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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1
#TrackingRef 'compounds.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C7 H5 Ag N2'
_chemical_formula_weight         225.00

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

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/n

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

_cell_length_a                   4.5170(6)
_cell_length_b                   12.3513(15)
_cell_length_c                   11.1973(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.199(2)
_cell_angle_gamma                90.00
_cell_volume                     621.05(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4893
_cell_measurement_theta_min      2.464
_cell_measurement_theta_max      33.58

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             432
_exptl_absorpt_coefficient_mu    3.145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5446
_exptl_absorpt_correction_T_max  0.6014
_exptl_absorpt_process_details   
;
Higashi, T. (1995) Progrom for Absorption Correcttion.
Rigaku Corporation, Tokyo, Japan.
;
_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  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'Omega scan'
_diffrn_detector_area_resol_mean 10.0
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            4005
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0171
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.46
_diffrn_reflns_theta_max         25.00
_reflns_number_total             1099
_reflns_number_gt                1065
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0242P)²+0.3537P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       0
_refine_ls_number_reflns         1099
_refine_ls_number_parameters     103
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0173
_refine_ls_R_factor_gt           0.0166
_refine_ls_wR_factor_ref         0.0431
_refine_ls_wR_factor_gt          0.0427
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.106
_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 0.01314(4) 0.762275(15) 0.904556(13) 0.02214(10) Uani 1 1 d . . .
N1 N 0.2416(4) 0.71657(15) 0.75938(16) 0.0186(4) Uani 1 1 d . . .
N2 N -0.1164(4) 0.80248(16) 1.07322(15) 0.0188(4) Uani 1 1 d . . .
C1 C 0.2151(6) 0.75090(16) 0.6454(2) 0.0190(5) Uani 1 1 d . . .
C2 C 0.0317(4) 0.87950(17) 1.14677(17) 0.0170(4) Uani 1 1 d . . .
C3 C 0.2352(5) 0.95902(19) 1.1216(2) 0.0219(4) Uani 1 1 d . . .
H3 H 0.2912 0.9677 1.0447 0.026 Uiso 1 1 calc R . .
C4 C 0.3507(5) 1.02462(19) 1.2159(2) 0.0259(5) Uani 1 1 d . . .
C5 C 0.7698(5) 0.4889(2) 0.8321(2) 0.0271(5) Uani 1 1 d . . .
C6 C 0.5657(5) 0.56743(18) 0.85699(18) 0.0219(4) Uani 1 1 d . . .
H6 H 0.5109 0.5760 0.9341 0.026 Uiso 1 1 calc R . .
C7 C 0.4457(4) 0.63299(17) 0.76290(17) 0.0172(4) Uani 1 1 d . . .
H1 H 0.085(5) 0.8105(19) 0.6165(18) 0.007(5) Uiso 1 1 d . . .
H4 H 0.484(6) 1.077(2) 1.202(2) 0.036(7) Uiso 1 1 d . . .
H5 H 0.858(6) 0.444(2) 0.906(2) 0.038(7) Uiso 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.0949(17) . ?
Ag1 N2 2.0963(16) . ?
N1 C1 1.338(3) . ?
N1 C7 1.382(3) . ?
N2 C1 1.341(3) 4_576 ?
N2 C2 1.383(3) . ?
C1 N2 1.341(3) 4_675 ?
C1 H1 0.97(2) . ?
C2 C3 1.395(3) . ?
C2 C7 1.405(3) 4_576 ?
C3 C4 1.387(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.399(4) 4_576 ?
C4 H4 0.91(3) . ?
C5 C6 1.387(3) . ?
C5 C4 1.399(4) 4_675 ?
C5 H5 1.04(3) . ?
C6 C7 1.392(3) . ?
C6 H6 0.9300 . ?
C7 C2 1.405(3) 4_675 ?

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 166.35(7) . . ?
C1 N1 C7 104.75(17) . . ?
C1 N1 Ag1 130.85(15) . . ?
C7 N1 Ag1 124.21(14) . . ?
C1 N2 C2 104.41(17) 4_576 . ?
C1 N2 Ag1 131.14(15) 4_576 . ?
C2 N2 Ag1 122.38(13) . . ?
N1 C1 N2 114.9(2) . 4_675 ?
N1 C1 H1 123.0(11) . . ?
N2 C1 H1 122.1(11) 4_675 . ?
N2 C2 C3 130.63(19) . . ?
N2 C2 C7 108.14(18) . 4_576 ?
C3 C2 C7 121.2(2) . 4_576 ?
C4 C3 C2 117.4(2) . . ?
C4 C3 H3 121.3 . . ?
C2 C3 H3 121.3 . . ?
C3 C4 C5 121.6(2) . 4_576 ?
C3 C4 H4 119.0(17) . . ?
C5 C4 H4 119.4(17) 4_576 . ?
C6 C5 C4 121.1(2) . 4_675 ?
C6 C5 H5 114.8(16) . . ?
C4 C5 H5 124.1(16) 4_675 . ?
C5 C6 C7 117.90(19) . . ?
C5 C6 H6 121.1 . . ?
C7 C6 H6 121.1 . . ?
N1 C7 C6 131.35(18) . . ?
N1 C7 C2 107.81(18) . 4_675 ?
C6 C7 C2 120.84(19) . 4_675 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.687
_refine_diff_density_rms         0.099
_database_code_depnum_ccdc_archive 'CCDC 917391'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_4
#TrackingRef 'compounds.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H9 Ag2 N3 O6'
_chemical_formula_weight         542.99

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

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   13.9448(7)
_cell_length_b                   5.4968(3)
_cell_length_c                   19.9779(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.892(3)
_cell_angle_gamma                90.00
_cell_volume                     1520.28(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    14826
_cell_measurement_theta_min      2.943
_cell_measurement_theta_max      32.897

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1048
_exptl_absorpt_coefficient_mu    2.618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5606
_exptl_absorpt_correction_T_max  0.6500
_exptl_absorpt_process_details   
;
Higashi, T. (1995) Progrom for Absorption Correcttion.
Rigaku Corporation, Tokyo, Japan.
;
_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  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'Omega scan'
_diffrn_detector_area_resol_mean 10.0
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            8269
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_av_sigmaI/netI    0.0187
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.94
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2682
_reflns_number_gt                2474
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0296P)²+1.0646P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       0
_refine_ls_number_reflns         2682
_refine_ls_number_parameters     242
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0211
_refine_ls_wR_factor_ref         0.0537
_refine_ls_wR_factor_gt          0.0522
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001

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 0.985903(15) 0.57185(4) 0.100034(10) 0.03770(9) Uani 1 1 d . . .
Ag2 Ag 1.0000 1.0000 0.0000 0.03568(10) Uani 1 2 d S . .
Ag3 Ag 0.5000 2.0000 0.0000 0.05798(12) Uani 1 2 d S . .
O1 O 0.85980(13) 0.7657(4) 0.11438(10) 0.0401(5) Uani 1 1 d . . .
O2 O 0.87530(13) 1.0967(4) 0.05104(9) 0.0349(4) Uani 1 1 d . . .
O3 O 0.59609(13) 1.6824(4) 0.02380(9) 0.0356(4) Uani 1 1 d . . .
O4 O 0.49303(14) 1.6730(4) 0.09958(10) 0.0477(6) Uani 1 1 d . . .
O5 O 0.50529(16) 1.0168(4) 0.26180(11) 0.0529(6) Uani 1 1 d . . .
O6 O 0.61409(17) 0.7412(5) 0.26578(12) 0.0695(8) Uani 1 1 d . . .
N1 N 1.10963(16) 0.3732(4) 0.08415(10) 0.0319(5) Uani 1 1 d . . .
N2 N 1.25622(17) 0.3170(5) 0.05518(12) 0.0376(6) Uani 1 1 d . . .
N3 N 0.57731(17) 0.9280(5) 0.24253(11) 0.0381(6) Uani 1 1 d . . .
C1 C 1.1760(2) 0.4498(5) 0.04683(14) 0.0375(7) Uani 1 1 d . . .
H1 H 1.1674 0.5826 0.0179 0.045 Uiso 1 1 calc R . .
C2 C 1.15104(18) 0.1730(5) 0.12025(12) 0.0279(5) Uani 1 1 d . . .
C3 C 1.1154(2) 0.0237(5) 0.16739(13) 0.0343(6) Uani 1 1 d . . .
H3 H 1.0539 0.0456 0.1800 0.041 Uiso 1 1 calc R . .
C4 C 1.1761(2) -0.1605(6) 0.19486(14) 0.0414(7) Uani 1 1 d . . .
H4 H 1.1551 -0.2634 0.2271 0.050 Uiso 1 1 calc R . .
C5 C 1.2675(2) -0.1942(6) 0.17526(15) 0.0455(7) Uani 1 1 d . . .
H5 H 1.3055 -0.3211 0.1944 0.055 Uiso 1 1 calc R . .
C6 C 1.3040(2) -0.0474(6) 0.12872(15) 0.0410(7) Uani 1 1 d . . .
H6 H 1.3655 -0.0706 0.1162 0.049 Uiso 1 1 calc R . .
C7 C 1.24372(19) 0.1371(5) 0.10157(13) 0.0317(6) Uani 1 1 d . . .
C8 C 0.74297(18) 1.0719(5) 0.11507(12) 0.0253(5) Uani 1 1 d . . .
C9 C 0.69693(18) 1.2759(5) 0.08495(12) 0.0288(6) Uani 1 1 d . . .
H9 H 0.7231 1.3525 0.0498 0.035 Uiso 1 1 calc R . .
C10 C 0.61316(18) 1.3671(5) 0.10614(12) 0.0267(5) Uani 1 1 d . . .
C11 C 0.57415(18) 1.2549(5) 0.15906(12) 0.0300(6) Uani 1 1 d . . .
H11 H 0.5184 1.3146 0.1745 0.036 Uiso 1 1 calc R . .
C12 C 0.62057(19) 1.0521(5) 0.18793(12) 0.0278(6) Uani 1 1 d . . .
C13 C 0.70377(18) 0.9577(5) 0.16754(12) 0.0270(5) Uani 1 1 d . . .
H13 H 0.7330 0.8208 0.1884 0.032 Uiso 1 1 calc R . .
C14 C 0.83355(19) 0.9706(5) 0.09157(12) 0.0272(6) Uani 1 1 d . . .
C15 C 0.56247(19) 1.5908(5) 0.07465(13) 0.0303(6) Uani 1 1 d . . .
H2 H 1.304(2) 0.336(6) 0.0341(15) 0.044(9) Uiso 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.098(2) . ?
Ag1 O1 2.1049(17) . ?
Ag1 Ag2 3.1089(2) . ?
Ag2 O2 2.1844(17) 3_775 ?
Ag2 O2 2.1844(17) . ?
Ag2 Ag1 3.1089(2) 3_775 ?
Ag3 O3 2.2175(18) 3_695 ?
Ag3 O3 2.2175(18) . ?
O1 C14 1.253(3) . ?
O2 C14 1.260(3) . ?
O3 C15 1.273(3) . ?
O4 C15 1.227(3) . ?
O5 N3 1.220(3) . ?
O6 N3 1.215(3) . ?
N1 C1 1.325(4) . ?
N1 C2 1.401(3) . ?
N2 C1 1.330(4) . ?
N2 C7 1.380(4) . ?
N2 H2 0.84(3) . ?
N3 C12 1.476(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.386(4) . ?
C2 C7 1.401(3) . ?
C3 C4 1.389(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.374(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.386(4) . ?
C6 H6 0.9300 . ?
C8 C13 1.389(3) . ?
C8 C9 1.392(4) . ?
C8 C14 1.506(3) . ?
C9 C10 1.383(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.390(3) . ?
C10 C15 1.517(4) . ?
C11 C12 1.380(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.377(4) . ?
C13 H13 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 O1 178.65(9) . . ?
N1 Ag1 Ag2 100.38(6) . . ?
O1 Ag1 Ag2 79.78(5) . . ?
O2 Ag2 O2 180.00(8) 3_775 . ?
O2 Ag2 Ag1 76.64(5) 3_775 3_775 ?
O2 Ag2 Ag1 103.36(5) . 3_775 ?
O2 Ag2 Ag1 103.36(5) 3_775 . ?
O2 Ag2 Ag1 76.64(5) . . ?
Ag1 Ag2 Ag1 180.000(6) 3_775 . ?
O3 Ag3 O3 180.0 3_695 . ?
C14 O1 Ag1 128.16(17) . . ?
C14 O2 Ag2 128.39(17) . . ?
C15 O3 Ag3 102.21(15) . . ?
C1 N1 C2 105.5(2) . . ?
C1 N1 Ag1 124.21(19) . . ?
C2 N1 Ag1 128.78(16) . . ?
C1 N2 C7 107.8(2) . . ?
C1 N2 H2 125(2) . . ?
C7 N2 H2 127(2) . . ?
O6 N3 O5 122.9(2) . . ?
O6 N3 C12 118.8(2) . . ?
O5 N3 C12 118.3(2) . . ?
N1 C1 N2 112.9(2) . . ?
N1 C1 H1 123.6 . . ?
N2 C1 H1 123.6 . . ?
C3 C2 C7 121.0(2) . . ?
C3 C2 N1 131.0(2) . . ?
C7 C2 N1 108.0(2) . . ?
C2 C3 C4 116.7(3) . . ?
C2 C3 H3 121.7 . . ?
C4 C3 H3 121.7 . . ?
C5 C4 C3 121.4(3) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C6 C5 C4 122.6(3) . . ?
C6 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
C5 C6 C7 116.0(3) . . ?
C5 C6 H6 122.0 . . ?
C7 C6 H6 122.0 . . ?
N2 C7 C6 131.9(3) . . ?
N2 C7 C2 105.8(2) . . ?
C6 C7 C2 122.3(3) . . ?
C13 C8 C9 119.2(2) . . ?
C13 C8 C14 119.3(2) . . ?
C9 C8 C14 121.6(2) . . ?
C10 C9 C8 121.5(2) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 119.6(2) . . ?
C9 C10 C15 122.4(2) . . ?
C11 C10 C15 118.0(2) . . ?
C12 C11 C10 118.0(2) . . ?
C12 C11 H11 121.0 . . ?
C10 C11 H11 121.0 . . ?
C13 C12 C11 123.4(2) . . ?
C13 C12 N3 118.6(2) . . ?
C11 C12 N3 118.0(2) . . ?
C12 C13 C8 118.4(2) . . ?
C12 C13 H13 120.8 . . ?
C8 C13 H13 120.8 . . ?
O1 C14 O2 126.2(2) . . ?
O1 C14 C8 116.0(2) . . ?
O2 C14 C8 117.8(2) . . ?
O4 C15 O3 124.2(2) . . ?
O4 C15 C10 118.8(2) . . ?
O3 C15 C10 117.0(2) . . ?

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
C9 H9 O2 0.93 2.54 2.832(3) 98.3 .
C1 H1 O2 0.93 2.27 3.196(3) 172.2 3_775
N2 H2 O3 0.84(3) 1.91(3) 2.741(3) 168(3) 3_775
C6 H6 O4 0.93 2.32 3.165(3) 150.1 1_635
C4 H4 O5 0.93 2.57 3.289(4) 134.0 2_635

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.714
_refine_diff_density_rms         0.079
_database_code_depnum_ccdc_archive 'CCDC 917394'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_3
#TrackingRef 'compounds.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H19 Ag6 N9 O6'
_chemical_formula_weight         1320.82

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   P21/c

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

_cell_length_a                   14.4128(5)
_cell_length_b                   17.2474(5)
_cell_length_c                   14.1954(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.508(2)
_cell_angle_gamma                90.00
_cell_volume                     3517.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8302
_cell_measurement_theta_min      2.270
_cell_measurement_theta_max      25.129

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2512
_exptl_absorpt_coefficient_mu    3.338
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4550
_exptl_absorpt_correction_T_max  0.5271
_exptl_absorpt_process_details   
;
Higashi, T. (1995) Progrom for Absorption Correcttion.
Rigaku Corporation, Tokyo, Japan.
;
_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  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'Omega scan'
_diffrn_detector_area_resol_mean 10.0
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            37720
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         27.52
_reflns_number_total             8072
_reflns_number_gt                5203
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0912P)²+8.2032P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    contr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       0
_refine_ls_number_reflns         8072
_refine_ls_number_parameters     514
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0554
_refine_ls_wR_factor_ref         0.1743
_refine_ls_wR_factor_gt          0.1532
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.060
_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 0.52188(4) 0.27709(4) -0.04394(4) 0.04543(19) Uani 1 1 d . . .
Ag2 Ag 0.36559(5) 0.08595(3) 0.35521(4) 0.04569(19) Uani 1 1 d . . .
Ag3 Ag 0.36573(5) 0.09006(3) 0.13056(5) 0.0491(2) Uani 1 1 d . . .
Ag4 Ag 0.52543(5) 0.27355(4) 0.20518(6) 0.0614(2) Uani 1 1 d . . .
Ag5 Ag 0.55023(5) -0.07756(4) 0.07352(6) 0.0648(2) Uani 1 1 d . . .
Ag6 Ag 0.56893(6) -0.06364(5) 0.40737(9) 0.0921(4) Uani 1 1 d . . .
O1 O 0.5540(4) 0.0558(3) 0.0559(4) 0.0482(13) Uani 1 1 d U . .
O2 O 0.6136(4) 0.1720(4) 0.0328(5) 0.0678(17) Uani 1 1 d U . .
O3 O 0.5131(4) 0.1388(3) 0.2293(4) 0.0511(13) Uani 1 1 d U . .
O4 O 0.5379(4) 0.0496(3) 0.3372(4) 0.0583(15) Uani 1 1 d U . .
O5 O 1.0040(6) 0.0738(6) 0.2642(8) 0.125(4) Uani 1 1 d U . .
O6 O 0.9647(7) 0.0997(8) 0.1118(9) 0.145(4) Uani 1 1 d U . .
N1 N 0.6169(4) 0.3589(4) 0.0280(4) 0.0384(14) Uani 1 1 d . . .
N2 N 0.6556(4) 0.4712(3) 0.0915(4) 0.0377(14) Uani 1 1 d . . .
N3 N 0.3348(4) 0.2935(3) -0.1629(4) 0.0327(13) Uani 1 1 d . . .
N4 N 0.3657(4) 0.1698(3) -0.1356(4) 0.0347(13) Uani 1 1 d . . .
N5 N 0.3484(5) -0.0292(4) 0.1599(5) 0.0440(15) Uani 1 1 d . . .
N6 N 0.3863(5) -0.1447(4) 0.2184(4) 0.0428(15) Uani 1 1 d . . .
N7 N 0.3336(4) 0.2068(4) 0.0937(4) 0.0397(15) Uani 1 1 d . . .
N8 N 0.3486(4) 0.3333(4) 0.0921(5) 0.0427(15) Uani 1 1 d . . .
N9 N 0.9454(8) 0.0872(6) 0.1948(9) 0.088(3) Uani 1 1 d . . .
C1 C 0.5869(4) 0.4269(3) 0.0559(5) 0.0264(14) Uani 1 1 d . . .
C2 C 0.7099(5) 0.3588(4) 0.0473(5) 0.0328(15) Uani 1 1 d . . .
C3 C 0.7780(6) 0.3012(5) 0.0325(6) 0.0443(19) Uani 1 1 d . . .
H3B H 0.7617 0.2534 0.0058 0.053 Uiso 1 1 calc R . .
C4 C 0.8674(6) 0.3196(5) 0.0592(7) 0.059(2) Uani 1 1 d . . .
H4A H 0.9135 0.2832 0.0505 0.070 Uiso 1 1 calc R . .
C5 C 0.8931(6) 0.3916(6) 0.0996(7) 0.063(3) Uani 1 1 d . . .
H5A H 0.9556 0.4014 0.1170 0.075 Uiso 1 1 calc R . .
C6 C 0.8273(6) 0.4486(5) 0.1142(6) 0.0468(19) Uani 1 1 d . . .
H6A H 0.8438 0.4966 0.1403 0.056 Uiso 1 1 calc R . .
C7 C 0.7356(5) 0.4293(4) 0.0875(5) 0.0338(16) Uani 1 1 d . . .
C8 C 0.3982(4) 0.2431(3) -0.1276(4) 0.0227(13) Uani 1 1 d . . .
C9 C 0.2577(5) 0.2525(4) -0.1944(5) 0.0323(15) Uani 1 1 d . . .
C10 C 0.1718(5) 0.2752(5) -0.2370(5) 0.0401(17) Uani 1 1 d . . .
H10A H 0.1586 0.3270 -0.2505 0.048 Uiso 1 1 calc R . .
C11 C 0.1075(6) 0.2184(5) -0.2582(6) 0.047(2) Uani 1 1 d . . .
H11A H 0.0489 0.2319 -0.2853 0.057 Uiso 1 1 calc R . .
C12 C 0.1284(6) 0.1385(5) -0.2394(6) 0.050(2) Uani 1 1 d . . .
H12A H 0.0833 0.1013 -0.2558 0.060 Uiso 1 1 calc R . .
C13 C 0.2119(6) 0.1154(5) -0.1987(6) 0.0456(19) Uani 1 1 d . . .
H13A H 0.2252 0.0635 -0.1860 0.055 Uiso 1 1 calc R . .
C14 C 0.2781(5) 0.1752(4) -0.1764(5) 0.0333(15) Uani 1 1 d . . .
C15 C 0.4168(5) -0.0747(4) 0.1966(5) 0.0392(17) Uani 1 1 d . . .
C16 C 0.2691(5) -0.0716(4) 0.1577(5) 0.0374(17) Uani 1 1 d . . .
C17 C 0.1772(6) -0.0534(5) 0.1267(6) 0.052(2) Uani 1 1 d . . .
H17A H 0.1608 -0.0043 0.1039 0.063 Uiso 1 1 calc R . .
C18 C 0.1124(7) -0.1110(7) 0.1314(7) 0.067(3) Uani 1 1 d . . .
H18A H 0.0509 -0.1013 0.1099 0.080 Uiso 1 1 calc R . .
C19 C 0.1369(7) -0.1844(6) 0.1679(7) 0.065(3) Uani 1 1 d . . .
H19A H 0.0906 -0.2218 0.1707 0.077 Uiso 1 1 calc R . .
C20 C 0.2254(6) -0.2031(5) 0.1993(6) 0.050(2) Uani 1 1 d . . .
H20A H 0.2408 -0.2519 0.2234 0.061 Uiso 1 1 calc R . .
C21 C 0.2924(6) -0.1445(4) 0.1932(5) 0.0377(17) Uani 1 1 d . . .
C22 C 0.3905(5) 0.2672(4) 0.1155(5) 0.0272(14) Uani 1 1 d . . .
C23 C 0.2532(5) 0.2359(4) 0.0545(5) 0.0360(16) Uani 1 1 d . . .
C24 C 0.1698(6) 0.2007(5) 0.0211(6) 0.047(2) Uani 1 1 d . . .
H24A H 0.1635 0.1470 0.0217 0.056 Uiso 1 1 calc R . .
C25 C 0.0987(7) 0.2465(7) -0.0123(6) 0.059(2) Uani 1 1 d . . .
H25A H 0.0421 0.2240 -0.0332 0.071 Uiso 1 1 calc R . .
C26 C 0.1087(7) 0.3277(7) -0.0161(6) 0.066(3) Uani 1 1 d . . .
H26A H 0.0592 0.3573 -0.0422 0.080 Uiso 1 1 calc R . .
C27 C 0.1885(6) 0.3645(5) 0.0174(6) 0.055(2) Uani 1 1 d . . .
H27A H 0.1942 0.4182 0.0161 0.066 Uiso 1 1 calc R . .
C28 C 0.2614(5) 0.3165(4) 0.0539(5) 0.0398(17) Uani 1 1 d . . .
C29 C 0.6864(5) 0.0974(4) 0.1544(5) 0.0371(16) Uani 1 1 d . . .
C30 C 0.6642(5) 0.0852(4) 0.2475(5) 0.0376(17) Uani 1 1 d . . .
C31 C 0.7349(6) 0.0725(5) 0.3172(6) 0.048(2) Uani 1 1 d . . .
H31A H 0.7193 0.0627 0.3784 0.058 Uiso 1 1 calc R . .
C32 C 0.8268(7) 0.0737(5) 0.3001(7) 0.059(2) Uani 1 1 d . . .
H32A H 0.8732 0.0661 0.3485 0.070 Uiso 1 1 calc R . .
C33 C 0.8478(6) 0.0864(5) 0.2102(8) 0.056(2) Uani 1 1 d . . .
C34 C 0.7794(6) 0.0979(4) 0.1349(6) 0.0458(19) Uani 1 1 d . . .
H34A H 0.7962 0.1057 0.0736 0.055 Uiso 1 1 calc R . .
C35 C 0.6126(5) 0.1104(4) 0.0752(5) 0.0376(16) Uani 1 1 d . . .
C36 C 0.5654(6) 0.0911(4) 0.2726(5) 0.0426(19) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C8 2.144(6) . ?
Ag1 N1 2.166(6) . ?
Ag1 O2 2.448(6) . ?
Ag1 Ag2 3.4925(9) 4_565 ?
Ag1 Ag4 3.5331(10) . ?
Ag1 Ag5 3.6098(9) 3_655 ?
Ag1 Ag6 3.6629(12) 2_655 ?
Ag1 Ag4 3.6712(10) 4_565 ?
Ag2 N3 2.137(5) 4_566 ?
Ag2 N2 2.150(6) 2_645 ?
Ag2 O4 2.593(6) . ?
Ag2 Ag3 3.1899(9) . ?
Ag2 Ag6 3.4494(14) 3_656 ?
Ag2 Ag1 3.4925(9) 4_566 ?
Ag3 N5 2.117(6) . ?
Ag3 N7 2.122(6) . ?
Ag3 O3 2.591(6) . ?
Ag3 Ag5 3.2339(11) 3_655 ?
Ag4 N6 2.137(6) 2_655 ?
Ag4 C22 2.242(6) . ?
Ag4 O3 2.358(6) . ?
Ag4 Ag6 3.4562(12) 2_655 ?
Ag4 Ag1 3.6712(10) 4_566 ?
Ag5 N4 2.146(6) 3_655 ?
Ag5 O1 2.311(5) 3_655 ?
Ag5 O1 2.315(5) . ?
Ag5 C15 2.698(8) . ?
Ag5 Ag3 3.2339(11) 3_655 ?
Ag5 Ag1 3.6098(9) 3_655 ?
Ag5 Ag5 3.6242(13) 3_655 ?
Ag6 N8 2.138(6) 2_645 ?
Ag6 O4 2.222(6) . ?
Ag6 C1 2.351(6) 2_645 ?
Ag6 Ag2 3.4494(14) 3_656 ?
Ag6 Ag4 3.4562(12) 2_645 ?
Ag6 Ag1 3.6629(12) 2_645 ?
O1 C35 1.280(9) . ?
O1 Ag5 2.311(5) 3_655 ?
O2 C35 1.222(9) . ?
O3 C36 1.246(10) . ?
O4 C36 1.251(9) . ?
O5 N9 1.268(14) . ?
O6 N9 1.250(14) . ?
N1 C1 1.321(8) . ?
N1 C2 1.347(9) . ?
N2 C1 1.318(9) . ?
N2 C7 1.366(9) . ?
N2 Ag2 2.150(6) 2_655 ?
N3 C8 1.331(8) . ?
N3 C9 1.364(9) . ?
N3 Ag2 2.137(5) 4_565 ?
N4 C14 1.350(9) . ?
N4 C8 1.350(8) . ?
N4 Ag5 2.146(6) 3_655 ?
N5 C15 1.334(10) . ?
N5 C16 1.355(10) . ?
N6 C15 1.329(10) . ?
N6 C21 1.372(10) . ?
N6 Ag4 2.137(6) 2_645 ?
N7 C23 1.344(10) . ?
N7 C22 1.347(9) . ?
N8 C22 1.321(9) . ?
N8 C28 1.361(10) . ?
N8 Ag6 2.138(6) 2_655 ?
N9 C33 1.440(14) . ?
C1 Ag6 2.351(6) 2_655 ?
C2 C7 1.380(10) . ?
C2 C3 1.423(10) . ?
C3 C4 1.352(12) . ?
C3 H3B 0.9300 . ?
C4 C5 1.405(14) . ?
C4 H4A 0.9300 . ?
C5 C6 1.394(13) . ?
C5 H5A 0.9300 . ?
C6 C7 1.386(11) . ?
C6 H6A 0.9300 . ?
C9 C14 1.385(10) . ?
C9 C10 1.391(10) . ?
C10 C11 1.366(11) . ?
C10 H10A 0.9300 . ?
C11 C12 1.431(12) . ?
C11 H11A 0.9300 . ?
C12 C13 1.353(12) . ?
C12 H12A 0.9300 . ?
C13 C14 1.423(10) . ?
C13 H13A 0.9300 . ?
C16 C21 1.385(10) . ?
C16 C17 1.399(11) . ?
C17 C18 1.369(14) . ?
C17 H17A 0.9300 . ?
C18 C19 1.403(15) . ?
C18 H18A 0.9300 . ?
C19 C20 1.357(13) . ?
C19 H19A 0.9300 . ?
C20 C21 1.406(11) . ?
C20 H20A 0.9300 . ?
C23 C28 1.395(11) . ?
C23 C24 1.395(11) . ?
C24 C25 1.350(13) . ?
C24 H24A 0.9300 . ?
C25 C26 1.410(16) . ?
C25 H25A 0.9300 . ?
C26 C27 1.367(13) . ?
C26 H26A 0.9300 . ?
C27 C28 1.405(11) . ?
C27 H27A 0.9300 . ?
C29 C34 1.390(11) . ?
C29 C30 1.399(11) . ?
C29 C35 1.503(11) . ?
C30 C31 1.381(11) . ?
C30 C36 1.498(11) . ?
C31 C32 1.365(13) . ?
C31 H31A 0.9300 . ?
C32 C33 1.352(14) . ?
C32 H32A 0.9300 . ?
C33 C34 1.410(13) . ?
C34 H34A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C8 Ag1 N1 155.0(2) . . ?
C8 Ag1 O2 116.1(2) . . ?
N1 Ag1 O2 88.5(2) . . ?
C8 Ag1 Ag2 58.46(16) . 4_565 ?
N1 Ag1 Ag2 96.66(17) . 4_565 ?
O2 Ag1 Ag2 172.54(15) . 4_565 ?
C8 Ag1 Ag4 119.70(17) . . ?
N1 Ag1 Ag4 65.20(16) . . ?
O2 Ag1 Ag4 64.96(18) . . ?
Ag2 Ag1 Ag4 112.34(2) 4_565 . ?
C8 Ag1 Ag5 57.01(16) . 3_655 ?
N1 Ag1 Ag5 147.33(17) . 3_655 ?
O2 Ag1 Ag5 59.10(14) . 3_655 ?
Ag2 Ag1 Ag5 115.25(2) 4_565 3_655 ?
Ag4 Ag1 Ag5 94.67(2) . 3_655 ?
C8 Ag1 Ag6 100.50(16) . 2_655 ?
N1 Ag1 Ag6 60.04(17) . 2_655 ?
O2 Ag1 Ag6 121.49(17) . 2_655 ?
Ag2 Ag1 Ag6 57.58(2) 4_565 2_655 ?
Ag4 Ag1 Ag6 57.37(2) . 2_655 ?
Ag5 Ag1 Ag6 131.68(3) 3_655 2_655 ?
C8 Ag1 Ag4 58.14(17) . 4_565 ?
N1 Ag1 Ag4 123.77(16) . 4_565 ?
O2 Ag1 Ag4 101.99(18) . 4_565 ?
Ag2 Ag1 Ag4 79.68(2) 4_565 4_565 ?
Ag4 Ag1 Ag4 165.16(2) . 4_565 ?
Ag5 Ag1 Ag4 71.71(2) 3_655 4_565 ?
Ag6 Ag1 Ag4 136.44(3) 2_655 4_565 ?
N3 Ag2 N2 154.7(2) 4_566 2_645 ?
N3 Ag2 O4 114.5(2) 4_566 . ?
N2 Ag2 O4 88.6(2) 2_645 . ?
N3 Ag2 Ag3 82.80(16) 4_566 . ?
N2 Ag2 Ag3 112.57(16) 2_645 . ?
O4 Ag2 Ag3 80.26(14) . . ?
N3 Ag2 Ag6 105.32(16) 4_566 3_656 ?
N2 Ag2 Ag6 65.71(16) 2_645 3_656 ?
O4 Ag2 Ag6 83.04(14) . 3_656 ?
Ag3 Ag2 Ag6 163.27(3) . 3_656 ?
N3 Ag2 Ag1 60.81(16) 4_566 4_566 ?
N2 Ag2 Ag1 125.68(17) 2_645 4_566 ?
O4 Ag2 Ag1 67.17(14) . 4_566 ?
Ag3 Ag2 Ag1 110.11(2) . 4_566 ?
Ag6 Ag2 Ag1 63.69(2) 3_656 4_566 ?
N5 Ag3 N7 160.6(3) . . ?
N5 Ag3 O3 108.2(2) . . ?
N7 Ag3 O3 88.8(2) . . ?
N5 Ag3 Ag2 76.85(18) . . ?
N7 Ag3 Ag2 104.51(17) . . ?
O3 Ag3 Ag2 62.04(13) . . ?
N5 Ag3 Ag5 99.77(18) . 3_655 ?
N7 Ag3 Ag5 86.10(17) . 3_655 ?
O3 Ag3 Ag5 99.07(13) . 3_655 ?
Ag2 Ag3 Ag5 157.49(3) . 3_655 ?
N6 Ag4 C22 140.9(2) 2_655 . ?
N6 Ag4 O3 128.7(2) 2_655 . ?
C22 Ag4 O3 87.8(2) . . ?
N6 Ag4 Ag6 84.01(17) 2_655 2_655 ?
C22 Ag4 Ag6 59.01(16) . 2_655 ?
O3 Ag4 Ag6 146.77(14) . 2_655 ?
N6 Ag4 Ag1 117.27(17) 2_655 . ?
C22 Ag4 Ag1 59.27(17) . . ?
O3 Ag4 Ag1 99.62(15) . . ?
Ag6 Ag4 Ag1 63.20(3) 2_655 . ?
N6 Ag4 Ag1 73.58(17) 2_655 4_566 ?
C22 Ag4 Ag1 117.48(17) . 4_566 ?
O3 Ag4 Ag1 67.51(15) . 4_566 ?
Ag6 Ag4 Ag1 127.35(3) 2_655 4_566 ?
Ag1 Ag4 Ag1 167.12(2) . 4_566 ?
N4 Ag5 O1 139.3(2) 3_655 3_655 ?
N4 Ag5 O1 139.7(2) 3_655 . ?
O1 Ag5 O1 76.8(2) 3_655 . ?
N4 Ag5 C15 98.9(2) 3_655 . ?
O1 Ag5 C15 93.4(2) 3_655 . ?
O1 Ag5 C15 94.4(2) . . ?
N4 Ag5 Ag3 94.56(16) 3_655 3_655 ?
O1 Ag5 Ag3 64.19(16) 3_655 3_655 ?
O1 Ag5 Ag3 87.46(15) . 3_655 ?
C15 Ag5 Ag3 156.55(17) . 3_655 ?
N4 Ag5 Ag1 59.31(15) 3_655 3_655 ?
O1 Ag5 Ag1 84.20(13) 3_655 3_655 ?
O1 Ag5 Ag1 160.70(13) . 3_655 ?
C15 Ag5 Ag1 83.06(16) . 3_655 ?
Ag3 Ag5 Ag1 87.53(2) 3_655 3_655 ?
N4 Ag5 Ag5 166.07(17) 3_655 3_655 ?
O1 Ag5 Ag5 38.46(13) 3_655 3_655 ?
O1 Ag5 Ag5 38.38(13) . 3_655 ?
C15 Ag5 Ag5 94.98(16) . 3_655 ?
Ag3 Ag5 Ag5 72.19(3) 3_655 3_655 ?
Ag1 Ag5 Ag5 122.57(4) 3_655 3_655 ?
N8 Ag6 O4 145.6(2) 2_645 . ?
N8 Ag6 C1 118.8(2) 2_645 2_645 ?
O4 Ag6 C1 89.9(2) . 2_645 ?
N8 Ag6 Ag2 78.12(17) 2_645 3_656 ?
O4 Ag6 Ag2 124.48(17) . 3_656 ?
C1 Ag6 Ag2 88.19(16) 2_645 3_656 ?
N8 Ag6 Ag4 61.63(18) 2_645 2_645 ?
O4 Ag6 Ag4 116.67(17) . 2_645 ?
C1 Ag6 Ag4 72.43(16) 2_645 2_645 ?
Ag2 Ag6 Ag4 115.37(3) 3_656 2_645 ?
N8 Ag6 Ag1 66.18(17) 2_645 2_645 ?
O4 Ag6 Ag1 145.97(17) . 2_645 ?
C1 Ag6 Ag1 56.17(15) 2_645 2_645 ?
Ag2 Ag6 Ag1 58.73(2) 3_656 2_645 ?
Ag4 Ag6 Ag1 59.43(2) 2_645 2_645 ?
C35 O1 Ag5 115.3(5) . 3_655 ?
C35 O1 Ag5 136.8(5) . . ?
Ag5 O1 Ag5 103.2(2) 3_655 . ?
C35 O2 Ag1 146.8(6) . . ?
C36 O3 Ag4 132.3(5) . . ?
C36 O3 Ag3 119.5(5) . . ?
Ag4 O3 Ag3 108.0(2) . . ?
C36 O4 Ag6 140.0(6) . . ?
C36 O4 Ag2 107.2(5) . . ?
Ag6 O4 Ag2 109.2(2) . . ?
C1 N1 C2 106.5(6) . . ?
C1 N1 Ag1 120.7(5) . . ?
C2 N1 Ag1 132.6(5) . . ?
C1 N2 C7 106.8(6) . . ?
C1 N2 Ag2 123.1(5) . 2_655 ?
C7 N2 Ag2 130.2(5) . 2_655 ?
C8 N3 C9 107.6(5) . . ?
C8 N3 Ag2 117.5(4) . 4_565 ?
C9 N3 Ag2 134.5(5) . 4_565 ?
C14 N4 C8 106.2(6) . . ?
C14 N4 Ag5 134.9(5) . 3_655 ?
C8 N4 Ag5 118.6(4) . 3_655 ?
C15 N5 C16 106.7(6) . . ?
C15 N5 Ag3 123.6(5) . . ?
C16 N5 Ag3 129.2(5) . . ?
C15 N6 C21 105.9(6) . . ?
C15 N6 Ag4 121.5(5) . 2_645 ?
C21 N6 Ag4 132.0(5) . 2_645 ?
C23 N7 C22 107.2(6) . . ?
C23 N7 Ag3 128.4(5) . . ?
C22 N7 Ag3 124.1(5) . . ?
C22 N8 C28 107.8(6) . . ?
C22 N8 Ag6 118.3(5) . 2_655 ?
C28 N8 Ag6 132.4(5) . 2_655 ?
O6 N9 O5 125.4(12) . . ?
O6 N9 C33 115.9(12) . . ?
O5 N9 C33 118.6(11) . . ?
N2 C1 N1 112.1(6) . . ?
N2 C1 Ag6 125.2(5) . 2_655 ?
N1 C1 Ag6 117.9(5) . 2_655 ?
N1 C2 C7 108.2(6) . . ?
N1 C2 C3 131.1(7) . . ?
C7 C2 C3 120.7(7) . . ?
C4 C3 C2 116.6(8) . . ?
C4 C3 H3B 121.7 . . ?
C2 C3 H3B 121.7 . . ?
C3 C4 C5 122.5(8) . . ?
C3 C4 H4A 118.8 . . ?
C5 C4 H4A 118.8 . . ?
C6 C5 C4 121.5(8) . . ?
C6 C5 H5A 119.2 . . ?
C4 C5 H5A 119.2 . . ?
C7 C6 C5 115.8(8) . . ?
C7 C6 H6A 122.1 . . ?
C5 C6 H6A 122.1 . . ?
N2 C7 C2 106.4(6) . . ?
N2 C7 C6 130.6(7) . . ?
C2 C7 C6 122.9(7) . . ?
N3 C8 N4 110.9(5) . . ?
N3 C8 Ag1 123.1(4) . . ?
N4 C8 Ag1 124.8(4) . . ?
N3 C9 C14 106.5(6) . . ?
N3 C9 C10 132.2(7) . . ?
C14 C9 C10 121.3(7) . . ?
C11 C10 C9 117.3(7) . . ?
C11 C10 H10A 121.3 . . ?
C9 C10 H10A 121.3 . . ?
C10 C11 C12 121.3(8) . . ?
C10 C11 H11A 119.3 . . ?
C12 C11 H11A 119.3 . . ?
C13 C12 C11 122.0(8) . . ?
C13 C12 H12A 119.0 . . ?
C11 C12 H12A 119.0 . . ?
C12 C13 C14 116.2(7) . . ?
C12 C13 H13A 121.9 . . ?
C14 C13 H13A 121.9 . . ?
N4 C14 C9 108.9(6) . . ?
N4 C14 C13 129.3(7) . . ?
C9 C14 C13 121.8(7) . . ?
N6 C15 N5 112.2(7) . . ?
N6 C15 Ag5 113.6(5) . . ?
N5 C15 Ag5 107.5(5) . . ?
N5 C16 C21 107.5(7) . . ?
N5 C16 C17 131.4(8) . . ?
C21 C16 C17 121.0(8) . . ?
C18 C17 C16 117.0(9) . . ?
C18 C17 H17A 121.5 . . ?
C16 C17 H17A 121.5 . . ?
C17 C18 C19 121.4(9) . . ?
C17 C18 H18A 119.3 . . ?
C19 C18 H18A 119.3 . . ?
C20 C19 C18 122.6(9) . . ?
C20 C19 H19A 118.7 . . ?
C18 C19 H19A 118.7 . . ?
C19 C20 C21 116.2(8) . . ?
C19 C20 H20A 121.9 . . ?
C21 C20 H20A 121.9 . . ?
N6 C21 C16 107.6(7) . . ?
N6 C21 C20 130.6(7) . . ?
C16 C21 C20 121.8(8) . . ?
N8 C22 N7 110.7(6) . . ?
N8 C22 Ag4 117.4(5) . . ?
N7 C22 Ag4 130.8(5) . . ?
N7 C23 C28 107.7(7) . . ?
N7 C23 C24 132.0(7) . . ?
C28 C23 C24 120.2(7) . . ?
C25 C24 C23 118.3(8) . . ?
C25 C24 H24A 120.8 . . ?
C23 C24 H24A 120.8 . . ?
C24 C25 C26 121.2(9) . . ?
C24 C25 H25A 119.4 . . ?
C26 C25 H25A 119.4 . . ?
C27 C26 C25 122.3(9) . . ?
C27 C26 H26A 118.8 . . ?
C25 C26 H26A 118.8 . . ?
C26 C27 C28 116.0(9) . . ?
C26 C27 H27A 122.0 . . ?
C28 C27 H27A 122.0 . . ?
N8 C28 C23 106.6(7) . . ?
N8 C28 C27 131.4(8) . . ?
C23 C28 C27 121.9(8) . . ?
C34 C29 C30 119.0(7) . . ?
C34 C29 C35 119.1(7) . . ?
C30 C29 C35 121.9(7) . . ?
C31 C30 C29 119.3(8) . . ?
C31 C30 C36 120.1(8) . . ?
C29 C30 C36 120.5(7) . . ?
C32 C31 C30 122.8(9) . . ?
C32 C31 H31A 118.6 . . ?
C30 C31 H31A 118.6 . . ?
C33 C32 C31 117.6(8) . . ?
C33 C32 H32A 121.2 . . ?
C31 C32 H32A 121.2 . . ?
C32 C33 C34 122.9(8) . . ?
C32 C33 N9 116.1(10) . . ?
C34 C33 N9 121.1(10) . . ?
C29 C34 C33 118.4(8) . . ?
C29 C34 H34A 120.8 . . ?
C33 C34 H34A 120.8 . . ?
O2 C35 O1 124.5(7) . . ?
O2 C35 C29 117.7(7) . . ?
O1 C35 C29 117.8(6) . . ?
O3 C36 O4 121.6(8) . . ?
O3 C36 C30 118.5(7) . . ?
O4 C36 C30 119.9(7) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         3.773
_refine_diff_density_min         -2.322
_refine_diff_density_rms         0.175
_database_code_depnum_ccdc_archive 'CCDC 917393'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C13 H9 Ag2 N2 O7'
_chemical_formula_weight         520.96

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   C2/c

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'
'-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                   12.526(2)
_cell_length_b                   7.8162(14)
_cell_length_c                   28.984(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.117(2)
_cell_angle_gamma                90.00
_cell_volume                     2821.5(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4095
_cell_measurement_theta_min      0.513
_cell_measurement_theta_max      0.602

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLORLESS
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.453
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2008
_exptl_absorpt_coefficient_mu    2.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5511
_exptl_absorpt_correction_T_max  0.6309
_exptl_absorpt_process_details   
;
Higashi, T. (1995) Progrom for Absorption Correcttion.
Rigaku Corporation, Tokyo, Japan. 
;
_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  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'Omega scan'
_diffrn_detector_area_resol_mean 10.0
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            7362
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.83
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2489
_reflns_number_gt                2282
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0655P)²+71.4185P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       0
_refine_ls_number_reflns         2489
_refine_ls_number_parameters     225
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0735
_refine_ls_wR_factor_gt          0.0697
_refine_ls_goodness_of_fit_ref   0.557
_refine_ls_restrained_S_all      0.557
_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
H7B H 0.683(5) -0.392(8) 0.9706(19) 0.050(16) Uiso 1 1 d . . .
H7A H 0.579(5) -0.398(8) 0.9478(19) 0.050(16) Uiso 1 1 d . . .
Ag1 Ag 0.45671(3) 0.24829(4) 0.967082(11) 0.03764(12) Uani 1 1 d . . .
Ag2 Ag 0.62888(3) -0.00113(4) 0.945426(10) 0.03416(12) Uani 1 1 d . . .
O1 O 0.3374(3) -0.0070(4) 0.97781(10) 0.0352(7) Uani 1 1 d . . .
O2 O 0.6094(3) 0.2794(4) 1.01900(10) 0.0422(8) Uani 1 1 d . . .
O3 O 0.9731(2) -0.0141(4) 0.90834(11) 0.0347(7) Uani 1 1 d . . .
O4 O 0.8118(2) -0.0799(4) 0.92866(10) 0.0364(7) Uani 1 1 d . . .
O5 O 0.8097(3) -0.1146(4) 0.82591(12) 0.0472(8) Uani 1 1 d . . .
O6 O 0.8544(4) 0.0438(5) 0.77109(12) 0.0616(11) Uani 1 1 d . . .
O7 O 0.6295(3) -0.3304(4) 0.96108(11) 0.0370(7) Uani 1 1 d . . .
N1 N 0.5626(3) 0.0086(5) 0.87250(12) 0.0310(8) Uani 1 1 d . . .
N2 N 0.8250(3) 0.0250(4) 0.80964(12) 0.0333(8) Uani 1 1 d . . .
C1 C 0.8185(3) 0.3304(5) 0.90841(13) 0.0235(8) Uani 1 1 d . . .
C2 C 0.8314(3) 0.1748(5) 0.88502(12) 0.0219(7) Uani 1 1 d . . .
C3 C 0.8081(3) 0.1781(5) 0.83720(13) 0.0250(8) Uani 1 1 d . . .
C4 C 0.7721(3) 0.3218(6) 0.81212(14) 0.0319(9) Uani 1 1 d . . .
H4A H 0.7583 0.3178 0.7800 0.038 Uiso 1 1 calc R . .
C5 C 0.7574(4) 0.4712(5) 0.83614(15) 0.0350(10) Uani 1 1 d . . .
H5A H 0.7315 0.5687 0.8203 0.042 Uiso 1 1 calc R . .
C6 C 0.7812(3) 0.4749(5) 0.88360(14) 0.0309(9) Uani 1 1 d . . .
H6A H 0.7721 0.5764 0.8995 0.037 Uiso 1 1 calc R . .
C7 C 0.8516(3) 0.3468(5) 0.96001(13) 0.0253(8) Uani 1 1 d . . .
C8 C 0.8750(3) 0.0153(5) 0.90973(13) 0.0274(9) Uani 1 1 d . . .
C9 C 0.5672(4) -0.1359(6) 0.84758(15) 0.0354(10) Uani 1 1 d . . .
H9A H 0.5870 -0.2368 0.8632 0.043 Uiso 1 1 calc R . .
C10 C 0.5442(3) -0.1418(6) 0.80005(14) 0.0336(9) Uani 1 1 d . . .
H10A H 0.5489 -0.2449 0.7844 0.040 Uiso 1 1 calc R . .
C11 C 0.5139(3) 0.0059(5) 0.77550(13) 0.0269(8) Uani 1 1 d . . .
C12 C 0.5093(4) 0.1546(6) 0.80143(14) 0.0335(9) Uani 1 1 d . . .
H12A H 0.4896 0.2572 0.7867 0.040 Uiso 1 1 calc R . .
C13 C 0.5336(3) 0.1510(6) 0.84870(14) 0.0331(9) Uani 1 1 d . . .
H13A H 0.5298 0.2528 0.8651 0.040 Uiso 1 1 calc R . .


_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 O2 2.317(3) . ?
Ag1 O4 2.431(3) 3_455 ?
Ag1 O7 2.529(3) 5_657 ?
Ag1 O1 2.532(3) . ?
Ag1 O3 2.543(3) 3_455 ?
Ag1 Ag2 3.0222(6) . ?
Ag1 Ag2 3.4484(6) 5_657 ?
Ag2 N1 2.188(3) . ?
Ag2 O1 2.221(3) 5_657 ?
Ag2 O4 2.470(3) . ?
Ag2 O7 2.613(3) . ?
Ag2 Ag1 3.4484(6) 5_657 ?
O1 C7 1.273(5) 3_445 ?
O1 Ag2 2.221(3) 5_657 ?
O2 C7 1.232(5) 7_657 ?
O3 C8 1.255(5) . ?
O3 Ag1 2.543(3) 3_545 ?
O4 C8 1.255(5) . ?
O4 Ag1 2.431(3) 3_545 ?
O5 N2 1.212(5) . ?
O6 N2 1.222(5) . ?
O7 Ag1 2.529(3) 5_657 ?
O7 H7B 0.85(6) . ?
O7 H7A 0.88(6) . ?
N1 C13 1.339(6) . ?
N1 C9 1.346(6) . ?
N2 C3 1.467(5) . ?
C1 C6 1.392(6) . ?
C1 C2 1.410(5) . ?
C1 C7 1.515(5) . ?
C2 C3 1.386(5) . ?
C2 C8 1.510(5) . ?
C3 C4 1.387(6) . ?
C4 C5 1.381(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.376(6) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 O2 1.232(5) 7_657 ?
C7 O1 1.273(5) 3 ?
C9 C10 1.378(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.387(6) . ?
C10 H10A 0.9300 . ?
C11 C12 1.388(6) . ?
C11 C11 1.482(8) 2_656 ?
C12 C13 1.372(6) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ag1 O4 139.83(11) . 3_455 ?
O2 Ag1 O7 80.46(12) . 5_657 ?
O4 Ag1 O7 82.72(11) 3_455 5_657 ?
O2 Ag1 O1 117.40(11) . . ?
O4 Ag1 O1 94.01(10) 3_455 . ?
O7 Ag1 O1 77.84(10) 5_657 . ?
O2 Ag1 O3 103.79(11) . 3_455 ?
O4 Ag1 O3 53.07(10) 3_455 3_455 ?
O7 Ag1 O3 115.97(10) 5_657 3_455 ?
O1 Ag1 O3 138.48(9) . 3_455 ?
O2 Ag1 Ag2 69.18(8) . . ?
O4 Ag1 Ag2 140.88(8) 3_455 . ?
O7 Ag1 Ag2 135.37(8) 5_657 . ?
O1 Ag1 Ag2 87.75(7) . . ?
O3 Ag1 Ag2 102.82(7) 3_455 . ?
O2 Ag1 Ag2 83.17(9) . 5_657 ?
O4 Ag1 Ag2 111.77(7) 3_455 5_657 ?
O7 Ag1 Ag2 48.94(8) 5_657 5_657 ?
O1 Ag1 Ag2 40.04(7) . 5_657 ?
O3 Ag1 Ag2 162.79(7) 3_455 5_657 ?
Ag2 Ag1 Ag2 94.360(15) . 5_657 ?
N1 Ag2 O1 168.16(12) . 5_657 ?
N1 Ag2 O4 94.77(11) . . ?
O1 Ag2 O4 97.05(11) 5_657 . ?
N1 Ag2 O7 101.30(12) . . ?
O1 Ag2 O7 81.82(11) 5_657 . ?
O4 Ag2 O7 78.63(10) . . ?
N1 Ag2 Ag1 88.42(9) . . ?
O1 Ag2 Ag1 80.63(8) 5_657 . ?
O4 Ag2 Ag1 154.02(7) . . ?
O7 Ag2 Ag1 126.04(8) . . ?
N1 Ag2 Ag1 127.89(10) . 5_657 ?
O1 Ag2 Ag1 47.18(8) 5_657 5_657 ?
O4 Ag2 Ag1 111.88(7) . 5_657 ?
O7 Ag2 Ag1 46.84(7) . 5_657 ?
Ag1 Ag2 Ag1 85.640(15) . 5_657 ?
C7 O1 Ag2 114.3(2) 3_445 5_657 ?
C7 O1 Ag1 123.1(3) 3_445 . ?
Ag2 O1 Ag1 92.78(10) 5_657 . ?
C7 O2 Ag1 119.5(3) 7_657 . ?
C8 O3 Ag1 87.9(2) . 3_545 ?
C8 O4 Ag1 93.0(2) . 3_545 ?
C8 O4 Ag2 125.4(3) . . ?
Ag1 O4 Ag2 135.29(13) 3_545 . ?
Ag1 O7 Ag2 84.22(10) 5_657 . ?
Ag1 O7 H7B 106(4) 5_657 . ?
Ag2 O7 H7B 127(4) . . ?
Ag1 O7 H7A 99(4) 5_657 . ?
Ag2 O7 H7A 122(4) . . ?
H7B O7 H7A 108(5) . . ?
C13 N1 C9 116.5(4) . . ?
C13 N1 Ag2 125.5(3) . . ?
C9 N1 Ag2 117.1(3) . . ?
O5 N2 O6 122.7(4) . . ?
O5 N2 C3 119.0(4) . . ?
O6 N2 C3 118.3(4) . . ?
C6 C1 C2 120.1(3) . . ?
C6 C1 C7 118.9(4) . . ?
C2 C1 C7 120.9(3) . . ?
C3 C2 C1 116.2(3) . . ?
C3 C2 C8 121.1(3) . . ?
C1 C2 C8 122.6(3) . . ?
C2 C3 C4 124.1(4) . . ?
C2 C3 N2 120.1(3) . . ?
C4 C3 N2 115.7(3) . . ?
C5 C4 C3 118.3(4) . . ?
C5 C4 H4A 120.9 . . ?
C3 C4 H4A 120.9 . . ?
C6 C5 C4 119.7(4) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C5 C6 C1 121.6(4) . . ?
C5 C6 H6A 119.2 . . ?
C1 C6 H6A 119.2 . . ?
O2 C7 O1 125.7(4) 7_657 3 ?
O2 C7 C1 118.2(3) 7_657 . ?
O1 C7 C1 116.1(3) 3 . ?
O4 C8 O3 124.8(4) . . ?
O4 C8 C2 118.9(4) . . ?
O3 C8 C2 116.2(4) . . ?
N1 C9 C10 123.2(4) . . ?
N1 C9 H9A 118.4 . . ?
C10 C9 H9A 118.4 . . ?
C9 C10 C11 120.1(4) . . ?
C9 C10 H10A 119.9 . . ?
C11 C10 H10A 119.9 . . ?
C10 C11 C12 116.3(4) . . ?
C10 C11 C11 122.3(2) . 2_656 ?
C12 C11 C11 121.4(2) . 2_656 ?
C13 C12 C11 120.4(4) . . ?
C13 C12 H12A 119.8 . . ?
C11 C12 H12A 119.8 . . ?
N1 C13 C12 123.4(4) . . ?
N1 C13 H13A 118.3 . . ?
C12 C13 H13A 118.3 . . ?

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
C4 H4A O6 0.93 2.48 2.731(6) 95.3 .
O7 H7A O3 0.88(6) 1.89(6) 2.757(5) 168(5) 3_445
C10 H10A O6 0.93 2.93 3.459(6) 117.2 3_445
C5 H5A O5 0.93 2.66 3.323(5) 128.8 1_565
C4 H4A O6 0.93 2.62 3.244(5) 125.1 4_656
C10 H10A O6 0.93 2.68 3.530(6) 151.9 4_646

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.080
_database_code_depnum_ccdc_archive 'CCDC 960781'
