# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2012


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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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#  fide research purposes only. It may contain copyright material 
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data_p1
_database_code_depnum_ccdc_archive 'CCDC 886792'
#TrackingRef 'web_deposit_cif_file_0_DiSun_1339915498.p1-3.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C10 H8 Ag N3 O3, 3(C10 H8 Ag N2), C7 H6 N2, 3(N O3), 6(H2 O)'
_chemical_formula_sum            'C47 H50 Ag4 N14 O18'
_chemical_formula_weight         1530.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   p-1

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

_cell_length_a                   11.328(2)
_cell_length_b                   13.975(3)
_cell_length_c                   18.270(3)
_cell_angle_alpha                106.019(4)
_cell_angle_beta                 100.171(4)
_cell_angle_gamma                102.572(3)
_cell_volume                     2625.6(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.936
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1524
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5743
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(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            13452
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.20
_diffrn_reflns_theta_max         25.00
_reflns_number_total             9130
_reflns_number_gt                7503
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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.
;

_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^)+(0.0365P)^2^+2.4051P] 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         9130
_refine_ls_number_parameters     757
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0661
_refine_ls_wR_factor_ref         0.1308
_refine_ls_wR_factor_gt          0.1228
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_restrained_S_all      1.169
_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
Ag1 Ag 1.21873(5) 0.62122(4) 0.47141(3) 0.02370(16) Uani 1 1 d . . .
Ag2 Ag 1.25532(5) 0.86248(4) 0.49018(3) 0.02195(16) Uani 1 1 d . . .
Ag3 Ag 0.26087(5) 0.62977(5) 0.99269(4) 0.02585(16) Uani 1 1 d . . .
Ag4 Ag 0.30673(5) 0.87270(4) 1.02031(3) 0.02367(16) Uani 1 1 d . . .
C1 C 0.9952(7) 0.6520(5) 0.5367(4) 0.0213(17) Uani 1 1 d . . .
H1 H 1.0599 0.6882 0.5835 0.026 Uiso 1 1 calc R . .
C2 C 0.8757(6) 0.6521(6) 0.5390(4) 0.0187(16) Uani 1 1 d . . .
H2 H 0.8592 0.6874 0.5869 0.022 Uiso 1 1 calc R . .
C3 C 0.7775(6) 0.6009(5) 0.4719(4) 0.0156(15) Uani 1 1 d . . .
C4 C 0.8093(7) 0.5466(5) 0.4054(4) 0.0195(16) Uani 1 1 d . . .
H4 H 0.7458 0.5072 0.3586 0.023 Uiso 1 1 calc R . .
C5 C 0.9317(7) 0.5497(5) 0.4072(4) 0.0202(16) Uani 1 1 d . . .
H5 H 0.9506 0.5123 0.3609 0.024 Uiso 1 1 calc R . .
C6 C 0.4903(6) 0.6322(5) 0.5398(4) 0.0183(16) Uani 1 1 d . . .
H6 H 0.4644 0.6446 0.5874 0.022 Uiso 1 1 calc R . .
C7 C 0.6089(7) 0.6248(5) 0.5416(4) 0.0197(16) Uani 1 1 d . . .
H7 H 0.6633 0.6307 0.5896 0.024 Uiso 1 1 calc R . .
C8 C 0.6506(6) 0.6084(5) 0.4719(4) 0.0147(15) Uani 1 1 d . . .
C9 C 0.5633(6) 0.5977(5) 0.4036(4) 0.0187(16) Uani 1 1 d . . .
H9 H 0.5854 0.5847 0.3548 0.022 Uiso 1 1 calc R . .
C10 C 0.4472(7) 0.6058(6) 0.4069(4) 0.0227(17) Uani 1 1 d . . .
H10 H 0.3905 0.5990 0.3596 0.027 Uiso 1 1 calc R . .
C11 C 1.0405(7) 0.9164(5) 0.5536(4) 0.0185(16) Uani 1 1 d . . .
H11 H 1.1068 0.9511 0.5997 0.022 Uiso 1 1 calc R . .
C12 C 0.9218(6) 0.9240(5) 0.5567(4) 0.0168(16) Uani 1 1 d . . .
H12 H 0.9075 0.9629 0.6042 0.020 Uiso 1 1 calc R . .
C13 C 0.8231(7) 0.8742(5) 0.4895(4) 0.0167(16) Uani 1 1 d . . .
C14 C 0.8515(6) 0.8173(5) 0.4222(4) 0.0175(16) Uani 1 1 d . . .
H14 H 0.7868 0.7805 0.3755 0.021 Uiso 1 1 calc R . .
C15 C 0.9718(6) 0.8142(5) 0.4230(4) 0.0186(16) Uani 1 1 d . . .
H15 H 0.9890 0.7770 0.3760 0.022 Uiso 1 1 calc R . .
C16 C 0.5339(7) 0.8968(6) 0.5588(4) 0.0208(17) Uani 1 1 d . . .
H16 H 0.5098 0.9116 0.6070 0.025 Uiso 1 1 calc R . .
C17 C 0.6570(7) 0.8994(6) 0.5614(4) 0.0207(17) Uani 1 1 d . . .
H17 H 0.7161 0.9167 0.6102 0.025 Uiso 1 1 calc R . .
C18 C 0.6929(7) 0.8761(6) 0.4905(5) 0.0265(19) Uani 1 1 d . . .
C19 C 0.6040(6) 0.8606(5) 0.4226(4) 0.0162(15) Uani 1 1 d . . .
H19 H 0.6264 0.8512 0.3739 0.019 Uiso 1 1 calc R . .
C20 C 0.4830(7) 0.8589(5) 0.4257(4) 0.0209(17) Uani 1 1 d . . .
H20 H 0.4227 0.8458 0.3782 0.025 Uiso 1 1 calc R . .
C21 C 0.4753(7) 0.5738(6) 0.9325(4) 0.0215(17) Uani 1 1 d . . .
H21 H 0.4096 0.5386 0.8861 0.026 Uiso 1 1 calc R . .
C22 C 0.5952(6) 0.5663(5) 0.9308(4) 0.0192(16) Uani 1 1 d . . .
H22 H 0.6095 0.5250 0.8842 0.023 Uiso 1 1 calc R . .
C23 C 0.6940(6) 0.6186(5) 0.9967(4) 0.0142(15) Uani 1 1 d . . .
C24 C 0.6659(7) 0.6761(5) 1.0633(4) 0.0178(16) Uani 1 1 d . . .
H24 H 0.7303 0.7129 1.1101 0.021 Uiso 1 1 calc R . .
C25 C 0.5439(6) 0.6799(5) 1.0615(4) 0.0182(16) Uani 1 1 d . . .
H25 H 0.5266 0.7198 1.1075 0.022 Uiso 1 1 calc R . .
C26 C 0.9792(7) 0.5805(6) 0.9276(4) 0.0212(17) Uani 1 1 d . . .
H26 H 0.9997 0.5545 0.8791 0.025 Uiso 1 1 calc R . .
C27 C 0.8565(6) 0.5762(5) 0.9260(4) 0.0171(16) Uani 1 1 d . . .
H27 H 0.7946 0.5474 0.8773 0.021 Uiso 1 1 calc R . .
C28 C 0.8226(6) 0.6146(5) 0.9966(4) 0.0158(15) Uani 1 1 d . . .
C29 C 0.9188(6) 0.6521(5) 1.0656(4) 0.0196(16) Uani 1 1 d . . .
H29 H 0.9010 0.6772 1.1152 0.023 Uiso 1 1 calc R . .
C30 C 1.0390(7) 0.6526(6) 1.0619(4) 0.0236(17) Uani 1 1 d . . .
H30 H 1.1023 0.6777 1.1098 0.028 Uiso 1 1 calc R . .
C31 C 0.5279(6) 0.8383(6) 0.9528(4) 0.0186(16) Uani 1 1 d . . .
H31 H 0.4624 0.7994 0.9069 0.022 Uiso 1 1 calc R . .
C32 C 0.6481(7) 0.8384(5) 0.9507(4) 0.0216(17) Uani 1 1 d . . .
H32 H 0.6641 0.7992 0.9039 0.026 Uiso 1 1 calc R . .
C33 C 0.7472(6) 0.8955(5) 1.0165(4) 0.0138(15) Uani 1 1 d . . .
C34 C 0.7157(7) 0.9540(5) 1.0825(4) 0.0187(16) Uani 1 1 d . . .
H34 H 0.7795 0.9966 1.1283 0.022 Uiso 1 1 calc R . .
C35 C 0.5922(6) 0.9493(5) 1.0807(4) 0.0196(16) Uani 1 1 d . . .
H35 H 0.5726 0.9886 1.1260 0.023 Uiso 1 1 calc R . .
C36 C 1.0334(6) 0.8517(6) 0.9528(4) 0.0213(17) Uani 1 1 d . . .
H36 H 1.0563 0.8289 0.9047 0.026 Uiso 1 1 calc R . .
C37 C 0.9128(7) 0.8582(5) 0.9499(4) 0.0181(16) Uani 1 1 d . . .
H37 H 0.8547 0.8396 0.9004 0.022 Uiso 1 1 calc R . .
C38 C 0.8769(6) 0.8915(5) 1.0183(4) 0.0177(16) Uani 1 1 d . . .
C39 C 0.9665(7) 0.9161(5) 1.0891(4) 0.0205(17) Uani 1 1 d . . .
H39 H 0.9461 0.9394 1.1380 0.025 Uiso 1 1 calc R . .
C40 C 1.0820(7) 0.9066(5) 1.0871(4) 0.0180(16) Uani 1 1 d . . .
H40 H 1.1409 0.9223 1.1358 0.022 Uiso 1 1 calc R . .
C41 C 0.6884(8) 0.7977(6) 0.7457(4) 0.0297(19) Uani 1 1 d . . .
C42 C 0.8089(9) 0.8495(6) 0.7440(4) 0.033(2) Uani 1 1 d . . .
H42 H 0.8256 0.9187 0.7429 0.040 Uiso 1 1 calc R . .
C43 C 0.9030(8) 0.8013(7) 0.7438(4) 0.039(2) Uani 1 1 d . . .
H43 H 0.9835 0.8379 0.7427 0.046 Uiso 1 1 calc R . .
C44 C 0.8817(8) 0.6995(7) 0.7452(4) 0.035(2) Uani 1 1 d . . .
H44 H 0.9471 0.6671 0.7454 0.042 Uiso 1 1 calc R . .
C45 C 0.7641(7) 0.6470(6) 0.7461(4) 0.0251(18) Uani 1 1 d . . .
H45 H 0.7476 0.5773 0.7458 0.030 Uiso 1 1 calc R . .
C46 C 0.6693(7) 0.6962(6) 0.7476(4) 0.0256(18) Uani 1 1 d . . .
C47 C 0.5476(8) 0.6438(6) 0.7530(4) 0.0241(18) Uani 1 1 d . . .
N1 N 1.0262(5) 0.6034(5) 0.4715(3) 0.0205(14) Uani 1 1 d . . .
N2 N 0.4081(5) 0.6226(4) 0.4727(3) 0.0176(13) Uani 1 1 d . . .
N3 N 1.0664(5) 0.8619(4) 0.4881(3) 0.0188(14) Uani 1 1 d . . .
N4 N 0.4468(5) 0.8749(4) 0.4927(3) 0.0192(14) Uani 1 1 d . . .
N5 N 0.4493(5) 0.6285(5) 0.9966(3) 0.0201(14) Uani 1 1 d . . .
N6 N 1.0720(5) 0.6196(4) 0.9940(4) 0.0201(14) Uani 1 1 d . . .
N7 N 0.4992(5) 0.8911(4) 1.0171(3) 0.0197(14) Uani 1 1 d . . .
N8 N 1.1188(5) 0.8761(4) 1.0200(3) 0.0178(13) Uani 1 1 d . . .
N9 N 0.5967(7) 0.8453(5) 0.7452(4) 0.042(2) Uani 1 1 d . . .
H9A H 0.5216 0.8124 0.7461 0.051 Uiso 1 1 calc R . .
H9B H 0.6120 0.9093 0.7439 0.051 Uiso 1 1 calc R . .
N10 N 0.4524(7) 0.6043(6) 0.7575(4) 0.0371(18) Uani 1 1 d . . .
N11 N 0.1785(6) 0.1159(5) 0.7533(3) 0.0241(15) Uani 1 1 d . . .
N12 N 0.6155(6) 0.1351(6) 0.7994(4) 0.0271(16) Uani 1 1 d . . .
N13 N 0.2133(6) 0.7284(6) 0.8059(4) 0.0336(17) Uani 1 1 d . . .
N14 N 0.1308(6) 0.6440(5) 0.2934(4) 0.0244(15) Uani 1 1 d . . .
O1 O 0.1288(5) 0.0206(4) 0.7376(3) 0.0299(13) Uani 1 1 d . . .
O2 O 0.1164(5) 0.1796(4) 0.7657(3) 0.0304(13) Uani 1 1 d . . .
O3 O 0.2918(5) 0.1484(4) 0.7568(3) 0.0321(13) Uani 1 1 d . . .
O4 O 0.6250(5) 0.0598(4) 0.8228(3) 0.0332(14) Uani 1 1 d . . .
O5 O 0.5519(5) 0.1178(5) 0.7321(3) 0.0413(16) Uani 1 1 d . . .
O6 O 0.6663(5) 0.2251(4) 0.8436(3) 0.0394(15) Uani 1 1 d . . .
O7 O 0.2118(6) 0.7144(5) 0.8700(3) 0.0442(16) Uani 1 1 d . . .
O8 O 0.1816(5) 0.6534(4) 0.7438(3) 0.0384(15) Uani 1 1 d . . .
O9A O 0.2107(18) 0.8153(18) 0.8003(17) 0.056(5) Uani 0.50 1 d PU . .
O9B O 0.2792(18) 0.8148(18) 0.8072(17) 0.066(6) Uani 0.50 1 d PU . .
O10 O 0.2092(5) 0.7219(5) 0.3434(3) 0.0456(17) Uani 1 1 d . . .
O11 O 0.0551(5) 0.6543(5) 0.2400(3) 0.0440(17) Uani 1 1 d . . .
O12 O 0.1282(5) 0.5570(5) 0.2983(4) 0.0425(16) Uani 1 1 d . . .
O1W O 0.1493(5) 0.9051(4) 0.2840(3) 0.0405(15) Uani 1 1 d . . .
H1WA H 0.0701 0.8852 0.2679 0.049 Uiso 1 1 d R . .
H1WB H 0.1727 0.8596 0.3009 0.049 Uiso 1 1 d R . .
O2W O 0.6081(5) 0.3884(4) 0.7740(3) 0.0348(14) Uani 1 1 d . . .
H2WA H 0.6267 0.3434 0.7935 0.042 Uiso 1 1 d R . .
H2WB H 0.5299 0.3804 0.7672 0.042 Uiso 1 1 d R . .
O3W O 0.6533(5) 0.6433(4) 0.2475(3) 0.0297(13) Uani 1 1 d . . .
H3WA H 0.6741 0.7042 0.2448 0.036 Uiso 1 1 d R . .
H3WB H 0.7035 0.6110 0.2303 0.036 Uiso 1 1 d R . .
O4W O 0.8089(5) 0.5224(4) 0.1918(3) 0.0352(14) Uani 1 1 d . . .
H4WA H 0.8101 0.4723 0.2095 0.042 Uiso 1 1 d R . .
H4WB H 0.8825 0.5630 0.2058 0.042 Uiso 1 1 d R . .
O5W O 0.3054(5) 0.7309(4) 0.6382(3) 0.0365(14) Uani 1 1 d . . .
H5WA H 0.2689 0.7085 0.6695 0.044 Uiso 1 1 d R . .
H5WB H 0.3132 0.7955 0.6498 0.044 Uiso 1 1 d R . .
O6W O 0.3320(5) 0.9431(4) 0.6750(3) 0.0337(14) Uani 1 1 d . . .
H6WA H 0.3978 0.9939 0.6914 0.040 Uiso 1 1 d R . .
H6WB H 0.2739 0.9639 0.6923 0.040 Uiso 1 1 d 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
Ag1 0.0127(3) 0.0265(4) 0.0352(4) 0.0109(3) 0.0086(3) 0.0093(3)
Ag2 0.0107(3) 0.0261(3) 0.0306(3) 0.0093(3) 0.0061(2) 0.0077(2)
Ag3 0.0111(3) 0.0289(4) 0.0421(4) 0.0145(3) 0.0090(3) 0.0092(3)
Ag4 0.0124(3) 0.0281(4) 0.0330(3) 0.0101(3) 0.0073(3) 0.0092(3)
C1 0.021(4) 0.020(4) 0.020(4) 0.003(3) 0.001(3) 0.008(3)
C2 0.018(4) 0.030(4) 0.018(4) 0.013(3) 0.014(3) 0.010(3)
C3 0.007(4) 0.021(4) 0.019(4) 0.012(3) -0.003(3) 0.003(3)
C4 0.016(4) 0.019(4) 0.019(4) 0.003(3) -0.001(3) 0.005(3)
C5 0.025(4) 0.018(4) 0.019(4) 0.006(3) 0.007(3) 0.008(3)
C6 0.019(4) 0.020(4) 0.017(4) 0.006(3) 0.005(3) 0.007(3)
C7 0.020(4) 0.019(4) 0.017(4) 0.003(3) 0.000(3) 0.007(3)
C8 0.010(4) 0.013(4) 0.020(4) 0.002(3) 0.006(3) 0.002(3)
C9 0.018(4) 0.017(4) 0.019(4) 0.004(3) 0.003(3) 0.003(3)
C10 0.023(4) 0.024(4) 0.021(4) 0.010(3) 0.000(3) 0.007(3)
C11 0.015(4) 0.021(4) 0.019(4) 0.008(3) 0.002(3) 0.003(3)
C12 0.023(4) 0.019(4) 0.014(4) 0.010(3) 0.007(3) 0.010(3)
C13 0.019(4) 0.010(4) 0.020(4) 0.007(3) 0.001(3) 0.002(3)
C14 0.015(4) 0.013(4) 0.021(4) 0.005(3) 0.002(3) 0.001(3)
C15 0.017(4) 0.019(4) 0.019(4) 0.004(3) 0.008(3) 0.005(3)
C16 0.020(4) 0.025(4) 0.021(4) 0.010(3) 0.011(3) 0.007(3)
C17 0.013(4) 0.034(5) 0.013(4) 0.007(3) 0.004(3) 0.004(3)
C18 0.025(5) 0.013(4) 0.039(5) 0.011(3) 0.000(4) 0.004(3)
C19 0.013(4) 0.019(4) 0.022(4) 0.009(3) 0.010(3) 0.008(3)
C20 0.017(4) 0.018(4) 0.027(4) 0.008(3) 0.001(3) 0.005(3)
C21 0.013(4) 0.023(4) 0.030(4) 0.012(3) 0.003(3) 0.008(3)
C22 0.014(4) 0.019(4) 0.024(4) 0.005(3) 0.003(3) 0.007(3)
C23 0.017(4) 0.011(4) 0.016(4) 0.009(3) 0.005(3) 0.002(3)
C24 0.017(4) 0.015(4) 0.020(4) 0.006(3) 0.002(3) 0.004(3)
C25 0.016(4) 0.019(4) 0.026(4) 0.011(3) 0.008(3) 0.010(3)
C26 0.018(4) 0.024(4) 0.026(4) 0.007(3) 0.013(3) 0.010(3)
C27 0.015(4) 0.021(4) 0.017(4) 0.008(3) 0.003(3) 0.007(3)
C28 0.016(4) 0.011(4) 0.020(4) 0.008(3) 0.002(3) 0.003(3)
C29 0.012(4) 0.022(4) 0.024(4) 0.012(3) -0.004(3) 0.004(3)
C30 0.016(4) 0.028(5) 0.026(4) 0.010(3) 0.003(3) 0.006(3)
C31 0.008(4) 0.026(4) 0.021(4) 0.010(3) 0.004(3) 0.001(3)
C32 0.029(5) 0.018(4) 0.019(4) 0.005(3) 0.005(3) 0.013(3)
C33 0.010(4) 0.010(4) 0.023(4) 0.008(3) 0.006(3) 0.002(3)
C34 0.016(4) 0.017(4) 0.021(4) 0.003(3) 0.005(3) 0.006(3)
C35 0.016(4) 0.017(4) 0.023(4) 0.003(3) 0.009(3) 0.001(3)
C36 0.015(4) 0.025(4) 0.024(4) 0.006(3) 0.007(3) 0.007(3)
C37 0.016(4) 0.015(4) 0.023(4) 0.006(3) 0.004(3) 0.005(3)
C38 0.013(4) 0.015(4) 0.024(4) 0.006(3) 0.006(3) 0.002(3)
C39 0.027(4) 0.011(4) 0.022(4) 0.002(3) 0.007(3) 0.004(3)
C40 0.016(4) 0.013(4) 0.028(4) 0.013(3) 0.003(3) 0.004(3)
C41 0.035(5) 0.032(5) 0.014(4) 0.003(3) -0.003(3) 0.006(4)
C42 0.056(6) 0.024(5) 0.009(4) 0.003(3) -0.006(4) 0.004(4)
C43 0.035(5) 0.049(6) 0.013(4) 0.000(4) -0.002(4) -0.006(5)
C44 0.034(5) 0.050(6) 0.019(4) 0.004(4) 0.005(4) 0.017(4)
C45 0.028(5) 0.029(5) 0.011(4) 0.000(3) 0.000(3) 0.006(4)
C46 0.030(5) 0.024(5) 0.015(4) 0.003(3) -0.002(3) 0.003(4)
C47 0.029(5) 0.019(4) 0.015(4) -0.001(3) -0.005(3) 0.006(4)
N1 0.015(3) 0.031(4) 0.023(3) 0.013(3) 0.007(3) 0.014(3)
N2 0.015(3) 0.017(3) 0.019(3) 0.003(3) 0.003(3) 0.005(3)
N3 0.015(3) 0.019(3) 0.022(3) 0.007(3) 0.002(3) 0.008(3)
N4 0.012(3) 0.019(3) 0.030(4) 0.006(3) 0.011(3) 0.010(3)
N5 0.011(3) 0.022(4) 0.030(4) 0.013(3) 0.007(3) 0.003(3)
N6 0.014(3) 0.015(3) 0.036(4) 0.015(3) 0.008(3) 0.006(3)
N7 0.014(3) 0.020(4) 0.025(3) 0.011(3) 0.005(3) 0.001(3)
N8 0.011(3) 0.017(3) 0.026(3) 0.008(3) 0.003(3) 0.005(3)
N9 0.050(5) 0.025(4) 0.046(5) 0.013(3) -0.002(4) 0.008(4)
N10 0.032(4) 0.041(5) 0.030(4) 0.011(3) -0.002(3) 0.003(4)
N11 0.027(4) 0.030(4) 0.017(3) 0.006(3) 0.005(3) 0.015(3)
N12 0.013(3) 0.045(5) 0.024(4) 0.009(3) 0.006(3) 0.010(3)
N13 0.033(4) 0.039(5) 0.026(4) 0.008(3) 0.007(3) 0.009(4)
N14 0.019(4) 0.036(4) 0.022(4) 0.009(3) 0.012(3) 0.009(3)
O1 0.037(3) 0.019(3) 0.025(3) 0.003(2) 0.006(3) -0.003(3)
O2 0.026(3) 0.028(3) 0.032(3) 0.000(2) 0.002(2) 0.013(3)
O3 0.029(3) 0.030(3) 0.041(3) 0.010(3) 0.019(3) 0.009(3)
O4 0.037(4) 0.039(4) 0.028(3) 0.012(3) 0.008(3) 0.017(3)
O5 0.037(4) 0.051(4) 0.025(3) 0.015(3) -0.010(3) 0.002(3)
O6 0.036(4) 0.027(4) 0.039(3) -0.007(3) 0.004(3) 0.001(3)
O7 0.037(4) 0.064(5) 0.032(3) 0.016(3) 0.009(3) 0.012(3)
O8 0.041(4) 0.024(3) 0.032(3) -0.011(3) 0.008(3) 0.000(3)
O9A 0.086(16) 0.012(6) 0.079(9) 0.015(6) 0.039(14) 0.014(11)
O9B 0.100(17) 0.012(6) 0.080(8) 0.020(5) 0.020(15) -0.001(12)
O10 0.017(3) 0.059(4) 0.035(3) -0.011(3) 0.002(3) -0.003(3)
O11 0.033(4) 0.047(4) 0.041(4) 0.021(3) -0.014(3) 0.000(3)
O12 0.040(4) 0.039(4) 0.066(4) 0.035(3) 0.021(3) 0.018(3)
O1W 0.030(3) 0.035(4) 0.050(4) 0.009(3) 0.002(3) 0.007(3)
O2W 0.035(3) 0.034(4) 0.032(3) 0.010(3) 0.002(3) 0.009(3)
O3W 0.037(3) 0.024(3) 0.030(3) 0.012(2) 0.011(3) 0.007(3)
O4W 0.021(3) 0.029(3) 0.047(4) 0.016(3) -0.004(3) -0.004(3)
O5W 0.040(4) 0.033(4) 0.044(3) 0.015(3) 0.026(3) 0.011(3)
O6W 0.028(3) 0.030(3) 0.045(3) 0.007(3) 0.015(3) 0.012(3)

_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
Ag1 N2 2.137(6) 1_655 ?
Ag1 N1 2.141(6) . ?
Ag1 Ag2 3.2187(10) . ?
Ag2 N4 2.130(6) 1_655 ?
Ag2 N3 2.132(6) . ?
Ag3 N6 2.119(6) 1_455 ?
Ag3 N5 2.127(6) . ?
Ag3 Ag4 3.2006(11) . ?
Ag4 N8 2.138(6) 1_455 ?
Ag4 N7 2.152(6) . ?
C1 N1 1.346(9) . ?
C1 C2 1.361(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.394(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.395(10) . ?
C3 C8 1.463(9) . ?
C4 C5 1.373(10) . ?
C4 H4 0.9500 . ?
C5 N1 1.345(8) . ?
C5 H5 0.9500 . ?
C6 N2 1.357(8) . ?
C6 C7 1.365(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.413(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.397(9) . ?
C9 C10 1.354(10) . ?
C9 H9 0.9500 . ?
C10 N2 1.332(9) . ?
C10 H10 0.9500 . ?
C11 N3 1.348(9) . ?
C11 C12 1.381(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.396(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.399(9) . ?
C13 C18 1.484(10) . ?
C14 C15 1.371(10) . ?
C14 H14 0.9500 . ?
C15 N3 1.344(8) . ?
C15 H15 0.9500 . ?
C16 N4 1.329(8) . ?
C16 C17 1.379(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.400(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(9) . ?
C19 C20 1.377(10) . ?
C19 H19 0.9500 . ?
C20 N4 1.335(9) . ?
C20 H20 0.9500 . ?
C21 N5 1.330(9) . ?
C21 C22 1.390(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(9) . ?
C23 C28 1.470(10) . ?
C24 C25 1.389(9) . ?
C24 H24 0.9500 . ?
C25 N5 1.348(9) . ?
C25 H25 0.9500 . ?
C26 N6 1.345(9) . ?
C26 C27 1.373(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.408(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.398(9) . ?
C29 C30 1.374(10) . ?
C29 H29 0.9500 . ?
C30 N6 1.347(9) . ?
C30 H30 0.9500 . ?
C31 N7 1.337(9) . ?
C31 C32 1.369(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.396(9) . ?
C32 H32 0.9500 . ?
C33 C34 1.408(9) . ?
C33 C38 1.478(9) . ?
C34 C35 1.380(10) . ?
C34 H34 0.9500 . ?
C35 N7 1.340(8) . ?
C35 H35 0.9500 . ?
C36 N8 1.329(8) . ?
C36 C37 1.381(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.373(9) . ?
C37 H37 0.9500 . ?
C38 C39 1.400(9) . ?
C39 C40 1.349(10) . ?
C39 H39 0.9500 . ?
C40 N8 1.353(9) . ?
C40 H40 0.9500 . ?
C41 N9 1.350(10) . ?
C41 C46 1.400(11) . ?
C41 C42 1.409(12) . ?
C42 C43 1.378(12) . ?
C42 H42 0.9500 . ?
C43 C44 1.398(12) . ?
C43 H43 0.9500 . ?
C44 C45 1.379(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.395(11) . ?
C45 H45 0.9500 . ?
C46 C47 1.447(11) . ?
C47 N10 1.128(10) . ?
N2 Ag1 2.137(6) 1_455 ?
N4 Ag2 2.130(6) 1_455 ?
N6 Ag3 2.119(6) 1_655 ?
N8 Ag4 2.138(6) 1_655 ?
N9 H9A 0.8800 . ?
N9 H9B 0.8800 . ?
N11 O2 1.247(8) . ?
N11 O3 1.249(8) . ?
N11 O1 1.257(8) . ?
N12 O6 1.235(8) . ?
N12 O5 1.239(7) . ?
N12 O4 1.258(8) . ?
N13 O7 1.243(8) . ?
N13 O8 1.246(8) . ?
N13 O9A 1.25(2) . ?
N13 O9B 1.27(2) . ?
N14 O12 1.239(8) . ?
N14 O11 1.241(8) . ?
N14 O10 1.246(7) . ?
O9A O9B 0.77(3) . ?
O1W H1WA 0.8499 . ?
O1W H1WB 0.8500 . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8500 . ?
O3W H3WA 0.8501 . ?
O3W H3WB 0.8499 . ?
O4W H4WA 0.8500 . ?
O4W H4WB 0.8500 . ?
O5W H5WA 0.8501 . ?
O5W H5WB 0.8499 . ?
O6W H6WA 0.8501 . ?
O6W H6WB 0.8498 . ?

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
N2 Ag1 N1 173.7(2) 1_655 . ?
N2 Ag1 Ag2 96.42(15) 1_655 . ?
N1 Ag1 Ag2 89.72(16) . . ?
N4 Ag2 N3 175.7(2) 1_655 . ?
N4 Ag2 Ag1 87.47(16) 1_655 . ?
N3 Ag2 Ag1 96.78(16) . . ?
N6 Ag3 N5 174.4(2) 1_455 . ?
N6 Ag3 Ag4 88.32(15) 1_455 . ?
N5 Ag3 Ag4 96.32(16) . . ?
N8 Ag4 N7 171.4(2) 1_455 . ?
N8 Ag4 Ag3 96.77(15) 1_455 . ?
N7 Ag4 Ag3 91.37(16) . . ?
N1 C1 C2 123.3(7) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 120.7(6) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C2 C3 C4 115.8(6) . . ?
C2 C3 C8 121.0(6) . . ?
C4 C3 C8 123.1(6) . . ?
C5 C4 C3 120.5(6) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
N1 C5 C4 122.9(7) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
N2 C6 C7 122.5(6) . . ?
N2 C6 H6 118.7 . . ?
C7 C6 H6 118.7 . . ?
C6 C7 C8 119.9(6) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C9 C8 C7 116.1(6) . . ?
C9 C8 C3 122.6(6) . . ?
C7 C8 C3 121.2(6) . . ?
C10 C9 C8 120.3(6) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
N2 C10 C9 123.7(7) . . ?
N2 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
N3 C11 C12 123.0(6) . . ?
N3 C11 H11 118.5 . . ?
C12 C11 H11 118.5 . . ?
C11 C12 C13 119.4(6) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C12 C13 C14 116.8(7) . . ?
C12 C13 C18 121.6(6) . . ?
C14 C13 C18 121.5(6) . . ?
C15 C14 C13 120.6(7) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
N3 C15 C14 122.3(6) . . ?
N3 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
N4 C16 C17 123.8(6) . . ?
N4 C16 H16 118.1 . . ?
C17 C16 H16 118.1 . . ?
C16 C17 C18 118.6(7) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 120.7 . . ?
C19 C18 C17 117.1(7) . . ?
C19 C18 C13 121.8(7) . . ?
C17 C18 C13 121.0(7) . . ?
C20 C19 C18 119.9(7) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
N4 C20 C19 122.7(7) . . ?
N4 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
N5 C21 C22 122.4(7) . . ?
N5 C21 H21 118.8 . . ?
C22 C21 H21 118.8 . . ?
C23 C22 C21 120.4(7) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 116.7(7) . . ?
C22 C23 C28 122.0(6) . . ?
C24 C23 C28 121.3(6) . . ?
C25 C24 C23 120.2(7) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
N5 C25 C24 122.1(6) . . ?
N5 C25 H25 119.0 . . ?
C24 C25 H25 119.0 . . ?
N6 C26 C27 123.6(7) . . ?
N6 C26 H26 118.2 . . ?
C27 C26 H26 118.2 . . ?
C26 C27 C28 119.8(7) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C29 C28 C27 116.2(7) . . ?
C29 C28 C23 122.4(6) . . ?
C27 C28 C23 121.4(6) . . ?
C30 C29 C28 120.1(7) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
N6 C30 C29 123.5(7) . . ?
N6 C30 H30 118.2 . . ?
C29 C30 H30 118.2 . . ?
N7 C31 C32 122.5(7) . . ?
N7 C31 H31 118.8 . . ?
C32 C31 H31 118.8 . . ?
C31 C32 C33 120.6(7) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C34 116.1(6) . . ?
C32 C33 C38 122.1(6) . . ?
C34 C33 C38 121.8(6) . . ?
C35 C34 C33 120.1(7) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
N7 C35 C34 122.1(6) . . ?
N7 C35 H35 119.0 . . ?
C34 C35 H35 119.0 . . ?
N8 C36 C37 122.8(7) . . ?
N8 C36 H36 118.6 . . ?
C37 C36 H36 118.6 . . ?
C38 C37 C36 120.1(7) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C37 C38 C39 117.1(7) . . ?
C37 C38 C33 121.0(6) . . ?
C39 C38 C33 121.8(6) . . ?
C40 C39 C38 119.3(7) . . ?
C40 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
C39 C40 N8 123.9(7) . . ?
C39 C40 H40 118.1 . . ?
N8 C40 H40 118.1 . . ?
N9 C41 C46 122.4(8) . . ?
N9 C41 C42 120.6(8) . . ?
C46 C41 C42 117.0(8) . . ?
C43 C42 C41 121.1(8) . . ?
C43 C42 H42 119.5 . . ?
C41 C42 H42 119.5 . . ?
C42 C43 C44 121.0(8) . . ?
C42 C43 H43 119.5 . . ?
C44 C43 H43 119.5 . . ?
C45 C44 C43 119.0(8) . . ?
C45 C44 H44 120.5 . . ?
C43 C44 H44 120.5 . . ?
C44 C45 C46 120.1(8) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 121.8(8) . . ?
C45 C46 C47 120.6(7) . . ?
C41 C46 C47 117.6(7) . . ?
N10 C47 C46 179.0(9) . . ?
C5 N1 C1 116.7(6) . . ?
C5 N1 Ag1 123.1(5) . . ?
C1 N1 Ag1 120.0(5) . . ?
C10 N2 C6 117.4(6) . . ?
C10 N2 Ag1 121.5(5) . 1_455 ?
C6 N2 Ag1 120.9(5) . 1_455 ?
C15 N3 C11 117.8(6) . . ?
C15 N3 Ag2 123.1(5) . . ?
C11 N3 Ag2 119.0(5) . . ?
C16 N4 C20 117.5(6) . . ?
C16 N4 Ag2 122.8(5) . 1_455 ?
C20 N4 Ag2 119.7(5) . 1_455 ?
C21 N5 C25 118.2(6) . . ?
C21 N5 Ag3 118.8(5) . . ?
C25 N5 Ag3 123.0(5) . . ?
C26 N6 C30 116.6(6) . . ?
C26 N6 Ag3 122.0(5) . 1_655 ?
C30 N6 Ag3 121.3(5) . 1_655 ?
C31 N7 C35 118.6(6) . . ?
C31 N7 Ag4 120.2(5) . . ?
C35 N7 Ag4 121.1(5) . . ?
C36 N8 C40 116.8(6) . . ?
C36 N8 Ag4 120.8(5) . 1_655 ?
C40 N8 Ag4 122.4(5) . 1_655 ?
C41 N9 H9A 120.0 . . ?
C41 N9 H9B 120.0 . . ?
H9A N9 H9B 120.0 . . ?
O2 N11 O3 118.8(7) . . ?
O2 N11 O1 121.1(7) . . ?
O3 N11 O1 120.1(6) . . ?
O6 N12 O5 120.5(7) . . ?
O6 N12 O4 120.3(6) . . ?
O5 N12 O4 119.2(7) . . ?
O7 N13 O8 120.6(7) . . ?
O7 N13 O9A 118.7(14) . . ?
O8 N13 O9A 117.5(14) . . ?
O7 N13 O9B 117.6(15) . . ?
O8 N13 O9B 118.8(15) . . ?
O9A N13 O9B 35.4(12) . . ?
O12 N14 O11 120.7(7) . . ?
O12 N14 O10 119.3(7) . . ?
O11 N14 O10 120.0(7) . . ?
O9B O9A N13 73(3) . . ?
O9A O9B N13 71(3) . . ?
H1WA O1W H1WB 108.2 . . ?
H2WA O2W H2WB 108.3 . . ?
H3WA O3W H3WB 108.6 . . ?
H4WA O4W H4WB 108.3 . . ?
H5WA O5W H5WB 108.4 . . ?
H6WA O6W H6WB 108.4 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N9 H9A O5W 0.88 2.65 3.311(9) 132.8 .
N9 H9B O4 0.88 2.15 2.860(9) 136.7 1_565
O1W H1WA O2 0.85 2.02 2.859(8) 171.9 2_566
O1W H1WB O10 0.85 2.35 3.198(9) 172.4 .
O2W H2WA O6 0.85 2.19 3.038(8) 177.6 .
O2W H2WB O3W 0.85 1.99 2.835(8) 177.7 2_666
O3W H3WA O3 0.85 2.02 2.868(7) 173.9 2_666
O3W H3WB O4W 0.85 1.98 2.824(8) 173.6 .
O4W H4WA O8 0.85 2.17 3.016(8) 178.5 2_666
O4W H4WB O11 0.85 1.97 2.820(8) 178.1 1_655
O5W H5WA O8 0.85 2.03 2.882(8) 179.4 .
O5W H5WB O6W 0.85 1.94 2.789(8) 179.1 .
O6W H6WA O5 0.85 2.03 2.878(8) 178.3 1_565
O6W H6WB O1 0.85 2.17 3.019(8) 178.6 1_565

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         1.292
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.136


data_p2
_database_code_depnum_ccdc_archive 'CCDC 886793'
#TrackingRef 'web_deposit_cif_file_0_DiSun_1339915498.p1-3.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C10 H10 Ag N2 O, 2(C10 H8 Ag N2), C7 H6 N2, 3(N O3), H2 O'
_chemical_formula_sum            'C37 H34 Ag3 N11 O11'
_chemical_formula_weight         1132.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   Cc

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

_cell_length_a                   19.314(4)
_cell_length_b                   12.146(2)
_cell_length_c                   17.814(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.86(3)
_cell_angle_gamma                90.00
_cell_volume                     3999.4(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2248
_exptl_absorpt_coefficient_mu    1.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8620
_exptl_absorpt_correction_T_max  0.8874
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_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  ?
_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            15101
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.35
_diffrn_reflns_theta_max         24.99
_reflns_number_total             6519
_reflns_number_gt                6091
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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.
;

_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^)+(0.0319P)^2^+0.0000P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_number_reflns         6519
_refine_ls_number_parameters     559
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0688
_refine_ls_wR_factor_gt          0.0657
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.867031(19) 0.35315(3) 0.69130(2) 0.03059(10) Uani 1 1 d . . .
Ag2 Ag 0.482779(18) 0.36082(3) 0.263546(18) 0.02989(10) Uani 1 1 d . . .
Ag3 Ag 0.61189(2) 0.54798(3) 0.22890(2) 0.03137(10) Uani 1 1 d . . .
C1 C 0.7619(3) 0.2288(4) 0.7619(3) 0.0252(11) Uani 1 1 d . . .
H1 H 0.7987 0.2393 0.8083 0.030 Uiso 1 1 calc R . .
C2 C 0.7009(3) 0.1698(4) 0.7638(3) 0.0230(11) Uani 1 1 d . . .
H2 H 0.6978 0.1414 0.8112 0.028 Uiso 1 1 calc R . .
C3 C 0.6444(3) 0.1525(4) 0.6962(3) 0.0205(11) Uani 1 1 d . . .
C4 C 0.6512(3) 0.2016(4) 0.6275(3) 0.0255(11) Uani 1 1 d . . .
H4 H 0.6139 0.1964 0.5810 0.031 Uiso 1 1 calc R . .
C5 C 0.7137(3) 0.2576(4) 0.6297(3) 0.0300(12) Uani 1 1 d . . .
H5 H 0.7177 0.2877 0.5831 0.036 Uiso 1 1 calc R . .
C6 C 0.5092(3) -0.0174(4) 0.7630(3) 0.0241(11) Uani 1 1 d . . .
H6 H 0.5021 -0.0406 0.8100 0.029 Uiso 1 1 calc R . .
C7 C 0.5681(3) 0.0475(4) 0.7653(3) 0.0221(10) Uani 1 1 d . . .
H7 H 0.5997 0.0675 0.8134 0.027 Uiso 1 1 calc R . .
C8 C 0.5810(3) 0.0836(3) 0.6960(3) 0.0188(10) Uani 1 1 d . . .
C9 C 0.5305(3) 0.0502(4) 0.6262(3) 0.0238(11) Uani 1 1 d . . .
H9 H 0.5362 0.0717 0.5782 0.029 Uiso 1 1 calc R . .
C10 C 0.4723(3) -0.0146(4) 0.6285(3) 0.0273(12) Uani 1 1 d . . .
H10 H 0.4393 -0.0351 0.5812 0.033 Uiso 1 1 calc R . .
C11 C 0.3783(3) 0.4941(4) 0.3274(3) 0.0258(11) Uani 1 1 d . . .
H11 H 0.4107 0.4720 0.3746 0.031 Uiso 1 1 calc R . .
C12 C 0.3199(3) 0.5587(4) 0.3294(3) 0.0229(11) Uani 1 1 d . . .
H12 H 0.3140 0.5797 0.3774 0.027 Uiso 1 1 calc R . .
C13 C 0.2703(3) 0.5921(4) 0.2605(3) 0.0185(10) Uani 1 1 d . . .
C14 C 0.2832(3) 0.5596(4) 0.1910(3) 0.0247(11) Uani 1 1 d . . .
H14 H 0.2517 0.5801 0.1429 0.030 Uiso 1 1 calc R . .
C15 C 0.3434(3) 0.4967(4) 0.1941(3) 0.0252(11) Uani 1 1 d . . .
H15 H 0.3517 0.4772 0.1469 0.030 Uiso 1 1 calc R . .
C16 C 0.1291(3) 0.7472(4) 0.3277(3) 0.0261(11) Uani 1 1 d . . .
H16 H 0.1211 0.7670 0.3749 0.031 Uiso 1 1 calc R . .
C17 C 0.1922(3) 0.6923(4) 0.3301(3) 0.0223(11) Uani 1 1 d . . .
H17 H 0.2265 0.6787 0.3780 0.027 Uiso 1 1 calc R . .
C18 C 0.2044(3) 0.6572(3) 0.2605(3) 0.0159(10) Uani 1 1 d . . .
C19 C 0.1514(3) 0.6842(4) 0.1917(3) 0.0265(12) Uani 1 1 d . . .
H19 H 0.1572 0.6634 0.1437 0.032 Uiso 1 1 calc R . .
C20 C 0.0909(3) 0.7410(4) 0.1938(3) 0.0268(11) Uani 1 1 d . . .
H20 H 0.0566 0.7577 0.1466 0.032 Uiso 1 1 calc R . .
C21 C 0.5056(3) 0.6754(4) 0.2959(3) 0.0293(11) Uani 1 1 d . . .
H21 H 0.5359 0.6480 0.3426 0.035 Uiso 1 1 calc R . .
C22 C 0.4480(3) 0.7398(4) 0.2994(3) 0.0278(12) Uani 1 1 d . . .
H22 H 0.4397 0.7535 0.3474 0.033 Uiso 1 1 calc R . .
C23 C 0.4023(3) 0.7844(3) 0.2309(3) 0.0203(10) Uani 1 1 d . . .
C24 C 0.4179(3) 0.7571(4) 0.1617(3) 0.0277(11) Uani 1 1 d . . .
H24 H 0.3885 0.7839 0.1142 0.033 Uiso 1 1 calc R . .
C25 C 0.4757(3) 0.6916(4) 0.1622(3) 0.0296(11) Uani 1 1 d . . .
H25 H 0.4844 0.6754 0.1148 0.036 Uiso 1 1 calc R . .
C26 C 0.2664(3) 0.9484(4) 0.2992(3) 0.0343(13) Uani 1 1 d . . .
H26 H 0.2609 0.9736 0.3464 0.041 Uiso 1 1 calc R . .
C27 C 0.3283(3) 0.8915(4) 0.3011(3) 0.0330(12) Uani 1 1 d . . .
H27 H 0.3635 0.8792 0.3485 0.040 Uiso 1 1 calc R . .
C28 C 0.3381(3) 0.8521(4) 0.2312(3) 0.0191(11) Uani 1 1 d . . .
C29 C 0.2852(3) 0.8776(4) 0.1635(3) 0.0290(12) Uani 1 1 d . . .
H29 H 0.2904 0.8558 0.1154 0.035 Uiso 1 1 calc R . .
C30 C 0.2244(3) 0.9349(4) 0.1659(3) 0.0341(13) Uani 1 1 d . . .
H30 H 0.1894 0.9501 0.1188 0.041 Uiso 1 1 calc R . .
C31 C 0.6750(4) 0.7688(4) 0.4739(3) 0.0448(15) Uani 1 1 d . . .
H31 H 0.6545 0.6990 0.4708 0.054 Uiso 1 1 calc R . .
C32 C 0.7461(3) 0.7788(4) 0.4730(3) 0.0357(13) Uani 1 1 d . . .
C33 C 0.7753(3) 0.8852(4) 0.4800(3) 0.0333(13) Uani 1 1 d . . .
H33 H 0.8235 0.8948 0.4818 0.040 Uiso 1 1 calc R . .
C34 C 0.7340(3) 0.9756(4) 0.4841(3) 0.0342(12) Uani 1 1 d . . .
H34 H 0.7545 1.0454 0.4877 0.041 Uiso 1 1 calc R . .
C35 C 0.6627(3) 0.9646(4) 0.4830(3) 0.0405(14) Uani 1 1 d . . .
H35 H 0.6348 1.0263 0.4849 0.049 Uiso 1 1 calc R . .
C36 C 0.6334(4) 0.8597(5) 0.4792(3) 0.0436(15) Uani 1 1 d . . .
C37 C 0.5586(4) 0.8463(6) 0.4788(4) 0.062(2) Uani 1 1 d . . .
N1 N 0.7694(2) 0.2715(3) 0.6948(2) 0.0241(10) Uani 1 1 d . . .
N2 N 0.4610(2) -0.0489(3) 0.6947(2) 0.0215(10) Uani 1 1 d . . .
N3 N 0.3904(2) 0.4620(3) 0.2603(2) 0.0240(9) Uani 1 1 d . . .
N4 N 0.0784(2) 0.7737(3) 0.2605(2) 0.0224(9) Uani 1 1 d . . .
N5 N 0.5204(3) 0.6499(3) 0.2286(3) 0.0271(11) Uani 1 1 d . . .
N6 N 0.2134(2) 0.9699(3) 0.2329(2) 0.0232(9) Uani 1 1 d . . .
N7 N 0.7869(3) 0.6896(4) 0.4671(3) 0.0530(14) Uani 1 1 d . . .
H7A H 0.7685 0.6246 0.4638 0.064 Uiso 1 1 calc R . .
H7B H 0.8310 0.6982 0.4667 0.064 Uiso 1 1 calc R . .
N8 N 0.5004(4) 0.8351(7) 0.4794(3) 0.084(2) Uani 1 1 d . . .
N9 N 0.3856(2) 0.6713(3) 0.5387(2) 0.0313(10) Uani 1 1 d . . .
N10 N 0.6176(3) 0.4695(3) 0.4320(2) 0.0318(10) Uani 1 1 d . . .
N11 N 0.4683(3) 0.2039(4) 0.4259(2) 0.0366(11) Uani 1 1 d . . .
O1W O 0.8056(3) 0.4392(4) 0.5189(3) 0.0655(13) Uani 1 1 d . . .
H1WA H 0.7603 0.4429 0.5128 0.079 Uiso 1 1 d R . .
H1WB H 0.8162 0.3728 0.5119 0.079 Uiso 1 1 d R . .
O1 O 0.3314(2) 0.7180(3) 0.4948(2) 0.0505(11) Uani 1 1 d . . .
O2W O 0.5496(2) 0.5138(3) 0.5838(2) 0.0473(10) Uani 1 1 d . . .
H2WA H 0.5729 0.4937 0.5524 0.057 Uiso 1 1 d R . .
H2WB H 0.5068 0.5311 0.5573 0.057 Uiso 1 1 d R . .
O2 O 0.4200(2) 0.7143(3) 0.6019(2) 0.0385(9) Uani 1 1 d . . .
O3 O 0.4033(2) 0.5798(3) 0.5200(2) 0.0498(10) Uani 1 1 d . . .
O4 O 0.5505(2) 0.4550(4) 0.4111(2) 0.0482(10) Uani 1 1 d . . .
O5 O 0.6534(3) 0.4357(4) 0.4972(2) 0.0615(13) Uani 1 1 d . . .
O6 O 0.6485(2) 0.5172(3) 0.3891(2) 0.0474(10) Uani 1 1 d . . .
O7 O 0.5298(2) 0.1618(4) 0.4417(2) 0.0519(11) Uani 1 1 d . . .
O8 O 0.4442(3) 0.2313(4) 0.4812(2) 0.0635(13) Uani 1 1 d . . .
O9 O 0.4315(2) 0.2176(4) 0.3568(2) 0.0473(11) Uani 1 1 d . . .

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
Ag1 0.0177(2) 0.0326(2) 0.0430(2) -0.00190(17) 0.01130(18) -0.01157(17)
Ag2 0.0168(2) 0.0367(2) 0.0357(2) -0.00238(17) 0.00688(17) 0.01325(17)
Ag3 0.0173(2) 0.03419(19) 0.0436(2) 0.00067(18) 0.01024(16) 0.01161(18)
C1 0.014(3) 0.032(3) 0.027(3) -0.003(2) 0.002(2) -0.005(2)
C2 0.015(3) 0.034(3) 0.018(2) -0.001(2) 0.002(2) -0.009(2)
C3 0.017(3) 0.017(2) 0.029(3) -0.0014(19) 0.009(2) -0.001(2)
C4 0.022(3) 0.030(3) 0.021(2) 0.008(2) 0.001(2) -0.010(2)
C5 0.026(3) 0.031(3) 0.034(3) 0.010(2) 0.009(3) -0.008(2)
C6 0.027(3) 0.029(2) 0.019(2) 0.003(2) 0.012(2) -0.006(2)
C7 0.018(3) 0.026(2) 0.020(2) -0.001(2) 0.001(2) -0.007(2)
C8 0.018(3) 0.018(2) 0.020(2) 0.0008(18) 0.006(2) 0.000(2)
C9 0.018(3) 0.033(3) 0.020(2) 0.004(2) 0.005(2) -0.004(2)
C10 0.020(3) 0.033(3) 0.024(3) 0.000(2) 0.000(2) -0.011(2)
C11 0.020(3) 0.030(3) 0.026(3) 0.003(2) 0.005(2) 0.009(2)
C12 0.015(3) 0.028(3) 0.026(3) 0.003(2) 0.006(2) 0.004(2)
C13 0.013(3) 0.014(2) 0.028(3) 0.0008(19) 0.005(2) -0.001(2)
C14 0.022(3) 0.034(3) 0.017(2) 0.003(2) 0.003(2) 0.012(2)
C15 0.019(3) 0.032(3) 0.027(3) -0.004(2) 0.009(2) 0.006(2)
C16 0.024(3) 0.034(3) 0.021(3) -0.003(2) 0.007(2) 0.009(2)
C17 0.013(3) 0.030(3) 0.021(2) -0.0026(19) 0.000(2) 0.005(2)
C18 0.014(3) 0.018(2) 0.016(2) 0.0024(17) 0.004(2) 0.0012(19)
C19 0.027(3) 0.035(3) 0.021(3) -0.003(2) 0.011(2) 0.007(2)
C20 0.017(3) 0.035(3) 0.024(3) 0.006(2) -0.001(2) 0.010(2)
C21 0.021(3) 0.033(3) 0.031(3) 0.006(2) 0.004(2) 0.010(2)
C22 0.028(3) 0.030(3) 0.026(3) 0.002(2) 0.008(2) 0.005(2)
C23 0.008(3) 0.020(2) 0.030(2) -0.0007(19) 0.002(2) -0.0031(18)
C24 0.020(3) 0.037(3) 0.026(3) 0.003(2) 0.006(2) 0.006(2)
C25 0.018(3) 0.039(3) 0.032(3) 0.002(2) 0.007(2) 0.008(2)
C26 0.032(3) 0.044(3) 0.030(3) -0.008(2) 0.013(3) 0.012(3)
C27 0.021(3) 0.044(3) 0.032(3) -0.002(2) 0.005(2) 0.010(2)
C28 0.014(3) 0.018(2) 0.025(3) 0.0008(18) 0.005(2) 0.000(2)
C29 0.024(3) 0.039(3) 0.025(3) -0.003(2) 0.009(2) 0.013(2)
C30 0.024(3) 0.054(3) 0.021(2) 0.001(2) 0.001(2) 0.016(3)
C31 0.062(4) 0.051(3) 0.024(2) -0.007(3) 0.017(2) -0.032(4)
C32 0.052(4) 0.038(3) 0.015(2) 0.004(2) 0.006(2) -0.008(3)
C33 0.034(4) 0.042(3) 0.018(2) 0.005(2) -0.003(2) -0.012(3)
C34 0.043(4) 0.030(3) 0.025(3) 0.002(2) 0.002(2) -0.008(2)
C35 0.044(4) 0.052(3) 0.021(2) 0.001(3) 0.002(2) -0.001(3)
C36 0.040(4) 0.067(4) 0.021(3) -0.008(2) 0.005(2) -0.015(3)
C37 0.051(5) 0.106(6) 0.033(3) -0.028(3) 0.017(3) -0.027(4)
N1 0.019(3) 0.027(2) 0.025(2) 0.0036(18) 0.003(2) -0.0059(19)
N2 0.018(3) 0.024(2) 0.023(2) 0.0017(17) 0.0066(19) -0.0060(18)
N3 0.022(3) 0.024(2) 0.025(2) 0.0000(17) 0.0058(19) 0.0009(19)
N4 0.017(2) 0.025(2) 0.027(2) -0.0007(17) 0.0078(19) 0.0038(18)
N5 0.023(3) 0.025(2) 0.036(3) -0.0014(17) 0.012(2) 0.0031(19)
N6 0.013(2) 0.026(2) 0.031(2) 0.0008(17) 0.0080(18) 0.0070(17)
N7 0.067(4) 0.042(3) 0.048(3) 0.002(2) 0.014(3) -0.003(3)
N8 0.051(5) 0.154(7) 0.053(4) -0.040(4) 0.021(3) -0.032(4)
N9 0.022(3) 0.037(2) 0.032(2) -0.0074(19) 0.003(2) -0.008(2)
N10 0.030(3) 0.034(2) 0.029(2) -0.0043(18) 0.004(2) 0.012(2)
N11 0.036(3) 0.044(3) 0.031(3) 0.006(2) 0.013(2) 0.009(2)
O1W 0.037(3) 0.045(2) 0.105(4) -0.012(2) 0.005(3) -0.008(2)
O1 0.027(3) 0.048(2) 0.057(3) -0.012(2) -0.017(2) 0.0082(19)
O2W 0.026(2) 0.071(3) 0.042(2) 0.0007(19) 0.0047(18) -0.002(2)
O2 0.030(2) 0.051(2) 0.031(2) -0.0140(18) 0.0025(17) -0.0079(19)
O3 0.039(3) 0.042(2) 0.057(3) -0.0170(18) -0.006(2) 0.0061(19)
O4 0.027(3) 0.061(3) 0.052(2) -0.0041(19) 0.0028(19) 0.005(2)
O5 0.043(3) 0.101(4) 0.029(2) 0.019(2) -0.0083(19) 0.012(2)
O6 0.039(3) 0.063(3) 0.044(2) 0.011(2) 0.019(2) 0.014(2)
O7 0.034(3) 0.073(3) 0.045(2) 0.009(2) 0.005(2) 0.022(2)
O8 0.067(4) 0.093(3) 0.039(2) -0.007(2) 0.028(2) 0.018(3)
O9 0.035(3) 0.078(3) 0.0234(19) 0.007(2) -0.0014(18) 0.010(2)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.147(4) . ?
Ag1 N2 2.156(4) 3 ?
Ag1 Ag2 3.4263(8) 4 ?
Ag2 N4 2.143(4) 3_545 ?
Ag2 N3 2.153(4) . ?
Ag3 N5 2.157(5) . ?
Ag3 N6 2.161(4) 3_545 ?
C1 N1 1.348(6) . ?
C1 C2 1.388(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.386(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.400(7) . ?
C3 C8 1.483(7) . ?
C4 C5 1.377(7) . ?
C4 H4 0.9300 . ?
C5 N1 1.345(7) . ?
C5 H5 0.9300 . ?
C6 N2 1.355(7) . ?
C6 C7 1.375(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.398(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.400(7) . ?
C9 C10 1.384(7) . ?
C9 H9 0.9300 . ?
C10 N2 1.326(6) . ?
C10 H10 0.9300 . ?
C11 N3 1.340(6) . ?
C11 C12 1.384(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.381(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.390(6) . ?
C13 C18 1.498(6) . ?
C14 C15 1.378(7) . ?
C14 H14 0.9300 . ?
C15 N3 1.332(6) . ?
C15 H15 0.9300 . ?
C16 N4 1.348(6) . ?
C16 C17 1.379(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.395(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.388(7) . ?
C19 C20 1.367(7) . ?
C19 H19 0.9300 . ?
C20 N4 1.338(6) . ?
C20 H20 0.9300 . ?
C21 N5 1.347(7) . ?
C21 C22 1.375(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.392(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.392(6) . ?
C23 C28 1.488(7) . ?
C24 C25 1.369(7) . ?
C24 H24 0.9300 . ?
C25 N5 1.344(7) . ?
C25 H25 0.9300 . ?
C26 N6 1.345(7) . ?
C26 C27 1.373(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.396(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.372(7) . ?
C29 C30 1.375(7) . ?
C29 H29 0.9300 . ?
C30 N6 1.341(6) . ?
C30 H30 0.9300 . ?
C31 C32 1.385(9) . ?
C31 C36 1.385(9) . ?
C31 H31 0.9300 . ?
C32 N7 1.361(7) . ?
C32 C33 1.401(7) . ?
C33 C34 1.370(8) . ?
C33 H33 0.9300 . ?
C34 C35 1.379(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.387(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.452(10) . ?
C37 N8 1.135(9) . ?
N2 Ag1 2.156(4) 3_445 ?
N4 Ag2 2.143(4) 3_455 ?
N6 Ag3 2.161(4) 3_455 ?
N7 H7A 0.8600 . ?
N7 H7B 0.8600 . ?
N9 O3 1.237(5) . ?
N9 O2 1.244(5) . ?
N9 O1 1.246(6) . ?
N10 O5 1.237(6) . ?
N10 O6 1.241(6) . ?
N10 O4 1.251(6) . ?
N11 O9 1.241(6) . ?
N11 O7 1.248(6) . ?
N11 O8 1.251(5) . ?
O1W H1WA 0.8499 . ?
O1W H1WB 0.8501 . ?
O2W H2WA 0.8497 . ?
O2W H2WB 0.8501 . ?

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
N1 Ag1 N2 173.24(16) . 3 ?
N1 Ag1 Ag2 97.00(11) . 4 ?
N2 Ag1 Ag2 87.48(12) 3 4 ?
N4 Ag2 N3 174.07(15) 3_545 . ?
N5 Ag3 N6 170.89(16) . 3_545 ?
N1 C1 C2 122.1(5) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C3 C2 C1 121.1(5) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 116.4(5) . . ?
C2 C3 C8 121.9(4) . . ?
C4 C3 C8 121.7(5) . . ?
C5 C4 C3 119.3(5) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 124.2(4) . . ?
N1 C5 H5 117.9 . . ?
C4 C5 H5 117.9 . . ?
N2 C6 C7 122.4(4) . . ?
N2 C6 H6 118.8 . . ?
C7 C6 H6 118.8 . . ?
C6 C7 C8 120.8(4) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C7 C8 C9 115.9(4) . . ?
C7 C8 C3 122.3(4) . . ?
C9 C8 C3 121.8(4) . . ?
C10 C9 C8 120.1(4) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
N2 C10 C9 123.3(5) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
N3 C11 C12 122.8(5) . . ?
N3 C11 H11 118.6 . . ?
C12 C11 H11 118.6 . . ?
C13 C12 C11 120.3(4) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C14 116.8(5) . . ?
C12 C13 C18 121.7(4) . . ?
C14 C13 C18 121.4(4) . . ?
C15 C14 C13 119.3(5) . . ?
C15 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
N3 C15 C14 124.1(4) . . ?
N3 C15 H15 117.9 . . ?
C14 C15 H15 117.9 . . ?
N4 C16 C17 123.4(4) . . ?
N4 C16 H16 118.3 . . ?
C17 C16 H16 118.3 . . ?
C16 C17 C18 119.7(5) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 116.1(5) . . ?
C19 C18 C13 122.3(4) . . ?
C17 C18 C13 121.6(4) . . ?
C20 C19 C18 120.9(5) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
N4 C20 C19 123.3(5) . . ?
N4 C20 H20 118.3 . . ?
C19 C20 H20 118.3 . . ?
N5 C21 C22 123.6(5) . . ?
N5 C21 H21 118.2 . . ?
C22 C21 H21 118.2 . . ?
C21 C22 C23 119.9(5) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 116.0(5) . . ?
C24 C23 C28 122.0(4) . . ?
C22 C23 C28 122.0(4) . . ?
C25 C24 C23 121.2(5) . . ?
C25 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
N5 C25 C24 122.6(5) . . ?
N5 C25 H25 118.7 . . ?
C24 C25 H25 118.7 . . ?
N6 C26 C27 123.7(4) . . ?
N6 C26 H26 118.2 . . ?
C27 C26 H26 118.2 . . ?
C26 C27 C28 119.5(5) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C29 C28 C27 116.6(5) . . ?
C29 C28 C23 122.0(4) . . ?
C27 C28 C23 121.4(5) . . ?
C28 C29 C30 120.8(4) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
N6 C30 C29 123.0(5) . . ?
N6 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
C32 C31 C36 121.9(5) . . ?
C32 C31 H31 119.1 . . ?
C36 C31 H31 119.1 . . ?
N7 C32 C31 121.9(5) . . ?
N7 C32 C33 121.0(6) . . ?
C31 C32 C33 117.0(5) . . ?
C34 C33 C32 121.2(6) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C33 C34 C35 121.0(5) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
C34 C35 C36 118.8(6) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
C31 C36 C35 119.9(6) . . ?
C31 C36 C37 120.4(6) . . ?
C35 C36 C37 119.7(6) . . ?
N8 C37 C36 179.1(9) . . ?
C5 N1 C1 116.8(4) . . ?
C5 N1 Ag1 121.5(3) . . ?
C1 N1 Ag1 121.6(4) . . ?
C10 N2 C6 117.5(4) . . ?
C10 N2 Ag1 120.2(4) . 3_445 ?
C6 N2 Ag1 122.3(3) . 3_445 ?
C15 N3 C11 116.6(4) . . ?
C15 N3 Ag2 123.4(3) . . ?
C11 N3 Ag2 119.9(3) . . ?
C20 N4 C16 116.5(4) . . ?
C20 N4 Ag2 123.2(3) . 3_455 ?
C16 N4 Ag2 120.3(3) . 3_455 ?
C25 N5 C21 116.6(5) . . ?
C25 N5 Ag3 122.4(3) . . ?
C21 N5 Ag3 121.0(4) . . ?
C30 N6 C26 116.3(4) . . ?
C30 N6 Ag3 119.1(3) . 3_455 ?
C26 N6 Ag3 124.5(3) . 3_455 ?
C32 N7 H7A 120.0 . . ?
C32 N7 H7B 120.0 . . ?
H7A N7 H7B 120.0 . . ?
O3 N9 O2 120.2(5) . . ?
O3 N9 O1 119.2(4) . . ?
O2 N9 O1 120.5(4) . . ?
O5 N10 O6 119.6(5) . . ?
O5 N10 O4 118.7(5) . . ?
O6 N10 O4 121.7(4) . . ?
O9 N11 O7 120.9(4) . . ?
O9 N11 O8 120.5(5) . . ?
O7 N11 O8 118.6(5) . . ?
H1WA O1W H1WB 108.3 . . ?
H2WA O2W H2WB 108.7 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N7 H7A O1W 0.86 2.48 3.168(7) 137.8 .
N7 H7B O8 0.86 2.16 3.018(8) 172.0 3
O1W H1WA O5 0.85 2.00 2.851(7) 174.5 .
O1W H1WB O1 0.85 1.94 2.788(6) 174.9 3_545
O2W H2WA O5 0.85 2.18 3.016(6) 166.5 .
O2W H2WB O3 0.85 2.00 2.837(6) 166.4 .

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.373
_refine_diff_density_min         -0.552
_refine_diff_density_rms         0.070


data_p3
_database_code_depnum_ccdc_archive 'CCDC 886794'
#TrackingRef 'web_deposit_cif_file_0_DiSun_1339915498.p1-3.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C10 H8 Ag N2), C7 H6 N2, 2(N O3), H2 O '
_chemical_formula_sum            'C27 H24 Ag2 N8 O7'
_chemical_formula_weight         788.28

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   p2(1)/c

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

_cell_length_a                   14.010(4)
_cell_length_b                   11.380(3)
_cell_length_c                   18.085(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.627(5)
_cell_angle_gamma                90.00
_cell_volume                     2824.2(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1568
_exptl_absorpt_coefficient_mu    1.449
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5949
_exptl_absorpt_correction_T_max  0.7604
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(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            13681
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_sigmaI/netI    0.1193
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.48
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4950
_reflns_number_gt                3755
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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.
;

_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^)+(0.0000P)^2^+17.3495P] 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         4950
_refine_ls_number_parameters     397
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0767
_refine_ls_wR_factor_ref         0.2106
_refine_ls_wR_factor_gt          0.1979
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_restrained_S_all      1.194
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.88953(6) 1.01668(6) 0.50371(4) 0.0368(3) Uani 1 1 d . . .
Ag2 Ag 0.62280(6) 1.31227(7) 0.48824(5) 0.0467(3) Uani 1 1 d . . .
C1 C 0.9099(7) 0.7694(8) 0.5746(5) 0.036(2) Uani 1 1 d . . .
H1 H 0.9343 0.8116 0.6198 0.043 Uiso 1 1 calc R . .
C2 C 0.9053(8) 0.6480(10) 0.5776(5) 0.042(3) Uani 1 1 d . . .
H2 H 0.9246 0.6101 0.6250 0.050 Uiso 1 1 calc R . .
C3 C 0.8741(7) 0.5811(8) 0.5154(6) 0.032(2) Uani 1 1 d . . .
C4 C 0.8428(7) 0.6451(8) 0.4468(5) 0.031(2) Uani 1 1 d U . .
H4 H 0.8183 0.6043 0.4011 0.038 Uiso 1 1 calc R . .
C5 C 0.8482(8) 0.7653(9) 0.4471(6) 0.042(3) Uani 1 1 d . . .
H5 H 0.8277 0.8057 0.4006 0.051 Uiso 1 1 calc R . .
C6 C 0.9057(8) 0.2634(10) 0.5736(6) 0.044(3) Uani 1 1 d U . .
H6 H 0.9274 0.2201 0.6188 0.053 Uiso 1 1 calc R . .
C7 C 0.9022(8) 0.3869(10) 0.5778(6) 0.046(3) Uani 1 1 d U . .
H7 H 0.9209 0.4253 0.6252 0.055 Uiso 1 1 calc R . .
C8 C 0.8718(6) 0.4513(9) 0.5136(5) 0.028(2) Uani 1 1 d . . .
C9 C 0.8429(9) 0.3856(10) 0.4480(5) 0.050(3) Uani 1 1 d . . .
H9 H 0.8185 0.4248 0.4017 0.060 Uiso 1 1 calc R . .
C10 C 0.8488(9) 0.2695(8) 0.4490(6) 0.045(3) Uani 1 1 d . . .
H10 H 0.8289 0.2290 0.4025 0.054 Uiso 1 1 calc R . .
C11 C 0.6222(9) 1.0652(10) 0.5548(7) 0.054(3) Uani 1 1 d . . .
H11 H 0.6205 1.1082 0.5995 0.065 Uiso 1 1 calc R . .
C12 C 0.6149(8) 0.9421(9) 0.5557(6) 0.042(3) Uani 1 1 d . . .
H12 H 0.6054 0.9031 0.6001 0.050 Uiso 1 1 calc R . .
C13 C 0.6214(7) 0.8772(8) 0.4917(5) 0.030(2) Uani 1 1 d . . .
C14 C 0.6331(9) 0.9408(10) 0.4306(7) 0.052(3) Uani 1 1 d . . .
H14 H 0.6377 0.9010 0.3853 0.063 Uiso 1 1 calc R . .
C15 C 0.6385(8) 1.0604(10) 0.4328(6) 0.045(3) Uani 1 1 d U . .
H15 H 0.6477 1.1011 0.3889 0.054 Uiso 1 1 calc R . .
C16 C 0.6459(7) 0.5586(9) 0.5532(6) 0.035(2) Uani 1 1 d U . .
H16 H 0.6682 0.5154 0.5984 0.042 Uiso 1 1 calc R . .
C17 C 0.6480(7) 0.6838(8) 0.5564(5) 0.034(2) Uani 1 1 d . . .
H17 H 0.6710 0.7218 0.6034 0.041 Uiso 1 1 calc R . .
C18 C 0.6169(7) 0.7518(8) 0.4914(5) 0.030(2) Uani 1 1 d . . .
C19 C 0.5828(7) 0.6846(8) 0.4241(6) 0.037(2) Uani 1 1 d . . .
H19 H 0.5602 0.7238 0.3774 0.045 Uiso 1 1 calc R . .
C20 C 0.5827(8) 0.5618(9) 0.4268(6) 0.043(3) Uani 1 1 d . . .
H20 H 0.5589 0.5202 0.3813 0.052 Uiso 1 1 calc R . .
C21 C 0.1189(8) 0.6143(11) 0.7444(6) 0.043(3) Uani 1 1 d . . .
C22 C 0.1649(8) 0.4999(8) 0.7476(5) 0.035(2) Uani 1 1 d . . .
C23 C 0.1092(7) 0.3982(8) 0.7453(5) 0.035(2) Uani 1 1 d . . .
H23 H 0.0412 0.4028 0.7438 0.042 Uiso 1 1 calc R . .
C24 C 0.1542(7) 0.2911(9) 0.7451(5) 0.035(2) Uani 1 1 d . . .
H24 H 0.1164 0.2216 0.7435 0.042 Uiso 1 1 calc R . .
C25 C 0.2557(7) 0.2815(9) 0.7472(5) 0.034(2) Uani 1 1 d . . .
C26 C 0.3097(7) 0.3850(9) 0.7490(5) 0.037(2) Uani 1 1 d . . .
H26 H 0.3778 0.3806 0.7505 0.045 Uiso 1 1 calc R . .
C27 C 0.2655(7) 0.4940(8) 0.7484(5) 0.034(2) Uani 1 1 d . . .
H27 H 0.3026 0.5639 0.7487 0.041 Uiso 1 1 calc R . .
N1 N 0.8812(5) 0.8297(6) 0.5101(4) 0.0265(16) Uani 1 1 d . . .
N2 N 0.8805(5) 0.2062(7) 0.5103(4) 0.0316(18) Uani 1 1 d . . .
N3 N 0.6315(6) 1.1222(8) 0.4934(5) 0.041(2) Uani 1 1 d . . .
N4 N 0.6137(6) 0.4998(7) 0.4892(4) 0.0351(19) Uani 1 1 d . . .
N5 N 0.0812(8) 0.7042(8) 0.7374(5) 0.052(2) Uani 1 1 d . . .
N6 N 0.2989(6) 0.1749(7) 0.7442(5) 0.039(2) Uani 1 1 d . . .
H6A H 0.3614 0.1708 0.7434 0.047 Uiso 1 1 calc R . .
H6B H 0.2643 0.1102 0.7432 0.047 Uiso 1 1 calc R . .
N7 N 0.8860(6) 0.4881(7) 0.8179(4) 0.0355(19) Uani 1 1 d . . .
N8 N 0.5610(7) 0.2981(8) 0.2973(6) 0.049(2) Uani 1 1 d . . .
O1 O 0.8175(6) 0.4706(7) 0.8502(4) 0.054(2) Uani 1 1 d . . .
O1W O 0.3044(7) 0.6673(9) 0.3328(5) 0.086(3) Uani 1 1 d . . .
H1WA H 0.2613 0.6278 0.3033 0.103 Uiso 1 1 d R . .
H1WB H 0.3417 0.6996 0.3071 0.103 Uiso 1 1 d R . .
O2 O 0.9691(6) 0.5066(7) 0.8557(4) 0.056(2) Uani 1 1 d . . .
O3 O 0.8707(6) 0.4933(6) 0.7477(4) 0.0458(19) Uani 1 1 d . . .
O4 O 0.5348(8) 0.3069(13) 0.2314(6) 0.110(5) Uani 1 1 d . . .
O5 O 0.5054(7) 0.3015(9) 0.3404(6) 0.078(3) Uani 1 1 d . . .
O6 O 0.6494(7) 0.2848(9) 0.3276(6) 0.085(3) Uani 1 1 d . . .

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
Ag1 0.0484(5) 0.0154(4) 0.0458(5) 0.0007(3) 0.0076(4) 0.0014(3)
Ag2 0.0500(5) 0.0180(4) 0.0741(7) 0.0065(4) 0.0171(4) 0.0011(3)
C1 0.052(6) 0.018(5) 0.031(5) -0.002(4) -0.007(5) -0.007(4)
C2 0.056(6) 0.046(6) 0.020(5) 0.001(5) -0.001(4) -0.008(6)
C3 0.038(5) 0.013(4) 0.048(6) -0.003(4) 0.015(5) 0.007(4)
C4 0.044(4) 0.015(3) 0.032(4) -0.005(3) 0.002(3) -0.003(3)
C5 0.063(7) 0.032(6) 0.029(5) 0.013(5) 0.004(5) 0.006(5)
C6 0.054(4) 0.035(4) 0.039(4) 0.008(4) -0.002(4) 0.006(4)
C7 0.061(5) 0.035(4) 0.039(4) -0.006(4) 0.005(4) -0.006(4)
C8 0.022(4) 0.042(6) 0.019(4) -0.002(4) 0.004(3) 0.001(4)
C9 0.092(9) 0.034(6) 0.018(5) -0.005(4) -0.007(5) -0.016(6)
C10 0.080(8) 0.011(5) 0.036(6) 0.002(4) -0.005(5) 0.002(5)
C11 0.079(9) 0.034(6) 0.046(7) 0.007(5) 0.005(6) -0.004(6)
C12 0.059(7) 0.032(6) 0.030(5) 0.003(5) -0.001(5) -0.005(5)
C13 0.043(5) 0.015(4) 0.031(5) 0.007(4) 0.007(4) 0.012(4)
C14 0.074(8) 0.037(6) 0.046(7) 0.007(5) 0.014(6) 0.003(6)
C15 0.054(4) 0.034(4) 0.047(4) 0.008(4) 0.014(4) 0.006(4)
C16 0.037(4) 0.029(4) 0.039(4) 0.007(3) 0.008(3) 0.005(3)
C17 0.046(6) 0.029(5) 0.029(5) 0.005(4) 0.009(4) 0.000(5)
C18 0.035(5) 0.019(5) 0.037(5) 0.006(4) 0.009(4) 0.003(4)
C19 0.051(6) 0.022(5) 0.038(6) 0.003(4) 0.007(5) -0.002(5)
C20 0.054(7) 0.035(6) 0.044(6) 0.004(5) 0.018(5) 0.008(5)
C21 0.052(7) 0.044(7) 0.032(6) -0.004(5) 0.006(5) -0.005(6)
C22 0.055(6) 0.024(5) 0.024(5) 0.000(4) -0.001(4) 0.000(5)
C23 0.046(6) 0.028(5) 0.029(5) 0.004(4) 0.003(4) -0.001(4)
C24 0.045(6) 0.026(5) 0.032(5) -0.001(4) 0.003(4) -0.019(4)
C25 0.048(6) 0.033(5) 0.019(5) -0.002(4) 0.001(4) -0.003(5)
C26 0.040(6) 0.040(6) 0.030(5) -0.003(4) 0.004(4) -0.005(5)
C27 0.053(6) 0.028(5) 0.021(5) -0.003(4) 0.005(4) -0.013(5)
N1 0.037(4) 0.015(3) 0.026(4) -0.001(3) 0.002(3) -0.005(3)
N2 0.036(4) 0.021(4) 0.037(5) 0.009(4) 0.007(4) 0.010(3)
N3 0.049(5) 0.029(5) 0.051(6) -0.003(4) 0.023(4) -0.012(4)
N4 0.040(5) 0.025(4) 0.043(5) 0.000(4) 0.016(4) 0.004(4)
N5 0.077(7) 0.033(5) 0.039(5) -0.003(4) -0.004(5) 0.010(5)
N6 0.043(5) 0.026(4) 0.045(5) -0.003(4) 0.000(4) 0.002(4)
N7 0.055(5) 0.019(4) 0.031(5) 0.004(3) 0.004(4) 0.009(4)
N8 0.048(6) 0.045(6) 0.055(7) -0.003(5) 0.015(5) -0.018(5)
O1 0.075(5) 0.038(4) 0.054(5) 0.010(4) 0.027(4) 0.000(4)
O1W 0.072(6) 0.091(8) 0.084(7) 0.045(6) -0.006(5) -0.015(6)
O2 0.063(5) 0.059(6) 0.038(4) -0.005(4) -0.012(4) 0.011(4)
O3 0.077(5) 0.026(4) 0.033(4) 0.004(3) 0.008(4) 0.009(4)
O4 0.094(8) 0.182(14) 0.049(6) -0.026(7) 0.003(6) -0.053(8)
O5 0.065(6) 0.083(7) 0.091(7) -0.018(6) 0.026(5) -0.006(5)
O6 0.057(6) 0.083(7) 0.110(8) 0.066(6) 0.003(5) -0.008(5)

_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
Ag1 N1 2.136(7) . ?
Ag1 N2 2.166(8) 1_565 ?
Ag1 O1 2.760(8) 4_575 ?
Ag1 Ag1 3.1482(18) 3_776 ?
Ag2 N4 2.138(8) 1_565 ?
Ag2 N3 2.168(9) . ?
C1 N1 1.344(11) . ?
C1 C2 1.385(14) . ?
C1 H1 0.9500 . ?
C2 C3 1.356(13) . ?
C2 H2 0.9500 . ?
C3 C4 1.428(13) . ?
C3 C8 1.478(13) . ?
C4 C5 1.370(14) . ?
C4 H4 0.9500 . ?
C5 N1 1.355(12) . ?
C5 H5 0.9500 . ?
C6 N2 1.303(13) . ?
C6 C7 1.408(15) . ?
C6 H6 0.9500 . ?
C7 C8 1.366(14) . ?
C7 H7 0.9500 . ?
C8 C9 1.392(13) . ?
C9 C10 1.323(14) . ?
C9 H9 0.9500 . ?
C10 N2 1.321(12) . ?
C10 H10 0.9500 . ?
C11 N3 1.314(13) . ?
C11 C12 1.404(15) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.358(14) . ?
C13 C18 1.428(13) . ?
C14 C15 1.364(16) . ?
C14 H14 0.9500 . ?
C15 N3 1.322(13) . ?
C15 H15 0.9500 . ?
C16 N4 1.335(12) . ?
C16 C17 1.427(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.401(13) . ?
C17 H17 0.9500 . ?
C18 C19 1.436(13) . ?
C19 C20 1.399(14) . ?
C19 H19 0.9500 . ?
C20 N4 1.327(13) . ?
C20 H20 0.9500 . ?
C21 N5 1.147(13) . ?
C21 C22 1.449(15) . ?
C22 C23 1.392(13) . ?
C22 C27 1.407(14) . ?
C23 C24 1.372(14) . ?
C23 H23 0.9500 . ?
C24 C25 1.419(14) . ?
C24 H24 0.9500 . ?
C25 N6 1.361(12) . ?
C25 C26 1.397(14) . ?
C26 C27 1.387(14) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
N2 Ag1 2.166(8) 1_545 ?
N4 Ag2 2.138(8) 1_545 ?
N6 H6A 0.8800 . ?
N6 H6B 0.8800 . ?
N7 O1 1.236(11) . ?
N7 O2 1.244(11) . ?
N7 O3 1.245(10) . ?
N8 O4 1.179(13) . ?
N8 O5 1.207(12) . ?
N8 O6 1.258(12) . ?
O1 Ag1 2.760(8) 4_576 ?
O1W H1WA 0.8499 . ?
O1W H1WB 0.8500 . ?

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
N1 Ag1 N2 170.1(3) . 1_565 ?
N1 Ag1 O1 95.4(3) . 4_575 ?
N2 Ag1 O1 89.4(3) 1_565 4_575 ?
N1 Ag1 Ag1 86.95(19) . 3_776 ?
N2 Ag1 Ag1 101.0(2) 1_565 3_776 ?
O1 Ag1 Ag1 97.29(17) 4_575 3_776 ?
N4 Ag2 N3 177.0(3) 1_565 . ?
N1 C1 C2 122.3(8) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 122.6(9) . . ?
C3 C2 H2 118.7 . . ?
C1 C2 H2 118.7 . . ?
C2 C3 C4 115.2(9) . . ?
C2 C3 C8 125.5(9) . . ?
C4 C3 C8 119.3(8) . . ?
C5 C4 C3 119.9(9) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
N1 C5 C4 123.5(9) . . ?
N1 C5 H5 118.2 . . ?
C4 C5 H5 118.2 . . ?
N2 C6 C7 122.6(10) . . ?
N2 C6 H6 118.7 . . ?
C7 C6 H6 118.7 . . ?
C8 C7 C6 119.8(10) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C7 C8 C9 115.1(10) . . ?
C7 C8 C3 121.1(9) . . ?
C9 C8 C3 123.8(9) . . ?
C10 C9 C8 121.2(10) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
N2 C10 C9 124.4(10) . . ?
N2 C10 H10 117.8 . . ?
C9 C10 H10 117.8 . . ?
N3 C11 C12 121.5(11) . . ?
N3 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C13 C12 C11 120.1(10) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C12 115.6(9) . . ?
C14 C13 C18 122.9(9) . . ?
C12 C13 C18 121.5(8) . . ?
C13 C14 C15 121.6(11) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
N3 C15 C14 122.8(10) . . ?
N3 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
N4 C16 C17 122.4(9) . . ?
N4 C16 H16 118.8 . . ?
C17 C16 H16 118.8 . . ?
C18 C17 C16 121.2(9) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C13 122.9(9) . . ?
C17 C18 C19 114.3(9) . . ?
C13 C18 C19 122.8(8) . . ?
C20 C19 C18 120.3(9) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
N4 C20 C19 124.0(10) . . ?
N4 C20 H20 118.0 . . ?
C19 C20 H20 118.0 . . ?
N5 C21 C22 176.0(11) . . ?
C23 C22 C27 121.0(9) . . ?
C23 C22 C21 120.2(10) . . ?
C27 C22 C21 118.7(9) . . ?
C24 C23 C22 118.9(9) . . ?
C24 C23 H23 120.6 . . ?
C22 C23 H23 120.6 . . ?
C23 C24 C25 121.8(9) . . ?
C23 C24 H24 119.1 . . ?
C25 C24 H24 119.1 . . ?
N6 C25 C26 120.6(9) . . ?
N6 C25 C24 121.2(9) . . ?
C26 C25 C24 118.1(9) . . ?
C27 C26 C25 121.0(9) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C22 119.2(9) . . ?
C26 C27 H27 120.4 . . ?
C22 C27 H27 120.4 . . ?
C1 N1 C5 116.5(8) . . ?
C1 N1 Ag1 123.0(6) . . ?
C5 N1 Ag1 120.4(6) . . ?
C6 N2 C10 116.8(9) . . ?
C6 N2 Ag1 122.5(7) . 1_545 ?
C10 N2 Ag1 120.7(7) . 1_545 ?
C11 N3 C15 118.3(10) . . ?
C11 N3 Ag2 121.0(8) . . ?
C15 N3 Ag2 120.5(7) . . ?
C20 N4 C16 117.8(9) . . ?
C20 N4 Ag2 122.3(7) . 1_545 ?
C16 N4 Ag2 119.8(6) . 1_545 ?
C25 N6 H6A 120.0 . . ?
C25 N6 H6B 120.0 . . ?
H6A N6 H6B 120.0 . . ?
O1 N7 O2 119.8(8) . . ?
O1 N7 O3 119.9(9) . . ?
O2 N7 O3 120.2(9) . . ?
O4 N8 O5 122.7(12) . . ?
O4 N8 O6 121.9(11) . . ?
O5 N8 O6 115.4(11) . . ?
N7 O1 Ag1 107.8(6) . 4_576 ?
H1WA O1W H1WB 108.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 2.0(17) . . . . ?
C1 C2 C3 C4 -2.3(15) . . . . ?
C1 C2 C3 C8 176.8(10) . . . . ?
C2 C3 C4 C5 1.7(14) . . . . ?
C8 C3 C4 C5 -177.5(9) . . . . ?
C3 C4 C5 N1 -0.8(16) . . . . ?
N2 C6 C7 C8 -0.3(17) . . . . ?
C6 C7 C8 C9 2.2(15) . . . . ?
C6 C7 C8 C3 -175.5(9) . . . . ?
C2 C3 C8 C7 0.1(15) . . . . ?
C4 C3 C8 C7 179.2(9) . . . . ?
C2 C3 C8 C9 -177.3(10) . . . . ?
C4 C3 C8 C9 1.8(14) . . . . ?
C7 C8 C9 C10 -2.5(16) . . . . ?
C3 C8 C9 C10 175.1(11) . . . . ?
C8 C9 C10 N2 1(2) . . . . ?
N3 C11 C12 C13 2.7(18) . . . . ?
C11 C12 C13 C14 -1.2(16) . . . . ?
C11 C12 C13 C18 178.2(10) . . . . ?
C12 C13 C14 C15 0.3(16) . . . . ?
C18 C13 C14 C15 -179.1(10) . . . . ?
C13 C14 C15 N3 -0.9(19) . . . . ?
N4 C16 C17 C18 -0.6(14) . . . . ?
C16 C17 C18 C13 -177.5(9) . . . . ?
C16 C17 C18 C19 0.7(13) . . . . ?
C14 C13 C18 C17 150.5(10) . . . . ?
C12 C13 C18 C17 -28.9(14) . . . . ?
C14 C13 C18 C19 -27.6(15) . . . . ?
C12 C13 C18 C19 153.0(10) . . . . ?
C17 C18 C19 C20 -0.1(14) . . . . ?
C13 C18 C19 C20 178.2(9) . . . . ?
C18 C19 C20 N4 -0.7(16) . . . . ?
N5 C21 C22 C23 -83(17) . . . . ?
N5 C21 C22 C27 93(17) . . . . ?
C27 C22 C23 C24 1.1(14) . . . . ?
C21 C22 C23 C24 177.3(9) . . . . ?
C22 C23 C24 C25 0.0(14) . . . . ?
C23 C24 C25 N6 -177.6(9) . . . . ?
C23 C24 C25 C26 -0.4(14) . . . . ?
N6 C25 C26 C27 177.0(9) . . . . ?
C24 C25 C26 C27 -0.2(13) . . . . ?
C25 C26 C27 C22 1.2(13) . . . . ?
C23 C22 C27 C26 -1.7(13) . . . . ?
C21 C22 C27 C26 -177.9(9) . . . . ?
C2 C1 N1 C5 -0.8(14) . . . . ?
C2 C1 N1 Ag1 -179.1(8) . . . . ?
C4 C5 N1 C1 0.2(15) . . . . ?
C4 C5 N1 Ag1 178.6(8) . . . . ?
N2 Ag1 N1 C1 -62.6(19) 1_565 . . . ?
O1 Ag1 N1 C1 178.8(7) 4_575 . . . ?
Ag1 Ag1 N1 C1 81.7(7) 3_776 . . . ?
N2 Ag1 N1 C5 119.1(16) 1_565 . . . ?
O1 Ag1 N1 C5 0.5(7) 4_575 . . . ?
Ag1 Ag1 N1 C5 -96.5(7) 3_776 . . . ?
C7 C6 N2 C10 -1.4(16) . . . . ?
C7 C6 N2 Ag1 178.4(8) . . . 1_545 ?
C9 C10 N2 C6 1.2(17) . . . . ?
C9 C10 N2 Ag1 -178.6(10) . . . 1_545 ?
C12 C11 N3 C15 -3.2(17) . . . . ?
C12 C11 N3 Ag2 171.5(9) . . . . ?
C14 C15 N3 C11 2.4(17) . . . . ?
C14 C15 N3 Ag2 -172.4(9) . . . . ?
N4 Ag2 N3 C11 4(6) 1_565 . . . ?
N4 Ag2 N3 C15 179(100) 1_565 . . . ?
C19 C20 N4 C16 0.8(15) . . . . ?
C19 C20 N4 Ag2 -174.8(8) . . . 1_545 ?
C17 C16 N4 C20 -0.2(14) . . . . ?
C17 C16 N4 Ag2 175.6(7) . . . 1_545 ?
O2 N7 O1 Ag1 0.1(10) . . . 4_576 ?
O3 N7 O1 Ag1 -176.0(6) . . . 4_576 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N6 H6A O5 0.88 2.41 3.072(13) 132.1 4_566
N6 H6B O3 0.88 2.34 3.174(11) 157.2 2_646
O1W H1WA O3 0.85 2.34 3.169(12) 164.5 3_666
O1W H1WB O4 0.85 2.34 3.162(15) 164.5 2_655

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.603
_refine_diff_density_min         -0.996
_refine_diff_density_rms         0.146