
O4 O 0.3820(4) -0.0556(3) 0.5898(3) 0.0514(15) Uani 1 1 d . . . . .
O5 O 0.5951(4) 0.0655(3) 0.5155(3) 0.0487(14) Uani 1 1 d . . . . .
O6 O 0.5859(4) 0.1588(3) 0.5764(3) 0.0593(17) Uani 1 1 d . . . . .
O7 O 0.4257(4) 0.1308(3) 0.6000(3) 0.0529(15) Uani 1 1 d . . . . .
O8 O 0.4215(3) 0.0389(2) 0.5451(2) 0.0342(11) Uani 1 1 d . . . . .
O9 O 0.2607(4) 0.1196(3) 0.6384(3) 0.0619(18) Uani 1 1 d . . . . .
O10 O 0.2648(4) 0.0226(3) 0.5745(3) 0.0516(15) Uani 1 1 d . . . . .
O11 O 0.2454(5) -0.0741(3) 0.5218(3) 0.0646(19) Uani 1 1 d . . . . .
O12 O 0.3097(4) 0.1165(3) 0.5299(3) 0.0527(16) Uani 1 1 d . . . . .
O13 O 0.3068(4) 0.0233(3) 0.4724(2) 0.0469(14) Uani 1 1 d . . . . .
O14 O 0.4540(4) 0.0481(3) 0.4298(3) 0.0487(14) Uani 1 1 d . . . . .
O15 O 0.4666(4) 0.1318(3) 0.4975(3) 0.0477(14) Uani 1 1 d . . . . .
O16 O 0.3331(5) 0.1282(3) 0.4234(3) 0.0642(18) Uani 1 1 d . . . . .
Ag1 Ag 0.10864(7) 0.01847(6) 0.55157(4) 0.0853(3) Uani 1 1 d . . . . .
W1 W 0.47230(2) -0.01096(2) 0.61689(2) 0.04404(11) Uani 1 1 d . . . . .
W2 W 0.52096(2) 0.10634(2) 0.56077(2) 0.04403(11) Uani 1 1 d . . . . .
W3 W 0.32851(2) 0.08391(2) 0.59871(2) 0.04577(11) Uani 1 1 d . . . . .
W4 W 0.32694(2) -0.02957(2) 0.52738(2) 0.04371(11) Uani 1 1 d . . . . .
W5 W 0.37553(2) 0.08785(2) 0.47126(2) 0.04450(11) Uani 1 1 d . . . . .


_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
C1A N1A 1.521(15) . ?
C1A C2A 1.521(18) . ?
C1A H1A1 0.9700 . ?
C1A H1A2 0.9700 . ?
C1B N1B 1.16(2) . ?
C1B C2B 1.42(2) . ?
C2A C3A 1.508(19) . ?
C2A H2A1 0.9700 . ?
C2A H2A2 0.9700 . ?
C3B C4B 1.37(2) . ?
C3B C2B 1.38(2) . ?
C3B H3B 0.9300 . ?
C4B C5B 1.40(3) . ?
C4B H4B 0.9300 . ?
C5B C6B 1.35(3) . ?
C5B H5B 0.9300 . ?
C6B C7B 1.359(16) . ?
C6B H6B 0.9300 . ?
C7B C2B 1.399(17) . ?
C7B H7B 0.9300 . ?
C3A C4A 1.53(2) . ?
C3A H3A1 0.9700 . ?
C3A H3A2 0.9700 . ?
C4A H4A1 0.9600 . ?
C4A H4A2 0.9600 . ?
C4A H4A3 0.9600 . ?
C5A N1A 1.499(16) . ?
C5A C6A 1.53(2) . ?
C5A H5A1 0.9700 . ?
C5A H5A2 0.9700 . ?
C6A C7A 1.55(3) . ?
C6A H6A1 0.9700 . ?
C6A H6A2 0.9700 . ?
C7A C15D 1.23(6) . ?
C7A C15C 1.47(11) . ?
C7A H7A1 0.9700 . ?
C7A H7A2 0.9700 . ?
C8A C9A 1.50(2) . ?
C8A N1A 1.508(14) . ?
C8A H8A1 0.9700 . ?
C8A H8A2 0.9700 . ?
C9A C10A 1.52(2) . ?
C9A H9A1 0.9700 . ?
C9A H9A2 0.9700 . ?
C10A C11A 1.57(4) . ?
C10A H10A 0.9700 . ?
C10A H10B 0.9700 . ?
C11A H11A 0.9600 . ?
C11A H11B 0.9600 . ?
C11A H11C 0.9600 . ?
C12A C13A 1.499(17) . ?
C12A N1A 1.521(16) . ?
C12A H12A 0.9700 . ?
C12A H12B 0.9700 . ?
C13A C14A 1.51(3) . ?
C13A H13A 0.9700 . ?
C13A H13B 0.9700 . ?
C14A C16A 1.45(3) . ?
C14A H14A 0.9700 . ?
C14A H14B 0.9700 . ?
C15C H15A 0.9600 . ?
C15C H15B 0.9600 . ?
C15C H15C 0.9600 . ?
C15D H15D 0.9600 . ?
C15D H15E 0.9600 . ?
C15D H15F 0.9600 . ?
C16A H16A 0.9600 . ?
C16A H16C 0.9600 . ?
C16A H16D 0.9600 . ?
C21B N21B 1.14(2) . ?
C21B C22B 1.413(19) . ?
C22B C23B 1.3900 . ?
C22B C27B 1.3900 . ?
C23B C24B 1.3900 . ?
C23B H23B 0.9300 . ?
C24B C25B 1.3900 . ?
C24B H24B 0.9300 . ?
C25B C26B 1.3900 . ?
C25B H25B 0.9300 . ?
C26B C27B 1.3900 . ?
C26B H26B 0.9300 . ?
C27B H27B 0.9300 . ?
C31B N11B 1.141(15) . ?
C31B C32B 1.427(14) . ?
C32B C33B 1.3900 . ?
C32B C37B 1.392(16) . ?
C33B C34B 1.3900 . ?
C33B H33B 0.9300 . ?
C34B C35B 1.3900 . ?
C34B H34B 0.9300 . ?
C35B C36B 1.3900 . ?
C35B H35B 0.9300 . ?
C36B C37B 1.391(14) . ?
C36B H36B 0.9300 . ?
C37B H37B 0.9300 . ?
N1B Ag1 2.295(15) . ?
N11B Ag1 2.189(10) . ?
N21B Ag1 2.270(16) . ?
O1 W1 1.703(7) . ?
O2 W1 1.912(7) . ?
O2 W2 1.924(7) . ?
O3 W3 1.898(7) . ?
O3 W1 1.967(7) . ?
O4 W4 1.912(7) . ?
O4 W1 1.936(7) . ?
O5 W4 1.869(7) 5_656 ?
O5 W2 1.925(7) . ?
O6 W2 1.693(7) . ?
O7 W2 1.915(7) . ?
O7 W3 1.933(7) . ?
O8 W3 2.290(5) . ?
O8 W4 2.295(5) . ?
O8 W2 2.320(5) . ?
O8 W1 2.325(5) . ?
O8 W5 2.329(5) . ?
O9 W3 1.714(7) . ?
O10 W3 1.906(7) . ?
O10 W4 2.003(7) . ?
O10 Ag1 2.575(6) . ?
O11 W4 1.704(8) . ?
O12 W3 1.932(7) . ?
O12 W5 1.946(6) . ?
O13 W4 1.917(7) . ?
O13 W5 1.917(7) . ?
O14 W1 1.898(7) 5_656 ?
O14 W5 1.900(7) . ?
O15 W2 1.921(7) . ?
O15 W5 1.928(6) . ?
O16 W5 1.696(8) . ?
W1 O14 1.898(7) 5_656 ?
W4 O5 1.869(7) 5_656 ?

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
N1A C1A C2A 114.7(10) . . ?
N1A C1A H1A1 108.6 . . ?
C2A C1A H1A1 108.6 . . ?
N1A C1A H1A2 108.6 . . ?
C2A C1A H1A2 108.6 . . ?
H1A1 C1A H1A2 107.6 . . ?
N1B C1B C2B 176.2(18) . . ?
C3A C2A C1A 110.6(11) . . ?
C3A C2A H2A1 109.5 . . ?
C1A C2A H2A1 109.5 . . ?
C3A C2A H2A2 109.5 . . ?
C1A C2A H2A2 109.5 . . ?
H2A1 C2A H2A2 108.1 . . ?
C4B C3B C2B 120.5(14) . . ?
C4B C3B H3B 119.8 . . ?
C2B C3B H3B 119.8 . . ?
C3B C4B C5B 119.0(18) . . ?
C3B C4B H4B 120.5 . . ?
C5B C4B H4B 120.5 . . ?
C6B C5B C4B 120.8(19) . . ?
C6B C5B H5B 119.6 . . ?
C4B C5B H5B 119.6 . . ?
C5B C6B C7B 120.4(18) . . ?
C5B C6B H6B 119.8 . . ?
C7B C6B H6B 119.8 . . ?
C6B C7B C2B 120.2(16) . . ?
C6B C7B H7B 119.9 . . ?
C2B C7B H7B 119.9 . . ?
C3B C2B C7B 119.1(14) . . ?
C3B C2B C1B 120.9(12) . . ?
C7B C2B C1B 119.9(13) . . ?
C2A C3A C4A 111.6(13) . . ?
C2A C3A H3A1 109.3 . . ?
C4A C3A H3A1 109.3 . . ?
C2A C3A H3A2 109.3 . . ?
C4A C3A H3A2 109.3 . . ?
H3A1 C3A H3A2 108.0 . . ?
C3A C4A H4A1 109.5 . . ?
C3A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C3A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
N1A C5A C6A 115.3(11) . . ?
N1A C5A H5A1 108.5 . . ?
C6A C5A H5A1 108.5 . . ?
N1A C5A H5A2 108.5 . . ?
C6A C5A H5A2 108.5 . . ?
H5A1 C5A H5A2 107.5 . . ?
C5A C6A C7A 108.1(17) . . ?
C5A C6A H6A1 110.1 . . ?
C7A C6A H6A1 110.1 . . ?
C5A C6A H6A2 110.1 . . ?
C7A C6A H6A2 110.1 . . ?
H6A1 C6A H6A2 108.4 . . ?
C15D C7A C6A 104(4) . . ?
C15C C7A C6A 117(4) . . ?
C15C C7A H7A1 108.1 . . ?
C6A C7A H7A1 108.1 . . ?
C15C C7A H7A2 108.1 . . ?
C6A C7A H7A2 108.1 . . ?
H7A1 C7A H7A2 107.3 . . ?
C9A C8A N1A 115.9(11) . . ?
C9A C8A H8A1 108.3 . . ?
N1A C8A H8A1 108.3 . . ?
C9A C8A H8A2 108.3 . . ?
N1A C8A H8A2 108.3 . . ?
H8A1 C8A H8A2 107.4 . . ?
C8A C9A C10A 111.5(15) . . ?
C8A C9A H9A1 109.3 . . ?
C10A C9A H9A1 109.3 . . ?
C8A C9A H9A2 109.3 . . ?
C10A C9A H9A2 109.3 . . ?
H9A1 C9A H9A2 108.0 . . ?
C9A C10A C11A 109(2) . . ?
C9A C10A H10A 109.9 . . ?
C11A C10A H10A 109.9 . . ?
C9A C10A H10B 109.9 . . ?
C11A C10A H10B 109.9 . . ?
H10A C10A H10B 108.3 . . ?
C10A C11A H11A 109.5 . . ?
C10A C11A H11B 109.5 . . ?
H11A C11A H11B 109.5 . . ?
C10A C11A H11C 109.5 . . ?
H11A C11A H11C 109.5 . . ?
H11B C11A H11C 109.5 . . ?
C13A C12A N1A 117.9(11) . . ?
C13A C12A H12A 107.8 . . ?
N1A C12A H12A 107.8 . . ?
C13A C12A H12B 107.8 . . ?
N1A C12A H12B 107.8 . . ?
H12A C12A H12B 107.2 . . ?
C12A C13A C14A 112.5(13) . . ?
C12A C13A H13A 109.1 . . ?
C14A C13A H13A 109.1 . . ?
C12A C13A H13B 109.1 . . ?
C14A C13A H13B 109.1 . . ?
H13A C13A H13B 107.8 . . ?
C16A C14A C13A 113(2) . . ?
C16A C14A H14A 109.1 . . ?
C13A C14A H14A 109.1 . . ?
C16A C14A H14B 109.1 . . ?
C13A C14A H14B 109.1 . . ?
H14A C14A H14B 107.8 . . ?
C7A C15C H15A 109.5 . . ?
C7A C15C H15B 109.5 . . ?
H15A C15C H15B 109.5 . . ?
C7A C15C H15C 109.5 . . ?
H15A C15C H15C 109.5 . . ?
H15B C15C H15C 109.5 . . ?
C7A C15D H15D 109.5 . . ?
C7A C15D H15E 109.5 . . ?
H15D C15D H15E 109.5 . . ?
C7A C15D H15F 109.5 . . ?
H15D C15D H15F 109.5 . . ?
H15E C15D H15F 109.5 . . ?
C14A C16A H16A 109.5 . . ?
C14A C16A H16C 109.5 . . ?
H16A C16A H16C 109.5 . . ?
C14A C16A H16D 109.5 . . ?
H16A C16A H16D 109.5 . . ?
H16C C16A H16D 109.5 . . ?
N21B C21B C22B 175.7(17) . . ?
C23B C22B C27B 120.0 . . ?
C23B C22B C21B 119.7(7) . . ?
C27B C22B C21B 120.3(7) . . ?
C22B C23B C24B 120.0 . . ?
C22B C23B H23B 120.0 . . ?
C24B C23B H23B 120.0 . . ?
C23B C24B C25B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C25B C24B H24B 120.0 . . ?
C26B C25B C24B 120.0 . . ?
C26B C25B H25B 120.0 . . ?
C24B C25B H25B 120.0 . . ?
C25B C26B C27B 120.0 . . ?
C25B C26B H26B 120.0 . . ?
C27B C26B H26B 120.0 . . ?
C26B C27B C22B 120.0 . . ?
C26B C27B H27B 120.0 . . ?
C22B C27B H27B 120.0 . . ?
N11B C31B C32B 178.6(13) . . ?
C33B C32B C37B 120.1(6) . . ?
C33B C32B C31B 120.0(6) . . ?
C37B C32B C31B 119.9(8) . . ?
C32B C33B C34B 120.0 . . ?
C32B C33B H33B 120.0 . . ?
C34B C33B H33B 120.0 . . ?
C35B C34B C33B 120.0 . . ?
C35B C34B H34B 120.0 . . ?
C33B C34B H34B 120.0 . . ?
C34B C35B C36B 120.0 . . ?
C34B C35B H35B 120.0 . . ?
C36B C35B H35B 120.0 . . ?
C37B C36B C35B 120.1(7) . . ?
C37B C36B H36B 119.9 . . ?
C35B C36B H36B 119.9 . . ?
C36B C37B C32B 119.7(11) . . ?
C36B C37B H37B 120.1 . . ?
C32B C37B H37B 120.1 . . ?
C5A N1A C8A 105.8(9) . . ?
C5A N1A C1A 111.9(10) . . ?
C8A N1A C1A 111.4(10) . . ?
C5A N1A C12A 111.2(11) . . ?
C8A N1A C12A 110.0(10) . . ?
C1A N1A C12A 106.8(9) . . ?
C1B N1B Ag1 144.0(14) . . ?
C31B N11B Ag1 156.5(10) . . ?
C21B N21B Ag1 153.4(16) . . ?
W1 O2 W2 117.2(3) . . ?
W3 O3 W1 116.8(3) . . ?
W4 O4 W1 116.8(3) . . ?
W4 O5 W2 175.8(4) 5_656 . ?
W2 O7 W3 117.0(3) . . ?
W3 O8 W4 91.69(18) . . ?
W3 O8 W2 90.71(18) . . ?
W4 O8 W2 177.6(3) . . ?
W3 O8 W1 91.04(18) . . ?
W4 O8 W1 90.38(18) . . ?
W2 O8 W1 89.63(18) . . ?
W3 O8 W5 91.27(18) . . ?
W4 O8 W5 90.22(18) . . ?
W2 O8 W5 89.67(18) . . ?
W1 O8 W5 177.6(2) . . ?
W3 O10 W4 114.6(3) . . ?
W3 O10 Ag1 128.7(3) . . ?
W4 O10 Ag1 109.1(3) . . ?
W3 O12 W5 116.8(3) . . ?
W4 O13 W5 117.4(3) . . ?
W1 O14 W5 175.0(4) 5_656 . ?
W2 O15 W5 116.8(3) . . ?
N11B Ag1 N21B 135.5(6) . . ?
N11B Ag1 N1B 129.2(6) . . ?
N21B Ag1 N1B 91.7(6) . . ?
N11B Ag1 O10 105.2(3) . . ?
N21B Ag1 O10 95.8(4) . . ?
N1B Ag1 O10 82.2(4) . . ?
O1 W1 O14 100.5(3) . 5_656 ?
O1 W1 O2 104.1(3) . . ?
O14 W1 O2 90.7(3) 5_656 . ?
O1 W1 O4 103.1(3) . . ?
O14 W1 O4 88.9(3) 5_656 . ?
O2 W1 O4 152.4(3) . . ?
O1 W1 O3 95.4(3) . . ?
O14 W1 O3 164.0(3) 5_656 . ?
O2 W1 O3 86.6(3) . . ?
O4 W1 O3 86.2(3) . . ?
O1 W1 O8 170.4(3) . . ?
O14 W1 O8 89.0(2) 5_656 . ?
O2 W1 O8 76.7(2) . . ?
O4 W1 O8 75.8(2) . . ?
O3 W1 O8 75.0(2) . . ?
O6 W2 O7 97.9(3) . . ?
O6 W2 O15 103.4(3) . . ?
O7 W2 O15 88.0(3) . . ?
O6 W2 O2 103.4(3) . . ?
O7 W2 O2 88.7(3) . . ?
O15 W2 O2 153.3(3) . . ?
O6 W2 O5 98.3(3) . . ?
O7 W2 O5 163.7(3) . . ?
O15 W2 O5 87.4(3) . . ?
O2 W2 O5 88.4(3) . . ?
O6 W2 O8 173.9(3) . . ?
O7 W2 O8 75.9(2) . . ?
O15 W2 O8 76.9(2) . . ?
O2 W2 O8 76.5(2) . . ?
O5 W2 O8 87.8(2) . . ?
O9 W3 O3 103.6(3) . . ?
O9 W3 O10 103.9(3) . . ?
O3 W3 O10 89.6(3) . . ?
O9 W3 O12 102.6(3) . . ?
O3 W3 O12 153.6(3) . . ?
O10 W3 O12 87.0(3) . . ?
O9 W3 O7 101.9(3) . . ?
O3 W3 O7 87.5(3) . . ?
O10 W3 O7 154.0(3) . . ?
O12 W3 O7 84.2(3) . . ?
O9 W3 O8 178.1(3) . . ?
O3 W3 O8 77.1(2) . . ?
O10 W3 O8 77.8(2) . . ?
O12 W3 O8 76.6(2) . . ?
O7 W3 O8 76.4(2) . . ?
O11 W4 O5 99.8(3) . 5_656 ?
O11 W4 O4 102.3(3) . . ?
O5 W4 O4 90.7(3) 5_656 . ?
O11 W4 O13 103.6(3) . . ?
O5 W4 O13 90.4(3) 5_656 . ?
O4 W4 O13 153.5(3) . . ?
O11 W4 O10 93.9(3) . . ?
O5 W4 O10 166.3(3) 5_656 . ?
O4 W4 O10 87.2(3) . . ?
O13 W4 O10 85.5(3) . . ?
O11 W4 O8 169.7(3) . . ?
O5 W4 O8 90.4(2) 5_656 . ?
O4 W4 O8 76.9(2) . . ?
O13 W4 O8 76.6(2) . . ?
O10 W4 O8 75.9(2) . . ?
O16 W5 O14 99.7(3) . . ?
O16 W5 O13 104.5(3) . . ?
O14 W5 O13 88.5(3) . . ?
O16 W5 O15 103.2(3) . . ?
O14 W5 O15 88.1(3) . . ?
O13 W5 O15 152.2(3) . . ?
O16 W5 O12 96.6(3) . . ?
O14 W5 O12 163.7(3) . . ?
O13 W5 O12 88.2(3) . . ?
O15 W5 O12 87.3(3) . . ?
O16 W5 O8 171.9(3) . . ?
O14 W5 O8 88.3(2) . . ?
O13 W5 O8 75.7(2) . . ?
O15 W5 O8 76.6(2) . . ?
O12 W5 O8 75.4(2) . . ?



_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 1.000
_refine_diff_density_max         2.546
_refine_diff_density_min         -0.958
_refine_diff_density_rms         0.4831
_database_code_depnum_ccdc_archive 'CCDC 943409'
#######################################################################
#
#                 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_AGPhCNW

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
Tetrakis(dibenzonitrilesiver(I))di-mu5-oxo-icosa-mu-oxo-decaoxodecatungstate
;
_chemical_name_common            
;
Tetrakis(dibenzonitrilesiver(I))decatungstate
;
_chemical_melting_point          'not measured'
_chemical_formula_moiety         '4(C14 H10 N2 Ag), W10 O32'
_chemical_formula_sum            'C56 H40 Ag4 N8 O32 W10'
_chemical_formula_weight         3606.94

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'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0972(4)
_cell_length_b                   13.3970(5)
_cell_length_c                   13.9852(7)
_cell_angle_alpha                104.717(4)
_cell_angle_beta                 113.242(3)
_cell_angle_gamma                94.594(3)
_cell_volume                     1809.31(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    'not measured'
_cell_measurement_theta_min      'not measured'
_cell_measurement_theta_max      'not measured'

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    3.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1616
_exptl_absorpt_coefficient_mu    16.963
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.0469
_exptl_absorpt_correction_T_max  0.1911
_exptl_absorpt_process_details   
;
The absorption correction (X-RED; Stoe & Cie, 2001) 
was performed after optimizing the crystal shape 
using X-SHAPE (Stoe & Cie, 1999).
;
_exptl_special_details           
; 
A suitable single crystal was carefully selected under a visible light
microscope and mounted in a glass capillary. The scattering 
intensities were collected on an imaging plate diffractometer 
(IPDS II, STOE & Cie) equipped with a fine focus sealed tube 
X-ray source (Mo Kα, λ = 0.71073 Å) operating at 
50 kV and 40 mA. Intensity data for [Ag(PhCN)₃]₄(W₁₀O₃₂)    
were collected at 293(2) K by ω-scans in 168 frames 
(0 < ω < 180°; φ = O°, 0 < ω < 180°; φ = 90°, 
exposure time of 5 min).
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'IPDS II (Stoe & Cie)'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 'not measured'
_diffrn_standards_number         'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_decay_%        'not measured'
_diffrn_reflns_number            25537
_diffrn_reflns_av_R_equivalents  0.0798
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.92
_diffrn_reflns_theta_max         26.80
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_reflns_number_total             7649
_reflns_number_gt                6924
_reflns_threshold_expression     >4sigma(I)

_computing_data_collection       'X-Area, (Stoe, 2001)'
_computing_cell_refinement       'X-Area, (Stoe, 2001)'
_computing_data_reduction        'X-Area, (Stoe, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Diamond v3.2 (Crystal Impact 2011)'
_computing_publication_material  'Diamond v3.2 (Crystal Impact 2011)'

_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 > 4sigma(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. 
;

_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)+(0.0211P)²+7.1758P] 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     SHELXL
_refine_ls_extinction_coef       0.00109(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7649
_refine_ls_number_parameters     497
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0301
_refine_ls_wR_factor_ref         0.0767
_refine_ls_wR_factor_gt          0.0742
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_restrained_S_all      1.114
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W4 W 0.10511(3) 0.06928(2) -0.14609(2) 0.02247(8) Uani 1 1 d . . . . .
W2 W -0.05250(3) 0.19891(2) 0.11157(2) 0.02287(8) Uani 1 1 d . . . . .
W3 W 0.24254(3) 0.17585(2) 0.11993(2) 0.02377(8) Uani 1 1 d . . . . .
W1 W 0.05577(3) 0.30050(2) -0.03840(2) 0.02547(8) Uani 1 1 d . . . . .
W5 W -0.19028(3) 0.09286(2) -0.15489(2) 0.02361(8) Uani 1 1 d . . . . .
Ag2 Ag 0.04802(8) 0.50560(6) 0.20158(6) 0.04990(17) Uani 1 1 d . . . . .
O12 O -0.3421(5) 0.0774(5) -0.2598(4) 0.0359(12) Uani 1 1 d . . . . .
O4 O -0.0111(5) 0.3249(4) 0.0707(4) 0.0256(9) Uani 1 1 d . . . . .
O13 O -0.0843(5) 0.0468(4) -0.2296(4) 0.0271(10) Uani 1 1 d . . . . .
O1 O 0.0782(6) 0.4213(4) -0.0566(5) 0.0368(12) Uani 1 1 d . . . . .
O6 O 0.0261(4) 0.1393(3) -0.0158(3) 0.0202(9) Uani 1 1 d . . . . .
O11 O -0.2125(5) 0.1544(4) -0.0240(4) 0.0255(10) Uani 1 1 d . . . . .
O8 O 0.4013(5) 0.2214(4) 0.2192(4) 0.0373(12) Uani 1 1 d . . . . .
O7 O 0.2639(5) 0.1124(4) -0.0107(4) 0.0261(10) Uani 1 1 d . . . . .
O2 O 0.1139(5) 0.2145(4) -0.1385(4) 0.0277(10) Uani 1 1 d . . . . .
O9 O 0.1375(5) 0.2208(4) 0.1969(4) 0.0269(10) Uani 1 1 d . . . . .
O16 O 0.0741(5) -0.0651(4) -0.1238(4) 0.0250(10) Uani 1 1 d . . . . .
O3 O 0.2245(5) 0.3005(4) 0.0750(4) 0.0268(10) Uani 1 1 d . . . . .
N11 N -0.0798(9) 0.5170(7) 0.2869(8) 0.062(2) Uani 1 1 d . . . . .
N1 N 0.2450(9) 0.5563(7) 0.2096(7) 0.0534(19) Uani 1 1 d . . . . .
C12 C -0.2041(10) 0.5024(7) 0.4041(7) 0.0452(19) Uani 1 1 d . . . . .
C11 C -0.1367(11) 0.5107(8) 0.3361(9) 0.056(2) Uani 1 1 d . . . . .
C2 C 0.3892(8) 0.5996(6) 0.1142(7) 0.0404(18) Uani 1 1 d . . . . .
C1 C 0.3110(9) 0.5758(7) 0.1681(7) 0.046(2) Uani 1 1 d . . . . .
C3 C 0.3274(9) 0.6222(7) 0.0171(8) 0.0437(19) Uani 1 1 d . . . . .
H3 H 0.2360 0.6214 -0.0121 0.052 Uiso 1 1 calc R U . . .
C13 C -0.1590(11) 0.5729(9) 0.5086(8) 0.059(2) Uani 1 1 d . . . . .
H13 H -0.0840 0.6263 0.5357 0.070 Uiso 1 1 calc R U . . .
C4 C 0.4009(11) 0.6457(7) -0.0360(9) 0.056(2) Uani 1 1 d . . . . .
H4 H 0.3591 0.6613 -0.1010 0.067 Uiso 1 1 calc R U . . .
C15 C -0.3304(11) 0.4839(8) 0.5337(8) 0.057(2) Uani 1 1 d . . . . .
H15 H -0.3716 0.4758 0.5785 0.068 Uiso 1 1 calc R U . . .
C5 C 0.5366(11) 0.6464(8) 0.0061(11) 0.062(3) Uani 1 1 d . . . . .
H5 H 0.5852 0.6607 -0.0316 0.075 Uiso 1 1 calc R U . . .
C6 C 0.6000(10) 0.6261(9) 0.1035(12) 0.072(3) Uani 1 1 d . . . . .
H6 H 0.6918 0.6284 0.1325 0.087 Uiso 1 1 calc R U . . .
C14 C -0.2247(11) 0.5641(9) 0.5722(8) 0.061(3) Uani 1 1 d . . . . .
H14 H -0.1968 0.6130 0.6412 0.073 Uiso 1 1 calc R U . . .
C17 C -0.3142(12) 0.4224(8) 0.3656(8) 0.060(3) Uani 1 1 d . . . . .
H17 H -0.3449 0.3741 0.2960 0.072 Uiso 1 1 calc R U . . .
C7 C 0.5276(9) 0.6022(7) 0.1582(9) 0.051(2) Uani 1 1 d . . . . .
H7 H 0.5702 0.5879 0.2239 0.061 Uiso 1 1 calc R U . . .
O15 O -0.2089(5) -0.0392(4) -0.1321(4) 0.0269(10) Uani 1 1 d . . . . .
O10 O -0.1037(5) 0.2650(4) 0.2057(4) 0.0360(12) Uani 1 1 d . . . . .
O14 O 0.1591(5) 0.0302(4) -0.2447(4) 0.0316(11) Uani 1 1 d . . . . .
O5 O -0.1228(5) 0.2360(4) -0.1447(4) 0.0280(10) Uani 1 1 d . . . . .
C16 C -0.3783(12) 0.4143(10) 0.4305(9) 0.070(3) Uani 1 1 d . . . . .
H16 H -0.4538 0.3617 0.4043 0.084 Uiso 1 1 calc R U . . .
C24 C -0.8404(12) 0.1122(9) -0.5355(8) 0.060(3) Uani 1 1 d . . . . .
H24 H -0.9304 0.0837 -0.5818 0.072 Uiso 1 1 calc R U . . .
C22 C -0.6526(9) 0.1455(6) -0.3633(6) 0.0376(17) Uani 1 1 d . . . . .
C27 C -0.5725(10) 0.1951(8) -0.3984(8) 0.054(2) Uani 1 1 d . . . . .
H27 H -0.4820 0.2222 -0.3529 0.065 Uiso 1 1 calc R U . . .
C25 C -0.7630(12) 0.1604(8) -0.5707(7) 0.059(3) Uani 1 1 d . . . . .
H25 H -0.8000 0.1645 -0.6416 0.071 Uiso 1 1 calc R U . . .
C23 C -0.7870(9) 0.1048(8) -0.4313(7) 0.049(2) Uani 1 1 d . . . . .
H23 H -0.8411 0.0725 -0.4066 0.059 Uiso 1 1 calc R U . . .
C21 C -0.5946(8) 0.1342(7) -0.2561(6) 0.0396(18) Uani 1 1 d . . . . .
N21 N -0.5489(7) 0.1201(6) -0.1739(5) 0.0396(15) Uani 1 1 d . . . . .
Ag1 Ag -0.45778(10) 0.11569(7) -0.01358(6) 0.0691(3) Uani 1 1 d . . . . .
C26 C -0.6290(12) 0.2040(9) -0.5030(9) 0.066(3) Uani 1 1 d . . . . .
H26 H -0.5771 0.2390 -0.5275 0.079 Uiso 1 1 calc R U . . .
N31 N -0.3869(7) 0.1169(6) 0.1489(6) 0.0429(16) Uani 1 1 d . . . . .
C32 C -0.2878(8) 0.1497(6) 0.3571(6) 0.0357(16) Uani 1 1 d . . . . .
C31 C -0.3453(8) 0.1305(6) 0.2407(6) 0.0350(16) Uani 1 1 d . . . . .
C33 C -0.3673(10) 0.1178(8) 0.4043(8) 0.047(2) Uani 1 1 d . . . . .
H33 H -0.4571 0.0858 0.3619 0.057 Uiso 1 1 calc R U . . .
C37 C -0.1567(10) 0.1985(9) 0.4182(7) 0.055(2) Uani 1 1 d . . . . .
H37 H -0.1052 0.2185 0.3849 0.066 Uiso 1 1 calc R U . . .
C36 C -0.1009(12) 0.2179(9) 0.5307(8) 0.068(3) Uani 1 1 d . . . . .
H36 H -0.0127 0.2540 0.5736 0.082 Uiso 1 1 calc R U . . .
C34 C -0.3083(13) 0.1350(10) 0.5163(9) 0.069(3) Uani 1 1 d . . . . .
H34 H -0.3587 0.1135 0.5498 0.082 Uiso 1 1 calc R U . . .
C35 C -0.1753(13) 0.1841(9) 0.5785(7) 0.067(3) Uani 1 1 d . . . . .
H35 H -0.1362 0.1941 0.6535 0.080 Uiso 1 1 calc R 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
W4 O14 1.694(5) . ?
W4 O13 1.912(5) . ?
W4 O2 1.914(5) . ?
W4 O7 1.917(5) . ?
W4 O16 1.931(4) . ?
W4 O6 2.344(4) . ?
W2 O10 1.709(5) . ?
W2 O16 1.849(4) 2 ?
W2 O9 1.922(5) . ?
W2 O11 1.924(5) . ?
W2 O4 1.989(4) . ?
W2 O6 2.277(4) . ?
W3 O8 1.694(5) . ?
W3 O15 1.902(5) 2 ?
W3 O9 1.911(5) . ?
W3 O7 1.924(5) . ?
W3 O3 1.927(5) . ?
W3 O6 2.314(4) . ?
W1 O1 1.715(5) . ?
W1 O5 1.905(5) . ?
W1 O4 1.914(5) . ?
W1 O3 1.917(5) . ?
W1 O2 1.928(5) . ?
W1 O6 2.277(4) . ?
W5 O12 1.695(5) . ?
W5 O15 1.886(5) . ?
W5 O13 1.901(5) . ?
W5 O11 1.927(5) . ?
W5 O5 1.951(5) . ?
W5 O6 2.323(4) . ?
Ag2 N11 2.176(9) . ?
Ag2 N1 2.187(8) . ?
Ag2 O1 2.453(5) 2_565 ?
Ag2 O4 2.488(5) . ?
O1 Ag2 2.453(5) 2_565 ?
O11 Ag1 2.797(5) . ?
O16 W2 1.849(4) 2 ?
N11 C11 1.116(12) . ?
N1 C1 1.151(12) . ?
C12 C17 1.383(14) . ?
C12 C13 1.388(13) . ?
C12 C11 1.441(13) . ?
C2 C3 1.384(12) . ?
C2 C7 1.405(12) . ?
C2 C1 1.419(12) . ?
C3 C4 1.368(12) . ?
C3 H3 0.9300 . ?
C13 C14 1.375(14) . ?
C13 H13 0.9300 . ?
C4 C5 1.382(14) . ?
C4 H4 0.9300 . ?
C15 C14 1.351(15) . ?
C15 C16 1.366(14) . ?
C15 H15 0.9300 . ?
C5 C6 1.374(17) . ?
C5 H5 0.9300 . ?
C6 C7 1.380(15) . ?
C6 H6 0.9300 . ?
C14 H14 0.9300 . ?
C17 C16 1.373(14) . ?
C17 H17 0.9300 . ?
C7 H7 0.9300 . ?
O15 W3 1.902(5) 2 ?
C16 H16 0.9300 . ?
C24 C25 1.343(15) . ?
C24 C23 1.372(12) . ?
C24 H24 0.9300 . ?
C22 C27 1.375(12) . ?
C22 C23 1.383(12) . ?
C22 C21 1.433(10) . ?
C27 C26 1.386(13) . ?
C27 H27 0.9300 . ?
C25 C26 1.385(16) . ?
C25 H25 0.9300 . ?
C23 H23 0.9300 . ?
C21 N21 1.132(10) . ?
N21 Ag1 2.083(6) . ?
Ag1 N31 2.085(6) . ?
Ag1 Ag1 3.3233(18) 2_455 ?
C26 H26 0.9300 . ?
N31 C31 1.138(10) . ?
C32 C37 1.363(13) . ?
C32 C33 1.392(11) . ?
C32 C31 1.438(10) . ?
C33 C34 1.385(14) . ?
C33 H33 0.9300 . ?
C37 C36 1.387(13) . ?
C37 H37 0.9300 . ?
C36 C35 1.366(17) . ?
C36 H36 0.9300 . ?
C34 C35 1.382(17) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?

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
O14 W4 O13 102.4(2) . . ?
O14 W4 O2 98.4(2) . . ?
O13 W4 O2 87.9(2) . . ?
O14 W4 O7 105.1(2) . . ?
O13 W4 O7 152.55(19) . . ?
O2 W4 O7 88.2(2) . . ?
O14 W4 O16 98.3(2) . . ?
O13 W4 O16 87.2(2) . . ?
O2 W4 O16 163.28(19) . . ?
O7 W4 O16 88.8(2) . . ?
O14 W4 O6 173.8(2) . . ?
O13 W4 O6 75.87(17) . . ?
O2 W4 O6 75.76(17) . . ?
O7 W4 O6 76.83(17) . . ?
O16 W4 O6 87.53(17) . . ?
O10 W2 O16 100.4(2) . 2 ?
O10 W2 O9 102.3(2) . . ?
O16 W2 O9 90.3(2) 2 . ?
O10 W2 O11 104.0(2) . . ?
O16 W2 O11 89.9(2) 2 . ?
O9 W2 O11 153.29(19) . . ?
O10 W2 O4 94.7(2) . . ?
O16 W2 O4 165.0(2) 2 . ?
O9 W2 O4 85.8(2) . . ?
O11 W2 O4 87.11(19) . . ?
O10 W2 O6 169.9(2) . . ?
O16 W2 O6 89.68(17) 2 . ?
O9 W2 O6 76.25(17) . . ?
O11 W2 O6 77.04(17) . . ?
O4 W2 O6 75.28(17) . . ?
O8 W3 O15 99.9(2) . 2 ?
O8 W3 O9 102.7(2) . . ?
O15 W3 O9 88.9(2) 2 . ?
O8 W3 O7 104.3(2) . . ?
O15 W3 O7 88.90(19) 2 . ?
O9 W3 O7 152.9(2) . . ?
O8 W3 O3 96.6(2) . . ?
O15 W3 O3 163.4(2) 2 . ?
O9 W3 O3 87.4(2) . . ?
O7 W3 O3 87.1(2) . . ?
O8 W3 O6 171.5(2) . . ?
O15 W3 O6 88.40(18) 2 . ?
O9 W3 O6 75.54(17) . . ?
O7 W3 O6 77.45(17) . . ?
O3 W3 O6 75.03(18) . . ?
O1 W1 O5 103.0(2) . . ?
O1 W1 O4 103.9(2) . . ?
O5 W1 O4 87.9(2) . . ?
O1 W1 O3 104.1(2) . . ?
O5 W1 O3 152.9(2) . . ?
O4 W1 O3 87.1(2) . . ?
O1 W1 O2 102.3(2) . . ?
O5 W1 O2 86.9(2) . . ?
O4 W1 O2 153.83(19) . . ?
O3 W1 O2 86.0(2) . . ?
O1 W1 O6 179.4(2) . . ?
O5 W1 O6 76.79(17) . . ?
O4 W1 O6 76.67(17) . . ?
O3 W1 O6 76.09(17) . . ?
O2 W1 O6 77.16(17) . . ?
O12 W5 O15 99.9(2) . . ?
O12 W5 O13 102.2(2) . . ?
O15 W5 O13 89.7(2) . . ?
O12 W5 O11 105.2(2) . . ?
O15 W5 O11 88.56(19) . . ?
O13 W5 O11 152.4(2) . . ?
O12 W5 O5 96.0(2) . . ?
O15 W5 O5 164.2(2) . . ?
O13 W5 O5 87.2(2) . . ?
O11 W5 O5 87.0(2) . . ?
O12 W5 O6 170.8(2) . . ?
O15 W5 O6 89.30(18) . . ?
O13 W5 O6 76.61(17) . . ?
O11 W5 O6 75.85(17) . . ?
O5 W5 O6 74.86(17) . . ?
N11 Ag2 N1 146.9(3) . . ?
N11 Ag2 O1 99.1(3) . 2_565 ?
N1 Ag2 O1 96.3(3) . 2_565 ?
N11 Ag2 O4 109.4(3) . . ?
N1 Ag2 O4 98.8(2) . . ?
O1 Ag2 O4 92.74(17) 2_565 . ?
W1 O4 W2 115.3(2) . . ?
W1 O4 Ag2 118.5(2) . . ?
W2 O4 Ag2 121.0(2) . . ?
W5 O13 W4 118.4(2) . . ?
W1 O1 Ag2 133.0(3) . 2_565 ?
W2 O6 W1 92.77(15) . . ?
W2 O6 W3 90.92(14) . . ?
W1 O6 W3 91.41(15) . . ?
W2 O6 W5 90.69(14) . . ?
W1 O6 W5 91.28(14) . . ?
W3 O6 W5 176.8(2) . . ?
W2 O6 W4 177.0(2) . . ?
W1 O6 W4 90.18(14) . . ?
W3 O6 W4 89.11(14) . . ?
W5 O6 W4 89.14(14) . . ?
W2 O11 W5 116.4(2) . . ?
W2 O11 Ag1 117.69(19) . . ?
W5 O11 Ag1 122.2(2) . . ?
W4 O7 W3 116.6(2) . . ?
W4 O2 W1 116.9(2) . . ?
W3 O9 W2 117.2(2) . . ?
W2 O16 W4 174.2(3) 2 . ?
W1 O3 W3 117.5(2) . . ?
C11 N11 Ag2 169.1(9) . . ?
C1 N1 Ag2 150.4(8) . . ?
C17 C12 C13 119.2(9) . . ?
C17 C12 C11 119.8(9) . . ?
C13 C12 C11 120.9(9) . . ?
N11 C11 C12 177.2(12) . . ?
C3 C2 C7 119.6(8) . . ?
C3 C2 C1 119.0(8) . . ?
C7 C2 C1 121.4(8) . . ?
N1 C1 C2 178.4(10) . . ?
C4 C3 C2 119.9(9) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C14 C13 C12 120.2(10) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C3 C4 C5 120.6(10) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C14 C15 C16 121.6(10) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C6 C5 C4 120.2(10) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 120.0(9) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C15 C14 C13 119.4(9) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C16 C17 C12 119.8(9) . . ?
C16 C17 H17 120.1 . . ?
C12 C17 H17 120.1 . . ?
C6 C7 C2 119.6(10) . . ?
C6 C7 H7 120.2 . . ?
C2 C7 H7 120.2 . . ?
W5 O15 W3 175.0(3) . 2 ?
W1 O5 W5 117.1(2) . . ?
C15 C16 C17 119.6(11) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C25 C24 C23 120.2(10) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C27 C22 C23 120.5(8) . . ?
C27 C22 C21 119.2(8) . . ?
C23 C22 C21 120.3(8) . . ?
C22 C27 C26 118.8(10) . . ?
C22 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
C24 C25 C26 120.9(8) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C24 C23 C22 119.8(9) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
N21 C21 C22 176.5(10) . . ?
C21 N21 Ag1 172.4(7) . . ?
N21 Ag1 N31 173.0(3) . . ?
N21 Ag1 O11 87.2(2) . . ?
N31 Ag1 O11 99.0(2) . . ?
N21 Ag1 Ag1 113.7(2) . 2_455 ?
N31 Ag1 Ag1 66.3(2) . 2_455 ?
O11 Ag1 Ag1 116.35(10) . 2_455 ?
C25 C26 C27 119.7(9) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C31 N31 Ag1 171.7(7) . . ?
C37 C32 C33 121.9(8) . . ?
C37 C32 C31 118.9(7) . . ?
C33 C32 C31 119.2(8) . . ?
N31 C31 C32 177.8(9) . . ?
C34 C33 C32 117.9(10) . . ?
C34 C33 H33 121.0 . . ?
C32 C33 H33 121.0 . . ?
C32 C37 C36 119.2(10) . . ?
C32 C37 H37 120.4 . . ?
C36 C37 H37 120.4 . . ?
C35 C36 C37 120.1(11) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C35 C34 C33 120.4(10) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C36 C35 C34 120.4(9) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?

_refine_diff_density_max         1.534
_refine_diff_density_min         -2.125
_refine_diff_density_rms         0.205
_database_code_depnum_ccdc_archive 'CCDC 943410'
#######################################################################
#
#                 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_AGTHWB

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
Tetrakis(dibenzonitriletheobrominesilver(I))di-mu5-oxo-icosa-
mu-oxo-decaoxodecatungstate benzonitrile 
;
_chemical_name_common            
;
Tetrakis(dibenzonitriletheobrominesilver(I))decatungstate
benzonitrile
;
_chemical_melting_point          'not measured'
_chemical_formula_moiety         '4(C21 H18 N6 O2 Ag), W10 O32, C7 H5 N'
_chemical_formula_sum            'C91 H77 Ag4 N25 O40 W10'
_chemical_formula_weight         4430.76

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'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7971(5)
_cell_length_b                   14.5000(6)
_cell_length_c                   20.1073(8)
_cell_angle_alpha                97.929(3)
_cell_angle_beta                 93.069(3)
_cell_angle_gamma                110.612(3)
_cell_volume                     2900.5(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    'not measured'
_cell_measurement_theta_min      1.69
_cell_measurement_theta_max      26.94

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2046
_exptl_absorpt_coefficient_mu    10.616
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4294
_exptl_absorpt_correction_T_max  0.5720
_exptl_absorpt_process_details   
;
The absorption correction (X-RED; Stoe & Cie, 2001) 
was performed after optimizing the crystal shape 
using X-SHAPE (Stoe & Cie, 1999).
;
_exptl_special_details           
; 
A suitable single crystal was carefully selected under a visible light
microscope and mounted in a glass capillary. The scattering 
intensities were collected on an imaging plate diffractometer 
(IPDS II, STOE & Cie) equipped with a fine focus sealed tube 
X-ray source (Mo Kα, λ = 0.71073 Å) operating at 
50 kV and 40 mA. Intensity data for [Ag(PhCN)₂(thb)]₄(W₁₀O₃₂)^.^PhCN    
were collected at 293(2) K by ω-scans in 180 frames 
(0 < ω < 180°; φ = O°, 0 < ω < 180°; φ = 90°, 
exposure time of 12 min).
;

_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'IPDS 2T (Stoe & Cie)'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 'not measured'
_diffrn_standards_number         'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_decay_%        'not measured'
_diffrn_reflns_number            44202
_diffrn_reflns_av_R_equivalents  0.0996
_diffrn_reflns_av_unetI/netI     0.1004
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         26.83
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_reflns_number_total             12299
_reflns_number_gt                6727
_reflns_threshold_expression     >4sigma(I)

_computing_data_collection       'X-Area, (Stoe, 2001)'
_computing_cell_refinement       'X-Area, (Stoe, 2001)'
_computing_data_reduction        'X-Area, (Stoe, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Diamond v3.2 (Crystal Impact 2011)'
_computing_publication_material  'Diamond v3.2 (Crystal Impact 2011)'

_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 > 4sigma(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. The empty solvent accessible 
 void in the same compound was most likely occupied by a PhCN-molecule 
 (causing the high residual electron density), which was mostly removed by 
 surrounding silicon grease, while fixing the crystal onto a capillary. 
;

_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)+(0.0540P)²+0.0000P] 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     SHELXL
_refine_ls_extinction_coef       0.00030(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         12299
_refine_ls_number_parameters     776
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0950
_refine_ls_R_factor_gt           0.0440
_refine_ls_wR_factor_ref         0.0990
_refine_ls_wR_factor_gt          0.0845
_refine_ls_goodness_of_fit_ref   0.846
_refine_ls_restrained_S_all      0.845
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1B C 0.6139(17) 0.1091(11) 0.4207(8) 0.061(4) Uani 1 1 d . . . . .
C2 C 0.6165(12) 0.4383(9) -0.0106(6) 0.040(3) Uani 1 1 d . . . . .
C2B C 0.6813(15) 0.0552(9) 0.4534(7) 0.051(3) Uani 1 1 d . U . . .
C3 C 0.5580(14) 0.2880(9) 0.0391(7) 0.056(4) Uani 1 1 d . . . . .
H3A H 0.5750 0.2686 0.0814 0.084 Uiso 1 1 calc R U . . .
H3C H 0.5901 0.2533 0.0040 0.084 Uiso 1 1 calc R U . . .
H3D H 0.4640 0.2712 0.0290 0.084 Uiso 1 1 calc R U . . .
C3B C 0.8110(15) 0.1024(10) 0.4787(8) 0.054(3) Uani 1 1 d . U . . .
H3B H 0.8578 0.1683 0.4743 0.065 Uiso 1 1 calc R U . . .
C4 C 0.7015(12) 0.4546(9) 0.1022(6) 0.040(3) Uani 1 1 d . . . . .
C4B C 0.8715(18) 0.0477(12) 0.5116(8) 0.071(4) Uani 1 1 d . U . . .
H4B H 0.9594 0.0783 0.5309 0.086 Uiso 1 1 calc R U . . .
C5 C 0.7677(12) 0.5557(10) 0.1058(6) 0.039(3) Uani 1 1 d . . . . .
C5B C 0.8040(17) -0.0491(12) 0.5156(8) 0.067(4) Uani 1 1 d . U . . .
H5B H 0.8476 -0.0841 0.5367 0.080 Uiso 1 1 calc R U . . .
C6 C 0.7588(11) 0.6072(10) 0.0499(6) 0.042(3) Uani 1 1 d . . . . .
C6B C 0.6725(17) -0.0977(10) 0.4895(8) 0.064(4) Uani 1 1 d . U . . .
H6B H 0.6278 -0.1645 0.4923 0.076 Uiso 1 1 calc R U . . .
C7 C 0.9169(14) 0.6933(10) 0.2008(7) 0.053(4) Uani 1 1 d . . . . .
H7A H 0.9201 0.7368 0.1685 0.080 Uiso 1 1 calc R U . . .
H7C H 1.0053 0.6964 0.2138 0.080 Uiso 1 1 calc R U . . .
H7D H 0.8800 0.7141 0.2400 0.080 Uiso 1 1 calc R U . . .
C7B C 0.6099(14) -0.0451(10) 0.4595(8) 0.055(3) Uani 1 1 d . U . . .
H7B H 0.5203 -0.0751 0.4430 0.066 Uiso 1 1 calc R U . . .
C8 C 0.8081(13) 0.5118(10) 0.2023(7) 0.053(3) Uani 1 1 d . . . . .
H8 H 0.8414 0.5148 0.2465 0.063 Uiso 1 1 calc R U . . .
C11B C 0.4744(16) 0.0547(12) 0.2068(9) 0.067(4) Uani 1 1 d . U . . .
C12 C 0.4112(12) 0.4290(9) 0.1736(6) 0.039(3) Uani 1 1 d . . . . .
C12B C 0.4150(14) -0.0485(10) 0.2194(9) 0.057(4) Uani 1 1 d . U . . .
C13 C 0.3219(15) 0.2778(10) 0.2247(7) 0.062(4) Uani 1 1 d . . . . .
H13A H 0.3335 0.2565 0.2670 0.093 Uiso 1 1 calc R U . . .
H13C H 0.3438 0.2366 0.1893 0.093 Uiso 1 1 calc R U . . .
H13D H 0.2309 0.2718 0.2156 0.093 Uiso 1 1 calc R U . . .
C13B C 0.4284(16) -0.1227(12) 0.1713(9) 0.069(4) Uani 1 1 d . . . . .
H13B H 0.4691 -0.1062 0.1328 0.083 Uiso 1 1 calc R U . . .
C14 C 0.4767(11) 0.4411(10) 0.2889(6) 0.038(3) Uani 1 1 d . . . . .
C14B C 0.381(2) -0.2204(12) 0.1814(10) 0.081(5) Uani 1 1 d . . . . .
H14B H 0.3878 -0.2706 0.1494 0.098 Uiso 1 1 calc R U . . .
C15 C 0.5397(13) 0.5422(10) 0.2958(7) 0.047(3) Uani 1 1 d . . . . .
C15B C 0.3225(17) -0.2435(12) 0.2394(11) 0.083(6) Uani 1 1 d . . . . .
H15B H 0.2915 -0.3094 0.2466 0.099 Uiso 1 1 calc R U . . .
C16 C 0.5509(12) 0.5939(9) 0.2397(7) 0.040(3) Uani 1 1 d . . . . .
C16B C 0.3101(19) -0.1705(14) 0.2862(11) 0.091(6) Uani 1 1 d . . . . .
H16B H 0.2709 -0.1871 0.3251 0.109 Uiso 1 1 calc R U . . .
C17 C 0.6659(12) 0.6767(9) 0.3963(7) 0.045(3) Uani 1 1 d . . . . .
H17A H 0.6833 0.7197 0.3629 0.067 Uiso 1 1 calc R U . . .
H17C H 0.7487 0.6803 0.4186 0.067 Uiso 1 1 calc R U . . .
H17D H 0.6151 0.6977 0.4288 0.067 Uiso 1 1 calc R U . . .
C17B C 0.3551(15) -0.0719(12) 0.2763(10) 0.076(5) Uani 1 1 d . . . . .
H17B H 0.3447 -0.0225 0.3078 0.091 Uiso 1 1 calc R U . . .
C18 C 0.5493(11) 0.4928(10) 0.3923(7) 0.040(3) Uani 1 1 d . . . . .
H18 H 0.5667 0.4946 0.4384 0.048 Uiso 1 1 calc R U . . .
C21B C 0.1494(15) 0.0887(10) 0.3193(7) 0.051(3) Uani 1 1 d . . . . .
C22B C 0.0111(12) 0.0457(9) 0.3110(7) 0.044(3) Uani 1 1 d . . . . .
C23B C -0.0518(17) -0.0555(10) 0.3165(8) 0.065(4) Uani 1 1 d . . . . .
H23B H -0.0006 -0.0931 0.3254 0.078 Uiso 1 1 calc R U . . .
C24B C -0.1912(18) -0.1002(14) 0.3087(8) 0.075(5) Uani 1 1 d . . . . .
H24B H -0.2342 -0.1661 0.3142 0.090 Uiso 1 1 calc R U . . .
C25B C -0.2622(17) -0.0410(15) 0.2923(9) 0.074(5) Uani 1 1 d . . . . .
H25B H -0.3542 -0.0708 0.2831 0.089 Uiso 1 1 calc R U . . .
C26B C -0.2050(16) 0.0568(13) 0.2889(8) 0.066(4) Uani 1 1 d . . . . .
H26B H -0.2572 0.0940 0.2807 0.079 Uiso 1 1 calc R U . . .
C27B C -0.0648(13) 0.1022(10) 0.2979(7) 0.049(3) Uani 1 1 d . . . . .
H27B H -0.0237 0.1695 0.2951 0.059 Uiso 1 1 calc R U . . .
C31B C 0.908(2) 0.1628(14) 0.1330(11) 0.092(6) Uani 1 1 d . . . . .
C32B C 0.9937(19) 0.1096(13) 0.1089(9) 0.076(4) Uani 1 1 d . U . . .
C33B C 0.978(2) 0.0198(14) 0.1299(9) 0.094(5) Uani 1 1 d . U . . .
H33B H 0.9133 -0.0067 0.1577 0.113 Uiso 1 1 calc R U . . .
C34B C 1.063(2) -0.0310(15) 0.1083(11) 0.100(6) Uani 1 1 d . U . . .
H34B H 1.0530 -0.0915 0.1223 0.120 Uiso 1 1 calc R U . . .
C35B C 1.157(3) 0.006(2) 0.0682(13) 0.122(6) Uani 1 1 d . U . . .
H35B H 1.2083 -0.0309 0.0524 0.147 Uiso 1 1 calc R U . . .
C36B C 1.179(2) 0.0991(18) 0.0501(12) 0.106(6) Uani 1 1 d . U . . .
H36B H 1.2504 0.1283 0.0265 0.127 Uiso 1 1 calc R U . . .
C37B C 1.0920(17) 0.1486(16) 0.0679(9) 0.086(5) Uani 1 1 d . U . . .
H37B H 1.1002 0.2076 0.0522 0.103 Uiso 1 1 calc R U . . .
N1 N 0.6799(11) 0.5404(8) -0.0047(5) 0.047(3) Uani 1 1 d . . . . .
H1 H 0.6685 0.5657 -0.0397 0.056 Uiso 1 1 calc R U . . .
N1B N 0.5600(13) 0.1543(9) 0.3981(7) 0.064(3) Uani 1 1 d . . . . .
N3 N 0.6265(9) 0.3957(7) 0.0437(5) 0.037(2) Uani 1 1 d . . . . .
N7 N 0.8333(10) 0.5903(8) 0.1705(5) 0.044(2) Uani 1 1 d . . . . .
N9 N 0.7253(10) 0.4248(7) 0.1605(5) 0.041(2) Uani 1 1 d . . . . .
N11 N 0.4824(9) 0.5280(7) 0.1825(5) 0.037(2) Uani 1 1 d . . . . .
H11 H 0.4855 0.5542 0.1464 0.045 Uiso 1 1 calc R U . . .
N11B N 0.5212(14) 0.1334(11) 0.1995(7) 0.073(4) Uani 1 1 d . . . . .
N13 N 0.4101(9) 0.3829(7) 0.2283(5) 0.036(2) Uani 1 1 d . . . . .
N17 N 0.5903(9) 0.5735(7) 0.3634(5) 0.036(2) Uani 1 1 d . . . . .
N19 N 0.4805(10) 0.4085(8) 0.3493(5) 0.041(2) Uani 1 1 d . . . . .
N21B N 0.2640(12) 0.1247(9) 0.3285(6) 0.055(3) Uani 1 1 d . . . . .
N31B N 0.8427(18) 0.2082(13) 0.1526(10) 0.101(5) Uani 1 1 d . U . . .
O2 O 0.7944(7) 0.4014(6) 0.4528(4) 0.0334(18) Uani 1 1 d . . . . .
O2T O 0.5505(9) 0.3915(7) -0.0650(4) 0.051(2) Uani 1 1 d . . . . .
O3 O 0.8005(8) 0.3130(6) 0.5587(4) 0.0399(19) Uani 1 1 d . . . . .
O4 O 0.7303(7) 0.5365(6) 0.5312(4) 0.0357(18) Uani 1 1 d . . . . .
O5 O 0.5593(8) 0.3359(6) 0.5105(4) 0.042(2) Uani 1 1 d . . . . .
O6 O 0.7008(8) 0.4330(6) 0.6319(4) 0.0379(19) Uani 1 1 d . . . . .
O6T O 0.8147(9) 0.6972(7) 0.0494(5) 0.054(2) Uani 1 1 d . . . . .
O7 O 0.9969(8) 0.7355(6) 0.3771(4) 0.042(2) Uani 1 1 d . . . . .
O9 O 0.7106(8) 0.3225(6) 0.3191(4) 0.045(2) Uani 1 1 d . . . . .
O10 O 0.8590(7) 0.5255(6) 0.3613(4) 0.0336(18) Uani 1 1 d . . . . .
O11 O 0.9314(8) 0.3001(6) 0.3901(4) 0.0395(19) Uani 1 1 d . . . . .
O12 O 0.9359(8) 0.5071(6) 0.5872(4) 0.0318(16) Uani 1 1 d . . . . .
O12T O 0.3539(9) 0.3809(6) 0.1183(4) 0.047(2) Uani 1 1 d . . . . .
O13 O 0.8335(8) 0.6251(6) 0.6578(4) 0.040(2) Uani 1 1 d . . . . .
O16T O 0.6080(9) 0.6830(6) 0.2402(5) 0.050(2) Uani 1 1 d . . . . .
O20 O 0.9572(8) 0.4057(6) 0.2895(4) 0.042(2) Uani 1 1 d . . . . .
O21 O 0.9582(8) 0.6351(6) 0.4844(4) 0.0368(19) Uani 1 1 d . . . . .
O22 O 0.8052(8) 0.5199(6) 0.7703(4) 0.042(2) Uani 1 1 d . . . . .
O23 O 1.0941(8) 0.6013(6) 0.3157(4) 0.0373(19) Uani 1 1 d . . . . .
O24 O 0.8475(8) 0.7480(6) 0.5631(4) 0.041(2) Uani 1 1 d . . . . .
Ag1 Ag 0.69101(16) 0.27818(9) 0.19216(6) 0.0758(4) Uani 1 1 d . U . . .
Ag2 Ag 0.46409(10) 0.26073(8) 0.37195(6) 0.0495(3) Uani 1 1 d . . . . .
W1 W 1.02069(5) 0.63468(3) 0.39923(2) 0.03453(12) Uani 1 1 d . . . . .
W2 W 0.71915(4) 0.40504(4) 0.54050(2) 0.03451(12) Uani 1 1 d . . . . .
W3 W 0.85278(5) 0.39403(3) 0.36962(2) 0.03413(12) Uani 1 1 d . . . . .
W4 W 0.88754(5) 0.64612(4) 0.56985(2) 0.03479(12) Uani 1 1 d . . . . .
W5 W 0.86315(5) 0.51616(4) 0.69344(3) 0.03663(13) Uani 1 1 d . . . . .
N41B N 0.178(4) 0.763(4) 0.026(3) 0.150(18) Uani 0.5 1 d . . P . .
C41B C 0.122(4) 0.686(4) 0.021(3) 0.11(2) Uani 0.5 1 d . . P . .
C42B C 0.064(4) 0.599(4) 0.006(2) 0.202(17) Uani 1 1 d D U . . .
C43B C 0.082(4) 0.553(4) 0.060(2) 0.212(17) Uani 1 1 d D U . . .
H43B H 0.1387 0.5892 0.0985 0.254 Uiso 1 1 calc R U . . .
C44B C -0.015(3) 0.546(3) -0.056(2) 0.218(16) Uani 1 1 d D U . . .
H44B H -0.0212 0.5780 -0.0918 0.262 Uiso 1 1 calc R 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
C1B N1B 1.140(18) . ?
C1B C2B 1.44(2) . ?
C2 O2T 1.241(14) . ?
C2 N3 1.343(15) . ?
C2 N1 1.380(15) . ?
C2B C3B 1.358(19) . ?
C2B C7B 1.411(18) . ?
C3 N3 1.461(15) . ?
C3 H3A 0.9600 . ?
C3 H3C 0.9600 . ?
C3 H3D 0.9600 . ?
C3B C4B 1.40(2) . ?
C3B H3B 0.9300 . ?
C4 N9 1.346(15) . ?
C4 C5 1.375(17) . ?
C4 N3 1.380(14) . ?
C4B C5B 1.35(2) . ?
C4B H4B 0.9300 . ?
C5 N7 1.385(15) . ?
C5 C6 1.449(16) . ?
C5B C6B 1.38(2) . ?
C5B H5B 0.9300 . ?
C6 O6T 1.232(14) . ?
C6 N1 1.376(15) . ?
C6B C7B 1.36(2) . ?
C6B H6B 0.9300 . ?
C7 N7 1.469(15) . ?
C7 H7A 0.9600 . ?
C7 H7C 0.9600 . ?
C7 H7D 0.9600 . ?
C7B H7B 0.9300 . ?
C8 N7 1.334(16) . ?
C8 N9 1.389(16) . ?
C8 H8 0.9300 . ?
C11B N11B 1.108(18) . ?
C11B C12B 1.47(2) . ?
C12 O12T 1.230(14) . ?
C12 N11 1.350(15) . ?
C12 N13 1.363(15) . ?
C12B C17B 1.37(2) . ?
C12B C13B 1.40(2) . ?
C13 N13 1.475(15) . ?
C13 H13A 0.9600 . ?
C13 H13C 0.9600 . ?
C13 H13D 0.9600 . ?
C13B C14B 1.37(2) . ?
C13B H13B 0.9300 . ?
C14 C15 1.365(18) . ?
C14 N19 1.366(15) . ?
C14 N13 1.382(15) . ?
C14B C15B 1.38(2) . ?
C14B H14B 0.9300 . ?
C15 N17 1.389(16) . ?
C15 C16 1.425(18) . ?
C15B C16B 1.37(2) . ?
C15B H15B 0.9300 . ?
C16 O16T 1.218(14) . ?
C16 N11 1.376(15) . ?
C16B C17B 1.38(2) . ?
C16B H16B 0.9300 . ?
C17 N17 1.467(15) . ?
C17 H17A 0.9600 . ?
C17 H17C 0.9600 . ?
C17 H17D 0.9600 . ?
C17B H17B 0.9300 . ?
C18 N17 1.324(15) . ?
C18 N19 1.340(15) . ?
C18 H18 0.9300 . ?
C21B N21B 1.153(17) . ?
C21B C22B 1.391(18) . ?
C22B C27B 1.386(18) . ?
C22B C23B 1.406(18) . ?
C23B C24B 1.40(2) . ?
C23B H23B 0.9300 . ?
C24B C25B 1.40(2) . ?
C24B H24B 0.9300 . ?
C25B C26B 1.35(2) . ?
C25B H25B 0.9300 . ?
C26B C27B 1.412(19) . ?
C26B H26B 0.9300 . ?
C27B H27B 0.9300 . ?
C31B N31B 1.17(2) . ?
C31B C32B 1.46(3) . ?
C32B C33B 1.38(2) . ?
C32B C37B 1.39(2) . ?
C33B C34B 1.41(3) . ?
C33B H33B 0.9300 . ?
C34B C35B 1.34(3) . ?
C34B H34B 0.9300 . ?
C35B C36B 1.39(3) . ?
C35B H35B 0.9300 . ?
C36B C37B 1.40(3) . ?
C36B H36B 0.9300 . ?
C37B H37B 0.9300 . ?
N1 H1 0.8600 . ?
N1B Ag2 2.240(13) . ?
N9 Ag1 2.215(10) . ?
N11 H11 0.8600 . ?
N11B Ag1 2.279(15) . ?
N19 Ag2 2.200(10) . ?
N21B Ag2 2.376(12) . ?
N31B Ag1 2.331(19) . ?
O2 W3 1.822(8) . ?
O2 W2 1.982(8) . ?
O3 W2 1.901(8) . ?
O3 W1 1.907(8) 2_766 ?
O4 W2 1.903(8) . ?
O4 W4 1.906(8) . ?
O5 W2 1.689(8) . ?
O6 W2 1.863(8) . ?
O6 W5 1.982(8) . ?
O7 W1 1.684(8) . ?
O9 W3 1.698(9) . ?
O9 Ag1 2.524(9) . ?
O10 W3 1.914(8) . ?
O10 W1 1.927(7) . ?
O11 W4 1.914(8) 2_766 ?
O11 W3 1.918(8) . ?
O12 W3 2.271(8) 2_766 ?
O12 W1 2.310(7) 2_766 ?
O12 W5 2.318(8) . ?
O12 W4 2.318(7) . ?
O12 W2 2.343(8) . ?
O13 W4 1.921(8) . ?
O13 W5 1.938(8) . ?
O20 W5 1.854(8) 2_766 ?
O20 W3 2.008(8) . ?
O21 W1 1.874(8) . ?
O21 W4 1.926(8) . ?
O22 W5 1.700(8) . ?
O23 W5 1.904(8) 2_766 ?
O23 W1 1.968(8) . ?
O24 W4 1.698(8) . ?
W1 O3 1.907(8) 2_766 ?
W1 O12 2.310(7) 2_766 ?
W3 O12 2.271(8) 2_766 ?
W4 O11 1.914(8) 2_766 ?
W5 O20 1.854(8) 2_766 ?
W5 O23 1.904(8) 2_766 ?
N41B C41B 1.06(6) . ?
C41B C42B 1.18(6) . ?
C42B C43B 1.40(3) . ?
C42B C44B 1.41(3) . ?
C43B C44B 1.34(5) 2_565 ?
C43B H43B 0.9300 . ?
C44B C43B 1.34(5) 2_565 ?
C44B H44B 0.9300 . ?

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
N1B C1B C2B 176.4(17) . . ?
O2T C2 N3 123.6(11) . . ?
O2T C2 N1 118.2(11) . . ?
N3 C2 N1 118.1(10) . . ?
C3B C2B C7B 121.7(14) . . ?
C3B C2B C1B 119.2(13) . . ?
C7B C2B C1B 119.1(14) . . ?
N3 C3 H3A 109.5 . . ?
N3 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
N3 C3 H3D 109.5 . . ?
H3A C3 H3D 109.5 . . ?
H3C C3 H3D 109.5 . . ?
C2B C3B C4B 117.2(14) . . ?
C2B C3B H3B 121.4 . . ?
C4B C3B H3B 121.4 . . ?
N9 C4 C5 111.1(10) . . ?
N9 C4 N3 127.4(11) . . ?
C5 C4 N3 121.4(11) . . ?
C5B C4B C3B 120.9(16) . . ?
C5B C4B H4B 119.6 . . ?
C3B C4B H4B 119.6 . . ?
C4 C5 N7 105.9(10) . . ?
C4 C5 C6 122.5(11) . . ?
N7 C5 C6 131.6(12) . . ?
C4B C5B C6B 122.1(16) . . ?
C4B C5B H5B 119.0 . . ?
C6B C5B H5B 119.0 . . ?
O6T C6 N1 123.6(11) . . ?
O6T C6 C5 126.2(11) . . ?
N1 C6 C5 110.3(11) . . ?
C7B C6B C5B 118.2(14) . . ?
C7B C6B H6B 120.9 . . ?
C5B C6B H6B 120.9 . . ?
N7 C7 H7A 109.5 . . ?
N7 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
N7 C7 H7D 109.5 . . ?
H7A C7 H7D 109.5 . . ?
H7C C7 H7D 109.5 . . ?
C6B C7B C2B 119.9(14) . . ?
C6B C7B H7B 120.1 . . ?
C2B C7B H7B 120.1 . . ?
N7 C8 N9 110.8(12) . . ?
N7 C8 H8 124.6 . . ?
N9 C8 H8 124.6 . . ?
N11B C11B C12B 177.7(19) . . ?
O12T C12 N11 122.2(11) . . ?
O12T C12 N13 120.9(11) . . ?
N11 C12 N13 116.9(10) . . ?
C17B C12B C13B 120.8(14) . . ?
C17B C12B C11B 122.8(15) . . ?
C13B C12B C11B 116.3(15) . . ?
N13 C13 H13A 109.5 . . ?
N13 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
N13 C13 H13D 109.5 . . ?
H13A C13 H13D 109.5 . . ?
H13C C13 H13D 109.5 . . ?
C14B C13B C12B 119.4(17) . . ?
C14B C13B H13B 120.3 . . ?
C12B C13B H13B 120.3 . . ?
C15 C14 N19 111.7(11) . . ?
C15 C14 N13 122.3(12) . . ?
N19 C14 N13 125.8(12) . . ?
C13B C14B C15B 119.6(16) . . ?
C13B C14B H14B 120.2 . . ?
C15B C14B H14B 120.2 . . ?
C14 C15 N17 105.2(12) . . ?
C14 C15 C16 122.2(12) . . ?
N17 C15 C16 132.5(12) . . ?
C16B C15B C14B 120.6(16) . . ?
C16B C15B H15B 119.7 . . ?
C14B C15B H15B 119.7 . . ?
O16T C16 N11 123.0(12) . . ?
O16T C16 C15 127.3(12) . . ?
N11 C16 C15 109.7(10) . . ?
C15B C16B C17B 120.7(18) . . ?
C15B C16B H16B 119.7 . . ?
C17B C16B H16B 119.7 . . ?
N17 C17 H17A 109.5 . . ?
N17 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
N17 C17 H17D 109.5 . . ?
H17A C17 H17D 109.5 . . ?
H17C C17 H17D 109.5 . . ?
C12B C17B C16B 118.8(16) . . ?
C12B C17B H17B 120.6 . . ?
C16B C17B H17B 120.6 . . ?
N17 C18 N19 114.0(11) . . ?
N17 C18 H18 123.0 . . ?
N19 C18 H18 123.0 . . ?
N21B C21B C22B 177.7(16) . . ?
C27B C22B C21B 120.4(12) . . ?
C27B C22B C23B 119.9(13) . . ?
C21B C22B C23B 119.7(13) . . ?
C24B C23B C22B 120.7(16) . . ?
C24B C23B H23B 119.7 . . ?
C22B C23B H23B 119.7 . . ?
C25B C24B C23B 116.8(16) . . ?
C25B C24B H24B 121.6 . . ?
C23B C24B H24B 121.6 . . ?
C26B C25B C24B 123.7(16) . . ?
C26B C25B H25B 118.1 . . ?
C24B C25B H25B 118.1 . . ?
C25B C26B C27B 119.2(16) . . ?
C25B C26B H26B 120.4 . . ?
C27B C26B H26B 120.4 . . ?
C22B C27B C26B 119.5(13) . . ?
C22B C27B H27B 120.3 . . ?
C26B C27B H27B 120.3 . . ?
N31B C31B C32B 178(2) . . ?
C33B C32B C37B 120(2) . . ?
C33B C32B C31B 118.3(18) . . ?
C37B C32B C31B 121.9(19) . . ?
C32B C33B C34B 119(2) . . ?
C32B C33B H33B 120.6 . . ?
C34B C33B H33B 120.6 . . ?
C35B C34B C33B 122(2) . . ?
C35B C34B H34B 119.2 . . ?
C33B C34B H34B 119.2 . . ?
C34B C35B C36B 120(3) . . ?
C34B C35B H35B 120.0 . . ?
C36B C35B H35B 120.0 . . ?
C35B C36B C37B 119(2) . . ?
C35B C36B H36B 120.3 . . ?
C37B C36B H36B 120.3 . . ?
C32B C37B C36B 120(2) . . ?
C32B C37B H37B 119.9 . . ?
C36B C37B H37B 119.9 . . ?
C6 N1 C2 128.5(11) . . ?
C6 N1 H1 115.7 . . ?
C2 N1 H1 115.7 . . ?
C1B N1B Ag2 169.6(13) . . ?
C2 N3 C4 119.2(10) . . ?
C2 N3 C3 119.2(10) . . ?
C4 N3 C3 121.7(10) . . ?
C8 N7 C5 107.5(11) . . ?
C8 N7 C7 124.5(11) . . ?
C5 N7 C7 128.0(11) . . ?
C4 N9 C8 104.6(10) . . ?
C4 N9 Ag1 134.8(8) . . ?
C8 N9 Ag1 119.6(8) . . ?
C12 N11 C16 130.6(10) . . ?
C12 N11 H11 114.7 . . ?
C16 N11 H11 114.7 . . ?
C11B N11B Ag1 156.6(14) . . ?
C12 N13 C14 118.0(10) . . ?
C12 N13 C13 119.9(10) . . ?
C14 N13 C13 121.4(11) . . ?
C18 N17 C15 106.2(10) . . ?
C18 N17 C17 127.5(11) . . ?
C15 N17 C17 126.2(11) . . ?
C18 N19 C14 102.9(10) . . ?
C18 N19 Ag2 121.8(8) . . ?
C14 N19 Ag2 130.7(8) . . ?
C21B N21B Ag2 151.7(11) . . ?
C31B N31B Ag1 172.3(17) . . ?
W3 O2 W2 176.4(4) . . ?
W2 O3 W1 118.1(4) . 2_766 ?
W2 O4 W4 118.5(4) . . ?
W2 O6 W5 117.7(4) . . ?
W3 O9 Ag1 125.4(4) . . ?
W3 O10 W1 116.5(4) . . ?
W4 O11 W3 116.9(4) 2_766 . ?
W3 O12 W1 91.0(3) 2_766 2_766 ?
W3 O12 W5 91.3(3) 2_766 . ?
W1 O12 W5 90.9(3) 2_766 . ?
W3 O12 W4 90.7(3) 2_766 . ?
W1 O12 W4 177.9(4) 2_766 . ?
W5 O12 W4 90.3(3) . . ?
W3 O12 W2 178.9(4) 2_766 . ?
W1 O12 W2 89.1(3) 2_766 . ?
W5 O12 W2 89.8(3) . . ?
W4 O12 W2 89.2(3) . . ?
W4 O13 W5 116.8(4) . . ?
W5 O20 W3 116.3(4) 2_766 . ?
W1 O21 W4 174.2(5) . . ?
W5 O23 W1 116.9(4) 2_766 . ?
N9 Ag1 N11B 140.3(4) . . ?
N9 Ag1 N31B 111.9(5) . . ?
N11B Ag1 N31B 98.0(6) . . ?
N9 Ag1 O9 102.0(3) . . ?
N11B Ag1 O9 88.1(4) . . ?
N31B Ag1 O9 114.3(5) . . ?
N19 Ag2 N1B 150.2(4) . . ?
N19 Ag2 N21B 116.9(4) . . ?
N1B Ag2 N21B 90.4(4) . . ?
O7 W1 O21 100.4(4) . . ?
O7 W1 O3 103.6(4) . 2_766 ?
O21 W1 O3 90.0(3) . 2_766 ?
O7 W1 O10 103.7(4) . . ?
O21 W1 O10 90.1(3) . . ?
O3 W1 O10 152.2(3) 2_766 . ?
O7 W1 O23 95.4(4) . . ?
O21 W1 O23 164.2(3) . . ?
O3 W1 O23 86.5(3) 2_766 . ?
O10 W1 O23 86.0(3) . . ?
O7 W1 O12 170.9(3) . 2_766 ?
O21 W1 O12 88.7(3) . 2_766 ?
O3 W1 O12 76.7(3) 2_766 2_766 ?
O10 W1 O12 75.5(3) . 2_766 ?
O23 W1 O12 75.6(3) . 2_766 ?
O5 W2 O6 100.0(4) . . ?
O5 W2 O3 106.3(4) . . ?
O6 W2 O3 90.4(3) . . ?
O5 W2 O4 102.3(4) . . ?
O6 W2 O4 89.4(3) . . ?
O3 W2 O4 151.0(3) . . ?
O5 W2 O2 97.1(4) . . ?
O6 W2 O2 162.9(3) . . ?
O3 W2 O2 85.7(3) . . ?
O4 W2 O2 86.0(3) . . ?
O5 W2 O12 176.3(3) . . ?
O6 W2 O12 77.0(3) . . ?
O3 W2 O12 76.0(3) . . ?
O4 W2 O12 75.7(3) . . ?
O2 W2 O12 85.9(3) . . ?
O9 W3 O2 102.2(4) . . ?
O9 W3 O10 101.1(4) . . ?
O2 W3 O10 92.4(3) . . ?
O9 W3 O11 103.9(4) . . ?
O2 W3 O11 91.3(3) . . ?
O10 W3 O11 153.3(3) . . ?
O9 W3 O20 90.8(4) . . ?
O2 W3 O20 167.0(3) . . ?
O10 W3 O20 84.7(3) . . ?
O11 W3 O20 85.7(3) . . ?
O9 W3 O12 166.0(4) . 2_766 ?
O2 W3 O12 91.7(3) . 2_766 ?
O10 W3 O12 76.7(3) . 2_766 ?
O11 W3 O12 76.8(3) . 2_766 ?
O20 W3 O12 75.3(3) . 2_766 ?
O24 W4 O4 103.7(4) . . ?
O24 W4 O11 104.5(4) . 2_766 ?
O4 W4 O11 151.7(3) . 2_766 ?
O24 W4 O13 99.0(4) . . ?
O4 W4 O13 88.7(3) . . ?
O11 W4 O13 88.4(3) 2_766 . ?
O24 W4 O21 97.7(4) . . ?
O4 W4 O21 88.3(3) . . ?
O11 W4 O21 86.4(3) 2_766 . ?
O13 W4 O21 163.3(3) . . ?
O24 W4 O12 175.5(3) . . ?
O4 W4 O12 76.3(3) . . ?
O11 W4 O12 75.7(3) 2_766 . ?
O13 W4 O12 76.6(3) . . ?
O21 W4 O12 86.7(3) . . ?
O22 W5 O20 104.7(4) . 2_766 ?
O22 W5 O23 103.0(4) . 2_766 ?
O20 W5 O23 90.0(3) 2_766 2_766 ?
O22 W5 O13 104.0(4) . . ?
O20 W5 O13 88.6(3) 2_766 . ?
O23 W5 O13 152.4(3) 2_766 . ?
O22 W5 O6 102.8(4) . . ?
O20 W5 O6 152.4(3) 2_766 . ?
O23 W5 O6 85.3(3) 2_766 . ?
O13 W5 O6 83.4(3) . . ?
O22 W5 O12 178.2(3) . . ?
O20 W5 O12 77.0(3) 2_766 . ?
O23 W5 O12 76.5(3) 2_766 . ?
O13 W5 O12 76.3(3) . . ?
O6 W5 O12 75.5(3) . . ?
N41B C41B C42B 170(7) . . ?
C41B C42B C43B 109(6) . . ?
C41B C42B C44B 129(6) . . ?
C43B C42B C44B 123(6) . . ?
C44B C43B C42B 119(5) 2_565 . ?
C44B C43B H43B 120.6 2_565 . ?
C42B C43B H43B 120.6 . . ?
C43B C44B C42B 119(4) 2_565 . ?
C43B C44B H44B 120.7 2_565 . ?
C42B C44B H44B 120.7 . . ?

_refine_diff_density_max         1.348
_refine_diff_density_min         -2.092
_refine_diff_density_rms         0.224
_database_code_depnum_ccdc_archive 'CCDC 943411'
