# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 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.
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#  fide research purposes only. It may contain copyright material
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data_haiyan

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H16 Ag6 K2 N20 O40 P W12'
_chemical_formula_sum            'C24 H16 Ag6 K2 N20 O40 P W12'
_chemical_formula_weight         4187.04

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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_hall  '-P 2ybc'

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                   10.5554(8)
_cell_length_b                   22.6863(18)
_cell_length_c                   12.4204(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.7120(10)
_cell_angle_gamma                90.00
_cell_volume                     2922.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2633
_cell_measurement_theta_min      2.496
_cell_measurement_theta_max      27.729

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.758
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3686
_exptl_absorpt_coefficient_mu    25.749
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.001
_exptl_absorpt_correction_T_max  0.002
_exptl_absorpt_process_details   adabs(Sheldrick,1996)

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14482
_diffrn_reflns_av_R_equivalents  0.0790
_diffrn_reflns_av_sigmaI/netI    0.0822
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.89
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5149
_reflns_number_gt                3845
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
ISOR  0.01 N6 C5 C7 C8 N1 N3 N7 N9 C2 O18 P2 N4 C6 C9 C4
ISOR  0.01 O22 O16 O12 O1 O23 O99 O96 O5 O7 O9 O10 O15 O21 O2 O98 O11 O20 O8 
DELU     0.010   0.010 C10 N4 N5 N6 N2
DELU     0.010   0.010 C1 C3 C4 C6 C9 N11
DELU 0.010 0.010 C7 C8 C11 C12 C5 
SIMU     0.040   0.080   3.800 C10 N4 N5 N6 N2
SIMU     0.040   0.080   3.800 C1 C3 C4 C6 C9 N11
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0648P)^2^+171.2654P] where P=(Fo^2^+2Fc^2^)/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         5149
_refine_ls_number_parameters     469
_refine_ls_number_restraints     263
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_ref         0.1532
_refine_ls_wR_factor_gt          0.1408
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.056
_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 0.543(3) 0.9582(13) 0.378(3) 0.046(8) Uani 1 1 d . . .
H1 H 0.4541 0.9597 0.3519 0.055 Uiso 1 1 calc R . .
C3 C 0.628(3) 0.9928(13) 0.329(3) 0.061(11) Uani 1 1 d . . .
H3 H 0.5974 1.0166 0.2684 0.073 Uiso 1 1 calc R . .
C4 C 0.724(2) 0.9239(11) 0.5062(18) 0.020(5) Uani 1 1 d U . .
H4 H 0.7605 0.9019 0.5674 0.024 Uiso 1 1 calc R . .
C6 C 0.800(3) 0.9578(14) 0.457(2) 0.043(7) Uani 1 1 d U . .
H6 H 0.8879 0.9584 0.4837 0.052 Uiso 1 1 calc R . .
C9 C 0.594(2) 0.9211(11) 0.4684(18) 0.022(5) Uani 1 1 d U . .
C10 C 0.5103(19) 0.8811(11) 0.5098(18) 0.018(4) Uani 1 1 d U . .
C2 C -0.2608(18) 0.7601(9) 0.3540(15) 0.010(4) Uani 1 1 d U . .
N1 N -0.0719(15) 0.7861(8) 0.4262(13) 0.010(3) Uani 1 1 d U . .
N3 N -0.0719(14) 0.7668(7) 0.3262(12) 0.007(3) Uani 1 1 d U . .
N4 N 0.4318(17) 0.8043(9) 0.5735(16) 0.024(4) Uani 1 1 d U . .
N9 N -0.1919(16) 0.7844(8) 0.4453(13) 0.012(4) Uani 1 1 d U . .
N10 N -0.1887(15) 0.7511(8) 0.2796(12) 0.011(4) Uani 1 1 d . . .
N7 N -0.6726(16) 0.7515(8) 0.3027(13) 0.013(4) Uani 1 1 d U . .
N5 N 0.3809(16) 0.8877(9) 0.4934(16) 0.020(4) Uani 1 1 d U . .
N6 N 0.5417(16) 0.8301(9) 0.5563(14) 0.018(3) Uani 1 1 d U . .
N2 N 0.3385(17) 0.8407(9) 0.5367(16) 0.023(4) Uani 1 1 d U . .
N11 N 0.752(2) 0.9903(11) 0.370(3) 0.056(8) Uani 1 1 d . . .
O2 O -0.314(2) 0.8517(9) 1.1285(15) 0.044(5) Uani 1 1 d U . .
O5 O -0.087(2) 0.8475(11) 1.0623(17) 0.060(6) Uani 1 1 d U . .
O7 O 0.2026(19) 0.9271(9) 0.8344(13) 0.042(5) Uani 1 1 d U . .
O8 O 0.108(2) 1.0825(11) 0.7817(18) 0.058(6) Uani 1 1 d U . .
O9 O -0.212(2) 1.0142(10) 0.7374(19) 0.058(6) Uani 1 1 d U . .
O10 O 0.0477(16) 0.8574(8) 0.6801(13) 0.032(4) Uani 1 1 d U . .
O11 O 0.0510(19) 0.8515(9) 0.8998(14) 0.045(5) Uani 1 1 d U . .
O12 O -0.3458(15) 1.0108(7) 0.8929(11) 0.019(3) Uani 1 1 d U . .
O13 O -0.4065(17) 0.9284(8) 0.7322(13) 0.032(4) Uani 1 1 d . . .
O14 O 0.1396(15) 0.7830(7) 1.0809(14) 0.027(4) Uani 1 1 d . . .
O15 O -0.1214(17) 1.1166(9) 0.8021(14) 0.042(5) Uani 1 1 d U . .
O1 O -0.065(4) 0.983(2) 0.882(3) 0.050 Uiso 0.50 1 d P . .
O23 O -0.134(4) 0.985(2) 0.991(3) 0.050 Uiso 0.50 1 d P . .
O96 O 0.089(4) 0.951(2) 0.972(3) 0.050 Uiso 0.50 1 d P . .
O99 O -0.019(4) 0.944(2) 1.070(3) 0.050 Uiso 0.50 1 d P . .
O16 O 0.0180(19) 0.9796(10) 0.7094(18) 0.054(6) Uani 1 1 d U . .
O18 O 0.4512(17) 0.9280(9) 0.9509(14) 0.035(4) Uani 1 1 d U . .
O19 O -0.2703(16) 0.9004(7) 0.9355(11) 0.023(4) Uani 1 1 d U . .
O20 O -0.2991(16) 0.9717(8) 1.0966(12) 0.027(4) Uani 1 1 d U . .
O21 O -0.0883(13) 1.0774(7) 0.5958(11) 0.020(3) Uani 1 1 d U . .
O22 O -0.1429(19) 0.9035(10) 0.7799(18) 0.053(6) Uani 1 1 d U . .
O98 O 0.252(2) 0.8862(9) 1.0366(14) 0.044(5) Uani 1 1 d U . .
P2 P 0.0000 1.0000 1.0000 0.0073(14) Uani 1 2 d SU . .
Ag1 Ag 0.12583(14) 0.82301(8) 0.51538(13) 0.0178(4) Uani 1 1 d . . .
Ag2 Ag 0.11989(14) 0.75442(8) 0.28976(13) 0.0177(4) Uani 1 1 d U . .
Ag3 Ag -0.25769(19) 0.71682(11) 0.11200(14) 0.0346(5) Uani 1 1 d . . .
W1 W 0.09176(11) 0.85235(5) 1.05390(8) 0.0302(3) Uani 1 1 d . . .
W2 W 0.30905(9) 0.95194(5) 0.96871(8) 0.0230(3) Uani 1 1 d . . .
W3 W -0.27558(8) 0.95200(5) 0.81649(8) 0.0223(3) Uani 1 1 d . . .
W4 W -0.21667(8) 0.89952(5) 1.08864(7) 0.0194(2) Uani 1 1 d . . .
W5 W -0.06310(10) 1.05351(5) 0.72562(7) 0.0293(3) Uani 1 1 d . . .
W6 W 0.03255(10) 0.90414(5) 0.78101(7) 0.0239(3) Uani 1 1 d . . .
K1 K 0.4387(5) 0.6980(2) 0.5691(4) 0.0231(11) Uani 1 1 d . . .
C5 C -0.4057(18) 0.7552(10) 0.3335(17) 0.016(4) Uani 1 1 d U . .
C12 C -0.483(2) 0.8012(13) 0.290(2) 0.034(6) Uani 1 1 d U . .
H12 H -0.4443 0.8352 0.2694 0.041 Uiso 1 1 calc R . .
C7 C -0.468(2) 0.7067(12) 0.358(2) 0.032(5) Uani 1 1 d U . .
H7 H -0.4204 0.6740 0.3872 0.039 Uiso 1 1 calc R . .
C8 C -0.612(2) 0.7998(11) 0.2749(19) 0.024(5) Uani 1 1 d U . .
H8 H -0.6597 0.8323 0.2453 0.029 Uiso 1 1 calc R . .
C11 C -0.603(2) 0.7045(13) 0.339(3) 0.042(8) Uani 1 1 d U . .
H11 H -0.6437 0.6696 0.3518 0.050 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.032(15) 0.04(2) 0.07(2) 0.027(16) 0.020(14) 0.024(14)
C3 0.038(17) 0.021(19) 0.14(3) 0.03(2) 0.06(2) 0.013(14)
C4 0.020(5) 0.020(5) 0.020(5) -0.0002(11) 0.0038(14) -0.0002(11)
C6 0.043(7) 0.043(7) 0.043(7) -0.0001(11) 0.0082(17) 0.0000(11)
C9 0.022(5) 0.022(5) 0.023(5) -0.0002(11) 0.0043(14) 0.0000(11)
C10 0.006(7) 0.021(10) 0.027(10) 0.004(8) 0.003(7) 0.006(7)
C2 0.010(4) 0.010(4) 0.010(4) 0.0000(11) 0.0018(13) 0.0000(11)
N1 0.010(4) 0.010(4) 0.010(4) 0.0002(11) 0.0019(12) 0.0001(11)
N3 0.007(3) 0.007(3) 0.007(3) 0.0002(10) 0.0014(12) -0.0001(10)
N4 0.012(6) 0.027(7) 0.031(7) 0.009(6) 0.000(6) -0.001(5)
N9 0.012(4) 0.012(4) 0.012(4) -0.0001(11) 0.0022(12) -0.0001(11)
N10 0.005(8) 0.018(11) 0.011(8) 0.002(7) 0.004(6) -0.003(7)
N7 0.013(4) 0.013(4) 0.013(4) 0.0001(11) 0.0027(12) -0.0001(11)
N5 0.008(7) 0.013(9) 0.038(10) -0.002(7) 0.005(7) 0.000(6)
N6 0.009(5) 0.023(7) 0.021(7) 0.006(6) -0.003(5) -0.002(5)
N2 0.011(6) 0.023(10) 0.035(10) 0.003(8) 0.007(7) -0.004(6)
N11 0.052(16) 0.016(15) 0.12(2) -0.020(15) 0.065(17) -0.009(11)
O2 0.062(9) 0.037(9) 0.043(8) 0.004(7) 0.034(7) -0.010(7)
O5 0.053(9) 0.078(10) 0.045(8) -0.025(8) -0.006(7) 0.017(8)
O7 0.056(9) 0.041(9) 0.022(7) 0.006(7) -0.012(6) -0.025(7)
O8 0.047(9) 0.069(10) 0.055(9) -0.033(8) 0.001(7) 0.015(8)
O9 0.056(9) 0.054(10) 0.077(10) 0.025(8) 0.047(8) 0.013(8)
O10 0.036(7) 0.040(9) 0.024(7) -0.019(6) 0.015(6) -0.009(7)
O11 0.058(9) 0.043(9) 0.029(7) 0.012(7) -0.009(7) -0.029(7)
O12 0.037(7) 0.009(7) 0.012(6) -0.003(5) 0.004(5) -0.002(6)
O13 0.042(11) 0.019(11) 0.027(9) -0.009(8) -0.016(8) 0.007(8)
O14 0.023(9) 0.011(10) 0.046(10) 0.013(8) 0.002(7) -0.002(7)
O15 0.031(8) 0.055(9) 0.035(7) -0.027(7) -0.005(6) 0.023(7)
O16 0.048(9) 0.047(10) 0.077(10) 0.020(8) 0.041(8) 0.021(7)
O18 0.035(4) 0.035(4) 0.035(4) -0.0002(11) 0.0067(13) 0.0007(11)
O19 0.040(7) 0.016(8) 0.012(6) 0.002(6) 0.003(6) 0.002(6)
O20 0.042(8) 0.018(8) 0.018(6) 0.006(6) 0.001(6) 0.003(6)
O21 0.012(6) 0.028(8) 0.019(6) 0.007(6) 0.004(5) -0.008(6)
O22 0.046(8) 0.053(10) 0.073(9) 0.026(8) 0.046(7) 0.018(7)
O98 0.062(9) 0.036(9) 0.028(7) 0.006(7) -0.007(7) -0.032(7)
P2 0.0078(16) 0.0069(17) 0.0074(16) 0.0006(10) 0.0019(10) 0.0004(10)
Ag1 0.0086(7) 0.0228(11) 0.0225(8) -0.0001(7) 0.0040(6) -0.0048(7)
Ag2 0.0074(6) 0.0229(8) 0.0244(7) 0.0025(6) 0.0072(5) 0.0005(6)
Ag3 0.0356(11) 0.0523(15) 0.0145(8) -0.0109(9) 0.0010(7) 0.0013(10)
W1 0.0413(6) 0.0205(7) 0.0245(5) -0.0023(4) -0.0048(4) 0.0104(5)
W2 0.0155(5) 0.0251(6) 0.0286(5) -0.0009(4) 0.0045(4) -0.0005(4)
W3 0.0142(5) 0.0262(6) 0.0263(5) 0.0041(4) 0.0034(4) -0.0020(4)
W4 0.0111(4) 0.0284(6) 0.0188(4) -0.0014(4) 0.0029(3) -0.0015(4)
W5 0.0333(6) 0.0426(8) 0.0137(4) 0.0106(4) 0.0087(4) 0.0221(5)
W6 0.0436(6) 0.0142(6) 0.0177(5) -0.0014(4) 0.0155(4) 0.0030(4)
K1 0.028(3) 0.009(3) 0.034(3) 0.003(2) 0.008(2) -0.006(2)
C5 0.007(6) 0.016(8) 0.023(8) -0.007(7) 0.003(6) 0.001(5)
C12 0.015(8) 0.038(14) 0.046(15) 0.031(13) -0.006(11) -0.001(10)
C7 0.021(8) 0.028(9) 0.046(10) 0.010(8) 0.003(7) 0.003(7)
C8 0.018(7) 0.021(9) 0.033(9) 0.009(8) 0.004(7) 0.008(7)
C11 0.015(9) 0.026(17) 0.08(2) 0.036(16) 0.003(13) 0.001(10)

_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 C3 1.42(4) . ?
C1 C9 1.43(4) . ?
C3 N11 1.31(4) . ?
C4 C6 1.34(4) . ?
C4 C9 1.37(3) . ?
C6 N11 1.33(4) . ?
C9 C10 1.43(3) . ?
C10 N6 1.31(3) . ?
C10 N5 1.35(3) . ?
C2 N10 1.32(2) . ?
C2 N9 1.35(3) . ?
C2 C5 1.51(3) . ?
N1 N3 1.32(2) . ?
N1 N9 1.33(2) . ?
N1 Ag1 2.329(16) . ?
N3 N10 1.31(2) . ?
N3 Ag2 2.174(15) . ?
N4 N2 1.30(3) . ?
N4 N6 1.35(3) . ?
N4 K1 2.41(2) . ?
N9 Ag3 2.304(16) 4_576 ?
N10 Ag3 2.215(16) . ?
N7 C11 1.33(3) . ?
N7 C8 1.35(3) . ?
N7 Ag2 2.167(16) 1_455 ?
N5 N2 1.31(3) . ?
N6 Ag3 2.355(17) 4_676 ?
N6 K1 3.20(2) . ?
N2 Ag1 2.247(18) . ?
N2 K1 3.41(2) . ?
O2 W4 1.634(18) . ?
O2 K1 2.81(2) 4_476 ?
O5 W4 1.88(2) . ?
O5 W1 1.91(2) . ?
O7 W6 1.868(18) . ?
O7 W2 1.915(16) . ?
O8 W4 1.84(2) 3_577 ?
O8 W5 1.93(2) . ?
O9 W5 1.83(2) . ?
O9 W3 1.91(2) . ?
O10 W6 1.673(16) . ?
O10 Ag1 2.469(15) . ?
O11 W6 1.880(18) . ?
O11 W1 1.882(17) . ?
O12 W3 1.868(15) . ?
O12 W2 1.891(14) 3_577 ?
O13 W3 1.660(16) . ?
O14 W1 1.667(16) . ?
O14 Ag1 2.535(17) 4_576 ?
O14 K1 3.217(17) 4_576 ?
O15 W5 1.884(17) . ?
O15 W1 1.893(16) 3_577 ?
O1 P2 1.54(4) . ?
O1 O23 1.66(6) . ?
O1 W3 2.34(4) . ?
O1 W5 2.52(4) . ?
O1 W6 2.52(4) . ?
O23 P2 1.44(4) . ?
O23 O96 1.57(6) 3_577 ?
O23 O99 1.69(6) . ?
O23 W2 2.45(4) 3_577 ?
O23 W3 2.51(4) . ?
O23 W4 2.53(4) . ?
O96 P2 1.54(4) . ?
O96 O23 1.57(6) 3_577 ?
O96 W2 2.33(4) . ?
O96 W1 2.45(4) . ?
O99 P2 1.57(4) . ?
O99 W4 2.37(4) . ?
O99 W1 2.42(4) . ?
O99 W5 2.53(4) 3_577 ?
O16 W5 1.91(2) . ?
O16 W6 1.92(2) . ?
O18 W2 1.649(18) . ?
O18 K1 3.23(2) 4_576 ?
O19 W3 1.878(15) . ?
O19 W4 1.882(14) . ?
O20 W4 1.867(17) . ?
O20 W2 1.907(16) 3_577 ?
O21 W5 1.675(14) . ?
O22 W6 1.850(19) . ?
O22 W3 1.901(19) . ?
O98 W2 1.870(18) . ?
O98 W1 1.902(19) . ?
O98 K1 2.72(2) 4_576 ?
P2 O23 1.44(4) 3_577 ?
P2 O1 1.54(4) 3_577 ?
P2 O96 1.54(4) 3_577 ?
P2 O99 1.57(4) 3_577 ?
Ag1 O14 2.535(17) 4_575 ?
Ag1 Ag2 3.196(2) . ?
Ag2 N7 2.167(17) 1_655 ?
Ag3 N9 2.304(16) 4_575 ?
Ag3 N6 2.355(17) 4_475 ?
Ag3 K1 3.695(5) 4_475 ?
W1 O15 1.893(16) 3_577 ?
W1 K1 3.807(5) 4_576 ?
W2 O12 1.891(14) 3_577 ?
W2 O20 1.907(17) 3_577 ?
W2 O23 2.45(4) 3_577 ?
W2 K1 3.789(5) 4_576 ?
W4 O8 1.84(2) 3_577 ?
W5 O99 2.53(4) 3_577 ?
K1 C8 2.71(2) 4_676 ?
K1 C12 2.71(3) 4_676 ?
K1 O98 2.72(2) 4_575 ?
K1 O2 2.81(2) 4_675 ?
K1 C11 2.82(3) 1_655 ?
K1 C7 2.98(3) 1_655 ?
K1 O14 3.217(17) 4_575 ?
K1 O18 3.23(2) 4_575 ?
K1 Ag3 3.695(5) 4_676 ?
C5 C7 1.34(3) . ?
C5 C12 1.38(3) . ?
C12 C8 1.33(3) . ?
C12 K1 2.71(3) 4_475 ?
C7 C11 1.40(3) . ?
C7 K1 2.98(3) 1_455 ?
C8 K1 2.71(2) 4_475 ?
C11 K1 2.82(3) 1_455 ?

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
C3 C1 C9 119(3) . . ?
N11 C3 C1 118(3) . . ?
C6 C4 C9 121(2) . . ?
N11 C6 C4 122(3) . . ?
C4 C9 C1 117(2) . . ?
C4 C9 C10 124(2) . . ?
C1 C9 C10 119(2) . . ?
N6 C10 N5 109(2) . . ?
N6 C10 C9 127(2) . . ?
N5 C10 C9 123(2) . . ?
N10 C2 N9 111.2(17) . . ?
N10 C2 C5 124.8(17) . . ?
N9 C2 C5 123.0(18) . . ?
N3 N1 N9 108.9(15) . . ?
N3 N1 Ag1 114.3(11) . . ?
N9 N1 Ag1 136.4(12) . . ?
N10 N3 N1 110.0(15) . . ?
N10 N3 Ag2 135.2(12) . . ?
N1 N3 Ag2 113.7(11) . . ?
N2 N4 N6 106.6(18) . . ?
N2 N4 K1 130.5(15) . . ?
N6 N4 K1 113.5(14) . . ?
N1 N9 C2 104.2(15) . . ?
N1 N9 Ag3 128.0(12) . 4_576 ?
C2 N9 Ag3 123.1(13) . 4_576 ?
N3 N10 C2 105.5(15) . . ?
N3 N10 Ag3 129.0(12) . . ?
C2 N10 Ag3 125.5(13) . . ?
C11 N7 C8 118.6(19) . . ?
C11 N7 Ag2 122.7(16) . 1_455 ?
C8 N7 Ag2 118.6(14) . 1_455 ?
N2 N5 C10 105.2(18) . . ?
C10 N6 N4 107.3(18) . . ?
C10 N6 Ag3 132.0(14) . 4_676 ?
N4 N6 Ag3 120.7(14) . 4_676 ?
C10 N6 K1 142.1(14) . . ?
N4 N6 K1 43.8(11) . . ?
Ag3 N6 K1 81.8(6) 4_676 . ?
N4 N2 N5 111.5(17) . . ?
N4 N2 Ag1 127.0(15) . . ?
N5 N2 Ag1 120.5(14) . . ?
N4 N2 K1 32.6(11) . . ?
N5 N2 K1 134.4(13) . . ?
Ag1 N2 K1 97.2(7) . . ?
C3 N11 C6 123(3) . . ?
W4 O2 K1 142.4(11) . 4_476 ?
W4 O5 W1 136.9(14) . . ?
W6 O7 W2 139.5(11) . . ?
W4 O8 W5 141.3(14) 3_577 . ?
W5 O9 W3 142.0(13) . . ?
W6 O10 Ag1 156.1(10) . . ?
W6 O11 W1 139.7(12) . . ?
W3 O12 W2 138.4(9) . 3_577 ?
W1 O14 Ag1 146.4(9) . 4_576 ?
W1 O14 K1 97.3(6) . 4_576 ?
Ag1 O14 K1 96.4(5) 4_576 4_576 ?
W5 O15 W1 138.3(10) . 3_577 ?
P2 O1 O23 53.4(19) . . ?
P2 O1 W3 129(2) . . ?
O23 O1 W3 76(2) . . ?
P2 O1 W5 121(2) . . ?
O23 O1 W5 133(3) . . ?
W3 O1 W5 93.7(14) . . ?
P2 O1 W6 120(2) . . ?
O23 O1 W6 135(3) . . ?
W3 O1 W6 93.3(15) . . ?
W5 O1 W6 90.1(13) . . ?
P2 O23 O96 61(2) . 3_577 ?
P2 O23 O1 59(2) . . ?
O96 O23 O1 96(3) 3_577 . ?
P2 O23 O99 60(2) . . ?
O96 O23 O99 101(3) 3_577 . ?
O1 O23 O99 94(3) . . ?
P2 O23 W2 128(3) . 3_577 ?
O96 O23 W2 67(2) 3_577 3_577 ?
O1 O23 W2 130(3) . 3_577 ?
O99 O23 W2 134(3) . 3_577 ?
P2 O23 W3 123(2) . . ?
O96 O23 W3 129(3) 3_577 . ?
O1 O23 W3 64.4(19) . . ?
O99 O23 W3 126(3) . . ?
W2 O23 W3 90.1(13) 3_577 . ?
P2 O23 W4 124(2) . . ?
O96 O23 W4 133(3) 3_577 . ?
O1 O23 W4 128(3) . . ?
O99 O23 W4 65(2) . . ?
W2 O23 W4 90.7(14) 3_577 . ?
W3 O23 W4 88.8(14) . . ?
P2 O96 O23 55(2) . 3_577 ?
P2 O96 W2 130(2) . . ?
O23 O96 W2 75(2) 3_577 . ?
P2 O96 W1 122(2) . . ?
O23 O96 W1 138(3) 3_577 . ?
W2 O96 W1 94.8(15) . . ?
P2 O99 O23 52(2) . . ?
P2 O99 W4 127(2) . . ?
O23 O99 W4 75(2) . . ?
P2 O99 W1 122(2) . . ?
O23 O99 W1 137(3) . . ?
W4 O99 W1 94.9(16) . . ?
P2 O99 W5 119(2) . 3_577 ?
O23 O99 W5 130(3) . 3_577 ?
W4 O99 W5 93.2(14) . 3_577 ?
W1 O99 W5 91.0(14) . 3_577 ?
W5 O16 W6 137.0(11) . . ?
W2 O18 K1 96.7(8) . 4_576 ?
W3 O19 W4 139.6(9) . . ?
W4 O20 W2 139.8(9) . 3_577 ?
W6 O22 W3 140.8(14) . . ?
W2 O98 W1 137.9(12) . . ?
W2 O98 K1 109.9(9) . 4_576 ?
W1 O98 K1 109.6(8) . 4_576 ?
O23 P2 O23 180(5) 3_577 . ?
O23 P2 O1 67(2) 3_577 3_577 ?
O23 P2 O1 113(2) . 3_577 ?
O23 P2 O1 113(2) 3_577 . ?
O23 P2 O1 67(2) . . ?
O1 P2 O1 180.00(2) 3_577 . ?
O23 P2 O96 116(2) 3_577 3_577 ?
O23 P2 O96 64(2) . 3_577 ?
O1 P2 O96 78(2) 3_577 3_577 ?
O1 P2 O96 102(2) . 3_577 ?
O23 P2 O96 64(2) 3_577 . ?
O23 P2 O96 116(2) . . ?
O1 P2 O96 102(2) 3_577 . ?
O1 P2 O96 78(2) . . ?
O96 P2 O96 180(3) 3_577 . ?
O23 P2 O99 112(2) 3_577 . ?
O23 P2 O99 68(2) . . ?
O1 P2 O99 76(2) 3_577 . ?
O1 P2 O99 104(2) . . ?
O96 P2 O99 108(2) 3_577 . ?
O96 P2 O99 72(2) . . ?
O23 P2 O99 68(2) 3_577 3_577 ?
O23 P2 O99 112(2) . 3_577 ?
O1 P2 O99 104(2) 3_577 3_577 ?
O1 P2 O99 76(2) . 3_577 ?
O96 P2 O99 72(2) 3_577 3_577 ?
O96 P2 O99 108(2) . 3_577 ?
O99 P2 O99 180.0(19) . 3_577 ?
N2 Ag1 N1 155.2(6) . . ?
N2 Ag1 O10 109.0(6) . . ?
N1 Ag1 O10 95.7(6) . . ?
N2 Ag1 O14 97.8(6) . 4_575 ?
N1 Ag1 O14 78.7(6) . 4_575 ?
O10 Ag1 O14 92.4(6) . 4_575 ?
N2 Ag1 Ag2 92.7(5) . . ?
N1 Ag1 Ag2 62.5(4) . . ?
O10 Ag1 Ag2 157.6(4) . . ?
O14 Ag1 Ag2 79.1(4) 4_575 . ?
N7 Ag2 N3 163.0(6) 1_655 . ?
N7 Ag2 Ag1 95.4(4) 1_655 . ?
N3 Ag2 Ag1 67.8(4) . . ?
N10 Ag3 N9 138.4(6) . 4_575 ?
N10 Ag3 N6 123.7(6) . 4_475 ?
N9 Ag3 N6 97.8(6) 4_575 4_475 ?
N10 Ag3 K1 94.4(4) . 4_475 ?
N9 Ag3 K1 105.9(4) 4_575 4_475 ?
N6 Ag3 K1 59.1(5) 4_475 4_475 ?
O14 W1 O11 101.5(9) . . ?
O14 W1 O15 99.8(9) . 3_577 ?
O11 W1 O15 158.6(9) . 3_577 ?
O14 W1 O98 99.3(9) . . ?
O11 W1 O98 85.9(8) . . ?
O15 W1 O98 87.9(8) 3_577 . ?
O14 W1 O5 101.6(10) . . ?
O11 W1 O5 90.8(9) . . ?
O15 W1 O5 87.8(8) 3_577 . ?
O98 W1 O5 159.1(10) . . ?
O14 W1 O99 158.5(12) . . ?
O11 W1 O99 94.1(12) . . ?
O15 W1 O99 66.3(11) 3_577 . ?
O98 W1 O99 96.6(12) . . ?
O5 W1 O99 63.1(13) . . ?
O14 W1 O96 157.3(12) . . ?
O11 W1 O96 66.6(12) . . ?
O15 W1 O96 92.5(12) 3_577 . ?
O98 W1 O96 61.9(12) . . ?
O5 W1 O96 97.9(13) . . ?
O99 W1 O96 44.0(14) . . ?
O14 W1 K1 56.9(6) . 4_576 ?
O11 W1 K1 94.8(7) . 4_576 ?
O15 W1 K1 94.4(5) 3_577 4_576 ?
O98 W1 K1 42.3(7) . 4_576 ?
O5 W1 K1 158.5(8) . 4_576 ?
O99 W1 K1 136.9(10) . 4_576 ?
O96 W1 K1 103.4(10) . 4_576 ?
O18 W2 O98 100.2(10) . . ?
O18 W2 O12 103.4(8) . 3_577 ?
O98 W2 O12 88.6(7) . 3_577 ?
O18 W2 O20 102.8(8) . 3_577 ?
O98 W2 O20 156.9(9) . 3_577 ?
O12 W2 O20 88.1(7) 3_577 3_577 ?
O18 W2 O7 100.8(9) . . ?
O98 W2 O7 88.3(8) . . ?
O12 W2 O7 155.8(8) 3_577 . ?
O20 W2 O7 85.4(8) 3_577 . ?
O18 W2 O96 158.8(13) . . ?
O98 W2 O96 64.8(13) . . ?
O12 W2 O96 91.6(11) 3_577 . ?
O20 W2 O96 92.5(12) 3_577 . ?
O7 W2 O96 65.4(12) . . ?
O18 W2 O23 162.9(12) . 3_577 ?
O98 W2 O23 93.0(13) . 3_577 ?
O12 W2 O23 65.9(11) 3_577 3_577 ?
O20 W2 O23 64.9(11) 3_577 3_577 ?
O7 W2 O23 90.3(12) . 3_577 ?
O96 W2 O23 38.3(15) . 3_577 ?
O18 W2 K1 57.7(7) . 4_576 ?
O98 W2 K1 42.5(7) . 4_576 ?
O12 W2 K1 95.8(5) 3_577 4_576 ?
O20 W2 K1 160.6(5) 3_577 4_576 ?
O7 W2 K1 98.1(6) . 4_576 ?
O96 W2 K1 106.4(11) . 4_576 ?
O23 W2 K1 133.9(10) 3_577 4_576 ?
O13 W3 O12 100.9(8) . . ?
O13 W3 O19 101.2(8) . . ?
O12 W3 O19 90.1(7) . . ?
O13 W3 O22 103.0(10) . . ?
O12 W3 O22 156.1(9) . . ?
O19 W3 O22 84.9(8) . . ?
O13 W3 O9 104.2(10) . . ?
O12 W3 O9 86.9(8) . . ?
O19 W3 O9 154.5(9) . . ?
O22 W3 O9 87.6(9) . . ?
O13 W3 O1 161.2(12) . . ?
O12 W3 O1 92.7(12) . . ?
O19 W3 O1 91.5(12) . . ?
O22 W3 O1 64.1(13) . . ?
O9 W3 O1 63.4(13) . . ?
O13 W3 O23 159.0(12) . . ?
O12 W3 O23 64.8(11) . . ?
O19 W3 O23 65.2(11) . . ?
O22 W3 O23 92.0(12) . . ?
O9 W3 O23 90.7(13) . . ?
O1 W3 O23 39.7(14) . . ?
O2 W4 O8 101.9(11) . 3_577 ?
O2 W4 O20 104.0(9) . . ?
O8 W4 O20 88.8(8) 3_577 . ?
O2 W4 O5 98.9(11) . . ?
O8 W4 O5 86.4(9) 3_577 . ?
O20 W4 O5 157.1(10) . . ?
O2 W4 O19 103.0(9) . . ?
O8 W4 O19 154.7(10) 3_577 . ?
O20 W4 O19 89.4(7) . . ?
O5 W4 O19 85.5(8) . . ?
O2 W4 O99 158.4(13) . . ?
O8 W4 O99 64.8(13) 3_577 . ?
O20 W4 O99 93.2(12) . . ?
O5 W4 O99 64.6(14) . . ?
O19 W4 O99 90.1(11) . . ?
O2 W4 O23 161.4(12) . . ?
O8 W4 O23 92.0(13) 3_577 . ?
O20 W4 O23 63.6(11) . . ?
O5 W4 O23 94.3(13) . . ?
O19 W4 O23 64.8(11) . . ?
O99 W4 O23 40.2(14) . . ?
O21 W5 O9 104.4(9) . . ?
O21 W5 O15 103.4(8) . . ?
O9 W5 O15 88.0(10) . . ?
O21 W5 O16 100.2(9) . . ?
O9 W5 O16 89.3(9) . . ?
O15 W5 O16 156.2(9) . . ?
O21 W5 O8 102.0(9) . . ?
O9 W5 O8 153.6(10) . . ?
O15 W5 O8 86.0(8) . . ?
O16 W5 O8 85.9(10) . . ?
O21 W5 O1 157.9(11) . . ?
O9 W5 O1 60.1(12) . . ?
O15 W5 O1 92.3(12) . . ?
O16 W5 O1 66.0(12) . . ?
O8 W5 O1 94.4(12) . . ?
O21 W5 O99 157.6(11) . 3_577 ?
O9 W5 O99 94.0(12) . 3_577 ?
O15 W5 O99 64.1(11) . 3_577 ?
O16 W5 O99 92.6(12) . 3_577 ?
O8 W5 O99 60.4(12) . 3_577 ?
O1 W5 O99 44.4(14) . 3_577 ?
O10 W6 O22 103.0(10) . . ?
O10 W6 O7 102.9(9) . . ?
O22 W6 O7 154.1(10) . . ?
O10 W6 O11 100.1(9) . . ?
O22 W6 O11 87.6(9) . . ?
O7 W6 O11 86.9(8) . . ?
O10 W6 O16 103.2(9) . . ?
O22 W6 O16 90.6(9) . . ?
O7 W6 O16 84.5(9) . . ?
O11 W6 O16 156.5(9) . . ?
O10 W6 O1 158.7(11) . . ?
O22 W6 O1 60.6(12) . . ?
O7 W6 O1 94.4(12) . . ?
O11 W6 O1 93.0(12) . . ?
O16 W6 O1 65.9(11) . . ?
N4 K1 C8 87.0(7) . 4_676 ?
N4 K1 C12 88.6(8) . 4_676 ?
C8 K1 C12 28.5(7) 4_676 4_676 ?
N4 K1 O98 132.8(6) . 4_575 ?
C8 K1 O98 83.6(6) 4_676 4_575 ?
C12 K1 O98 103.3(7) 4_676 4_575 ?
N4 K1 O2 115.1(6) . 4_675 ?
C8 K1 O2 95.5(6) 4_676 4_675 ?
C12 K1 O2 69.2(6) 4_676 4_675 ?
O98 K1 O2 111.7(6) 4_575 4_675 ?
N4 K1 C11 88.3(8) . 1_655 ?
C8 K1 C11 159.7(7) 4_676 1_655 ?
C12 K1 C11 170.8(8) 4_676 1_655 ?
O98 K1 C11 85.1(7) 4_575 1_655 ?
O2 K1 C11 104.4(7) 4_675 1_655 ?
N4 K1 C7 88.3(7) . 1_655 ?
C8 K1 C7 170.8(7) 4_676 1_655 ?
C12 K1 C7 143.4(7) 4_676 1_655 ?
O98 K1 C7 105.4(7) 4_575 1_655 ?
O2 K1 C7 79.3(6) 4_675 1_655 ?
C11 K1 C7 27.8(7) 1_655 1_655 ?
N4 K1 N6 22.8(5) . . ?
C8 K1 N6 99.1(6) 4_676 . ?
C12 K1 N6 90.1(7) 4_676 . ?
O98 K1 N6 153.2(5) 4_575 . ?
O2 K1 N6 94.6(5) 4_675 . ?
C11 K1 N6 83.7(7) 1_655 . ?
C7 K1 N6 73.9(6) 1_655 . ?
N4 K1 O14 80.3(5) . 4_575 ?
C8 K1 O14 65.6(6) 4_676 4_575 ?
C12 K1 O14 93.9(6) 4_676 4_575 ?
O98 K1 O14 53.8(5) 4_575 4_575 ?
O2 K1 O14 155.9(5) 4_675 4_575 ?
C11 K1 O14 94.1(6) 1_655 4_575 ?
C7 K1 O14 121.4(6) 1_655 4_575 ?
N6 K1 O14 102.8(5) . 4_575 ?
N4 K1 O18 154.1(6) . 4_575 ?
C8 K1 O18 118.5(6) 4_676 4_575 ?
C12 K1 O18 115.8(7) 4_676 4_575 ?
O98 K1 O18 53.2(5) 4_575 4_575 ?
O2 K1 O18 69.5(5) 4_675 4_575 ?
C11 K1 O18 66.2(7) 1_655 4_575 ?
C7 K1 O18 67.0(6) 1_655 4_575 ?
N6 K1 O18 139.8(5) . 4_575 ?
O14 K1 O18 105.2(4) 4_575 4_575 ?
N4 K1 N2 16.9(5) . . ?
C8 K1 N2 89.0(6) 4_676 . ?
C12 K1 N2 98.2(7) 4_676 . ?
O98 K1 N2 116.6(5) 4_575 . ?
O2 K1 N2 131.6(6) 4_675 . ?
C11 K1 N2 81.0(7) 1_655 . ?
C7 K1 N2 88.8(6) 1_655 . ?
N6 K1 N2 37.4(4) . . ?
O14 K1 N2 65.9(4) 4_575 . ?
O18 K1 N2 145.7(5) 4_575 . ?
N4 K1 Ag3 60.2(4) . 4_676 ?
C8 K1 Ag3 99.9(5) 4_676 4_676 ?
C12 K1 Ag3 76.0(6) 4_676 4_676 ?
O98 K1 Ag3 166.9(4) 4_575 4_676 ?
O2 K1 Ag3 55.5(4) 4_675 4_676 ?
C11 K1 Ag3 94.9(5) 1_655 4_676 ?
C7 K1 Ag3 70.8(5) 1_655 4_676 ?
N6 K1 Ag3 39.1(3) . 4_676 ?
O14 K1 Ag3 139.1(3) 4_575 4_676 ?
O18 K1 Ag3 114.9(3) 4_575 4_676 ?
N2 K1 Ag3 76.2(3) . 4_676 ?
C7 C5 C12 116(2) . . ?
C7 C5 C2 123(2) . . ?
C12 C5 C2 121(2) . . ?
C8 C12 C5 123(2) . . ?
C8 C12 K1 75.6(15) . 4_475 ?
C5 C12 K1 116.8(19) . 4_475 ?
C5 C7 C11 121(2) . . ?
C5 C7 K1 120.4(18) . 1_455 ?
C11 C7 K1 69.6(17) . 1_455 ?
C12 C8 N7 120(2) . . ?
C12 C8 K1 75.9(16) . 4_475 ?
N7 C8 K1 116.4(15) . 4_475 ?
N7 C11 C7 121(2) . . ?
N7 C11 K1 111(2) . 1_455 ?
C7 C11 K1 82.6(17) . 1_455 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         3.537
_refine_diff_density_min         -3.310
_refine_diff_density_rms         0.505
_database_code_depnum_ccdc_archive 'CCDC 840486'