# Electronic Supplementary Material (ESI) for ChemComm.
# 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

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10 H11 Ag2 N5 O4'
_chemical_formula_weight         480.98

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                   10.4687(8)
_cell_length_b                   12.6970(10)
_cell_length_c                   11.0554(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.1220(10)
_cell_angle_gamma                90.00
_cell_volume                     1330.49(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellowish
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             928
_exptl_absorpt_coefficient_mu    2.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4697
_exptl_absorpt_correction_T_max  0.5883
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7420
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2310
_reflns_number_gt                2142
_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 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)+(0.0449P)²+1.4747P] 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       ?
_refine_ls_number_reflns         2310
_refine_ls_number_parameters     190
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0327
_refine_ls_wR_factor_ref         0.0843
_refine_ls_wR_factor_gt          0.0822
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_restrained_S_all      1.107
_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 0.19560(4) 0.09180(3) 0.25651(4) 0.04702(15) Uani 1 1 d . . .
Ag2 Ag -0.04958(4) 0.14798(3) 0.68880(3) 0.04535(14) Uani 1 1 d . . .
N1 N 0.3339(4) 0.1132(4) 0.5204(4) 0.0480(10) Uani 1 1 d . . .
N2 N 0.0524(3) 0.0988(3) 0.3480(3) 0.0306(7) Uani 1 1 d . . .
N3 N -0.0172(3) 0.1358(3) 0.5086(3) 0.0297(7) Uani 1 1 d . . .
N4 N -0.0456(5) 0.1781(3) 0.8805(4) 0.0503(10) Uani 1 1 d . . .
H4B H 0.0403 0.1649 0.9437 0.075 Uiso 1 1 d R . .
H4C H -0.1079 0.1366 0.8923 0.075 Uiso 1 1 d R . .
H4D H -0.0676 0.2452 0.8853 0.075 Uiso 1 1 d R . .
N5 N 0.3034(4) 0.1015(3) 0.1314(4) 0.0407(9) Uani 1 1 d . . .
H5A H 0.3888 0.0730 0.1731 0.061 Uiso 1 1 d R . .
H5B H 0.3116 0.1687 0.1131 0.061 Uiso 1 1 d R . .
H5D H 0.2548 0.0667 0.0557 0.061 Uiso 1 1 d R . .
O1 O -0.2881(3) 0.1807(3) 0.4844(3) 0.0474(8) Uani 1 1 d . . .
O2 O -0.3828(3) 0.1399(3) 0.2678(3) 0.0461(8) Uani 1 1 d . . .
O3 O -0.1110(3) 0.0543(3) 0.0776(3) 0.0475(8) Uani 1 1 d . . .
O4 O -0.3074(3) 0.0928(3) 0.0941(3) 0.0501(9) Uani 1 1 d . . .
H4E H -0.3329 0.1092 0.1551 0.060 Uiso 1 1 d R . .
C1 C 0.5208(5) 0.1257(4) 0.7393(6) 0.0561(15) Uani 1 1 d . . .
H1A H 0.6172 0.1270 0.7939 0.067 Uiso 1 1 d R . .
C2 C 0.4727(5) 0.1160(5) 0.6038(6) 0.0587(15) Uani 1 1 d . . .
H2A H 0.5381 0.1118 0.5677 0.070 Uiso 1 1 d R . .
C3 C 0.2422(4) 0.1220(3) 0.5744(4) 0.0312(9) Uani 1 1 d . . .
C4 C 0.2833(5) 0.1307(4) 0.7096(4) 0.0402(10) Uani 1 1 d . . .
H4A H 0.2163 0.1353 0.7438 0.048 Uiso 1 1 d R . .
C5 C 0.4261(5) 0.1325(4) 0.7940(5) 0.0497(13) Uani 1 1 d . . .
H5C H 0.4565 0.1384 0.8859 0.060 Uiso 1 1 d R . .
C6 C 0.0912(4) 0.1187(3) 0.4778(4) 0.0276(8) Uani 1 1 d . . .
C7 C -0.0914(4) 0.1035(3) 0.2905(4) 0.0286(8) Uani 1 1 d . . .
C8 C -0.1357(4) 0.1271(3) 0.3895(4) 0.0287(8) Uani 1 1 d . . .
C9 C -0.2764(4) 0.1506(3) 0.3835(4) 0.0366(10) Uani 1 1 d . . .
C10 C -0.1704(5) 0.0821(3) 0.1456(4) 0.0370(10) 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 N5 2.128(4) . ?
Ag1 N2 2.137(3) . ?
Ag1 N1 2.663(4) . ?
Ag1 O3 3.009(3) . ?
Ag1 Ag2 3.5716(6) 3_556 ?
Ag2 N4 2.136(4) . ?
Ag2 N3 2.163(3) . ?
Ag2 O1 2.593(3) . ?
N1 C3 1.334(6) . ?
N1 C2 1.351(7) . ?
N2 C6 1.339(5) . ?
N2 C7 1.365(5) . ?
N3 C6 1.334(5) . ?
N3 C8 1.378(5) . ?
O1 C9 1.234(6) . ?
O2 C9 1.298(5) . ?
O3 C10 1.213(5) . ?
O4 C10 1.306(6) . ?
C1 C5 1.366(8) . ?
C1 C2 1.367(8) . ?
C3 C4 1.373(6) . ?
C3 C6 1.486(5) . ?
C4 C5 1.387(7) . ?
C7 C8 1.391(6) . ?
C7 C10 1.484(6) . ?
C8 C9 1.476(6) . ?

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
N5 Ag1 N2 167.87(14) . . ?
N5 Ag1 N1 120.96(13) . . ?
N2 Ag1 N1 69.00(12) . . ?
N5 Ag1 O3 107.10(12) . . ?
N2 Ag1 O3 63.31(11) . . ?
N1 Ag1 O3 131.94(10) . . ?
N5 Ag1 Ag2 122.84(11) . 3_556 ?
N2 Ag1 Ag2 61.22(9) . 3_556 ?
N1 Ag1 Ag2 88.53(9) . 3_556 ?
O3 Ag1 Ag2 64.05(7) . 3_556 ?
N4 Ag2 N3 168.98(14) . . ?
N4 Ag2 O1 116.22(14) . . ?
N3 Ag2 O1 71.24(11) . . ?
C3 N1 C2 117.5(4) . . ?
C3 N1 Ag1 109.8(3) . . ?
C2 N1 Ag1 132.7(4) . . ?
C6 N2 C7 105.3(3) . . ?
C6 N2 Ag1 124.1(3) . . ?
C7 N2 Ag1 129.7(3) . . ?
C6 N3 C8 105.1(3) . . ?
C6 N3 Ag2 136.9(3) . . ?
C8 N3 Ag2 117.2(3) . . ?
C9 O1 Ag2 108.0(3) . . ?
C10 O3 Ag1 103.4(3) . . ?
C5 C1 C2 119.4(4) . . ?
N1 C2 C1 122.7(5) . . ?
N1 C3 C4 122.8(4) . . ?
N1 C3 C6 115.2(4) . . ?
C4 C3 C6 122.0(4) . . ?
C3 C4 C5 118.9(5) . . ?
C1 C5 C4 118.6(5) . . ?
N3 C6 N2 113.6(3) . . ?
N3 C6 C3 125.0(4) . . ?
N2 C6 C3 121.4(4) . . ?
N2 C7 C8 108.3(3) . . ?
N2 C7 C10 119.6(4) . . ?
C8 C7 C10 132.1(4) . . ?
N3 C8 C7 107.7(3) . . ?
N3 C8 C9 120.2(4) . . ?
C7 C8 C9 131.9(4) . . ?
O1 C9 O2 123.3(4) . . ?
O1 C9 C8 120.2(4) . . ?
O2 C9 C8 116.5(4) . . ?
O3 C10 O4 121.1(4) . . ?
O3 C10 C7 121.7(4) . . ?
O4 C10 C7 117.2(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
N4 H4B O1 0.89 2.57 3.029(5) 113.2 4_666
N4 H4C O3 0.89 2.31 2.993(5) 133.2 1_556
N5 H5A O2 0.89 2.33 3.016(5) 134.4 1_655
N5 H5B O1 0.89 2.35 3.144(5) 149.1 4_665
N5 H5D O3 0.89 2.22 3.058(5) 157.5 3

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.859
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.123
_database_code_depnum_ccdc_archive 'CCDC 988828'
#######################################################################
#
#                 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

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10 H11 Ag2 N5 O4'
_chemical_formula_weight         480.98

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                   10.4635(4)
_cell_length_b                   12.5188(3)
_cell_length_c                   11.0115(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.202(4)
_cell_angle_gamma                90.00
_cell_volume                     1305.10(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellowish
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             928
_exptl_absorpt_coefficient_mu    3.025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4639
_exptl_absorpt_correction_T_max  0.5829
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5652
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.25
_diffrn_reflns_theta_max         24.98
_reflns_number_total             2287
_reflns_number_gt                2130
_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 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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2287
_refine_ls_number_parameters     190
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0326
_refine_ls_wR_factor_ref         0.1312
_refine_ls_wR_factor_gt          0.1278
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_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 0.30673(4) 0.09141(3) 0.74288(4) 0.0183(2) Uani 1 1 d . . .
Ag2 Ag 0.54871(4) 0.14901(3) 0.30708(4) 0.0176(2) Uani 1 1 d . . .
O1 O 0.7898(4) 0.1795(3) 0.5124(4) 0.0185(8) Uani 1 1 d . . .
O2 O 0.8838(4) 0.1387(3) 0.7297(4) 0.0198(9) Uani 1 1 d . . .
O3 O 0.6102(4) 0.0515(3) 0.9199(4) 0.0186(8) Uani 1 1 d . . .
O4 O 0.8088(4) 0.0919(3) 0.9055(4) 0.0192(9) Uani 1 1 d . . .
N1 N 0.1649(5) 0.1130(4) 0.4764(5) 0.0231(11) Uani 1 1 d . . .
N2 N 0.4483(4) 0.0992(3) 0.6490(5) 0.0124(9) Uani 1 1 d . . .
N3 N 0.5180(4) 0.1363(3) 0.4878(4) 0.0106(9) Uani 1 1 d . . .
N4 N 0.5467(5) 0.1821(4) 0.1160(5) 0.0196(10) Uani 1 1 d . . .
N5 N 0.1982(4) 0.1026(4) 0.8680(5) 0.0154(10) Uani 1 1 d . . .
C1 C 0.0276(6) 0.1161(5) 0.3929(7) 0.0267(14) Uani 1 1 d . . .
C2 C -0.0237(6) 0.1255(5) 0.2550(7) 0.0247(14) Uani 1 1 d . . .
C3 C 0.0716(7) 0.1318(5) 0.1997(6) 0.0221(14) Uani 1 1 d . . .
C4 C 0.2163(6) 0.1314(4) 0.2845(6) 0.0154(11) Uani 1 1 d . . .
C5 C 0.2577(5) 0.1223(4) 0.4205(5) 0.0130(11) Uani 1 1 d . . .
C6 C 0.4095(5) 0.1191(4) 0.5190(5) 0.0124(11) Uani 1 1 d . . .
C7 C 0.5914(5) 0.1028(4) 0.7073(5) 0.0108(11) Uani 1 1 d . . .
C8 C 0.6351(5) 0.1275(4) 0.6070(5) 0.0113(10) Uani 1 1 d . . .
C9 C 0.6696(6) 0.0810(4) 0.8535(6) 0.0161(12) Uani 1 1 d . . .
C10 C 0.7774(5) 0.1497(4) 0.6142(6) 0.0147(12) Uani 1 1 d . . .
H4 H 0.8336 0.1081 0.8436 0.022 Uiso 1 1 d R . .
H4A H 0.2852 0.1367 0.2487 0.018 Uiso 1 1 d R . .
H3 H 0.0396 0.1367 0.1042 0.018 Uiso 1 1 d R . .
H2 H -0.1234 0.1284 0.1991 0.018 Uiso 1 1 d R . .
H1 H -0.0375 0.1110 0.4296 0.018 Uiso 1 1 d R . .
H5A H 0.1154 0.0671 0.8294 0.022 Uiso 1 1 d R . .
H5B H 0.2512 0.0734 0.9486 0.022 Uiso 1 1 d R . .
H5C H 0.1814 0.1716 0.8785 0.022 Uiso 1 1 d R . .
H4B H 0.6139 0.1432 0.1060 0.022 Uiso 1 1 d R . .
H4C H 0.4615 0.1651 0.0501 0.022 Uiso 1 1 d R . .
H4D H 0.5635 0.2520 0.1106 0.022 Uiso 1 1 d 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 N5 2.131(5) . ?
Ag1 N2 2.140(4) . ?
Ag1 N1 2.679(5) . ?
Ag1 O3 2.977(3) . ?
Ag1 Ag2 3.5154(6) 3_656 ?
Ag2 N4 2.136(5) . ?
Ag2 N3 2.152(4) . ?
Ag2 O1 2.601(4) . ?
O1 C10 1.240(7) . ?
O2 C10 1.292(7) . ?
O3 C9 1.202(7) . ?
O4 C9 1.326(7) . ?
N1 C1 1.336(8) . ?
N1 C5 1.357(8) . ?
N2 C6 1.335(7) . ?
N2 C7 1.355(6) . ?
N3 C6 1.336(7) . ?
N3 C8 1.366(6) . ?
C1 C2 1.384(9) . ?
C2 C3 1.374(10) . ?
C3 C4 1.400(8) . ?
C4 C5 1.375(8) . ?
C5 C6 1.495(7) . ?
C7 C8 1.399(7) . ?
C7 C9 1.487(8) . ?
C8 C10 1.483(7) . ?

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
N5 Ag1 N2 168.19(17) . . ?
N5 Ag1 N1 120.16(16) . . ?
N2 Ag1 N1 68.95(16) . . ?
N5 Ag1 O3 107.54(14) . . ?
N2 Ag1 O3 63.83(14) . . ?
N1 Ag1 O3 132.31(13) . . ?
N5 Ag1 Ag2 122.74(12) . 3_656 ?
N2 Ag1 Ag2 62.01(11) . 3_656 ?
N1 Ag1 Ag2 89.40(11) . 3_656 ?
O3 Ag1 Ag2 63.18(8) . 3_656 ?
N4 Ag2 N3 169.24(17) . . ?
N4 Ag2 O1 115.26(15) . . ?
N3 Ag2 O1 71.26(13) . . ?
C10 O1 Ag2 107.8(3) . . ?
C9 O3 Ag1 103.5(3) . . ?
C1 N1 C5 116.9(5) . . ?
C1 N1 Ag1 133.5(4) . . ?
C5 N1 Ag1 109.6(3) . . ?
C6 N2 C7 105.8(4) . . ?
C6 N2 Ag1 124.7(3) . . ?
C7 N2 Ag1 128.7(4) . . ?
C6 N3 C8 104.6(4) . . ?
C6 N3 Ag2 136.7(3) . . ?
C8 N3 Ag2 117.9(3) . . ?
N1 C1 C2 123.9(6) . . ?
C3 C2 C1 118.4(5) . . ?
C2 C3 C4 119.1(6) . . ?
C5 C4 C3 118.5(5) . . ?
N1 C5 C4 123.1(5) . . ?
N1 C5 C6 114.4(5) . . ?
C4 C5 C6 122.5(5) . . ?
N2 C6 N3 113.7(4) . . ?
N2 C6 C5 121.8(5) . . ?
N3 C6 C5 124.5(5) . . ?
N2 C7 C8 107.5(4) . . ?
N2 C7 C9 119.6(5) . . ?
C8 C7 C9 132.9(5) . . ?
N3 C8 C7 108.4(4) . . ?
N3 C8 C10 120.4(5) . . ?
C7 C8 C10 131.1(5) . . ?
O3 C9 O4 121.7(5) . . ?
O3 C9 C7 121.8(5) . . ?
O4 C9 C7 116.5(5) . . ?
O1 C10 O2 123.0(5) . . ?
O1 C10 C8 119.8(5) . . ?
O2 C10 C8 117.2(5) . . ?

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
N5 H5A O2 0.90 2.37 3.013(6) 128.3 1_455
N5 H5B O3 0.90 2.20 3.035(6) 153.3 3_657
N5 H5C O1 0.90 2.35 3.097(6) 140.9 4_566
N4 H4B O3 0.90 2.33 2.999(6) 130.7 1_554

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        24.98
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.724
_refine_diff_density_min         -0.895
_refine_diff_density_rms         0.137
_database_code_depnum_ccdc_archive 'CCDC 988829'
#######################################################################
#
#                 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            'C20 H26 Ag4 N10 O10'
_chemical_formula_weight         997.99

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                   6.8790(8)
_cell_length_b                   11.7678(14)
_cell_length_c                   17.321(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.741(2)
_cell_angle_gamma                90.00
_cell_volume                     1400.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       needle-like
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968
_exptl_absorpt_coefficient_mu    2.829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4841
_exptl_absorpt_correction_T_max  0.6016
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7872
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.09
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2441
_reflns_number_gt                2197
_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 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)+(0.0607P)²+2.2877P] 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       ?
_refine_ls_number_reflns         2441
_refine_ls_number_parameters     199
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0958
_refine_ls_wR_factor_gt          0.0801
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_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 0.09242(6) -0.01808(3) 0.20787(2) 0.03667(15) Uani 1 1 d . . .
Ag2 Ag 0.28902(6) 0.10343(3) -0.13113(2) 0.03991(16) Uani 1 1 d . . .
O1 O 0.3163(6) -0.1625(3) -0.1454(2) 0.0432(9) Uani 1 1 d . . .
O2 O 0.3286(5) -0.3027(3) -0.0619(2) 0.0389(8) Uani 1 1 d . . .
H2 H 0.3175 -0.3120 -0.0154 0.058 Uiso 1 1 d R . .
O3 O 0.2948(6) -0.3292(3) 0.0786(2) 0.0408(8) Uani 1 1 d . . .
O4 O 0.2053(6) -0.2310(3) 0.1796(2) 0.0422(9) Uani 1 1 d . . .
O5W O 0.0182(6) 0.4228(3) 0.7777(2) 0.0541(11) Uani 1 1 d . . .
H5WB H -0.0505 0.4018 0.8146 0.065 Uiso 1 1 d R . .
H5WA H -0.0066 0.3883 0.7352 0.065 Uiso 1 1 d R . .
N1 N 0.2023(6) 0.2282(3) -0.0223(2) 0.0346(9) Uani 1 1 d . . .
N2 N 0.2635(5) -0.0016(3) -0.0296(2) 0.0236(8) Uani 1 1 d . . .
N3 N 0.2147(5) -0.0283(3) 0.0963(2) 0.0250(8) Uani 1 1 d . . .
N4 N -0.0427(7) 0.0135(4) 0.3157(3) 0.0407(10) Uani 1 1 d . . .
H4C H -0.0305 -0.0477 0.3457 0.061 Uiso 1 1 d R . .
H4A H -0.1683 0.0289 0.3064 0.061 Uiso 1 1 d R . .
H4B H 0.0150 0.0725 0.3394 0.061 Uiso 1 1 d R . .
N5 N 0.3751(7) 0.1706(4) -0.2392(2) 0.0419(10) Uani 1 1 d . . .
H5B H 0.4004 0.1136 -0.2710 0.063 Uiso 1 1 d R . .
H5C H 0.4813 0.2130 -0.2313 0.063 Uiso 1 1 d R . .
H5A H 0.2794 0.2130 -0.2601 0.063 Uiso 1 1 d R . .
C1 C 0.1869(8) 0.3421(4) -0.0201(3) 0.0442(13) Uani 1 1 d . . .
H1 H 0.1815 0.3817 -0.0666 0.053 Uiso 1 1 d R . .
C2 C 0.1787(8) 0.4023(4) 0.0468(4) 0.0426(13) Uani 1 1 d . . .
H2A H 0.1680 0.4811 0.0460 0.051 Uiso 1 1 d R . .
C3 C 0.1865(7) 0.3437(4) 0.1156(3) 0.0393(12) Uani 1 1 d . . .
H3 H 0.1815 0.3828 0.1621 0.047 Uiso 1 1 d R . .
C4 C 0.2019(7) 0.2267(4) 0.1154(3) 0.0341(11) Uani 1 1 d . . .
H4 H 0.2070 0.1860 0.1615 0.041 Uiso 1 1 d R . .
C5 C 0.2096(6) 0.1714(4) 0.0451(3) 0.0249(9) Uani 1 1 d . . .
C6 C 0.2274(6) 0.0466(3) 0.0378(2) 0.0235(9) Uani 1 1 d . . .
C7 C 0.2773(6) -0.1151(3) -0.0146(3) 0.0254(9) Uani 1 1 d . . .
C8 C 0.2490(6) -0.1316(4) 0.0635(3) 0.0241(9) Uani 1 1 d . . .
C9 C 0.3098(7) -0.1951(4) -0.0785(3) 0.0306(10) Uani 1 1 d . . .
C10 C 0.2483(7) -0.2369(4) 0.1110(3) 0.0295(10) 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 N3 2.147(4) . ?
Ag1 N4 2.158(4) . ?
Ag1 O4 2.675(4) . ?
Ag1 Ag2 3.0540(6) 3 ?
Ag2 N5 2.141(4) . ?
Ag2 N2 2.164(4) . ?
Ag2 N1 2.485(4) . ?
Ag2 Ag1 3.0540(6) 3 ?
Ag2 O1 3.145(4) . ?
O1 C9 1.224(6) . ?
O2 C9 1.304(6) . ?
O2 H2 0.8200 . ?
O3 C10 1.270(6) . ?
O4 C10 1.240(6) . ?
O5W H5WB 0.8500 . ?
O5W H5WA 0.8499 . ?
N1 C5 1.344(6) . ?
N1 C1 1.346(6) . ?
N2 C6 1.332(6) . ?
N2 C7 1.363(5) . ?
N3 C6 1.349(6) . ?
N3 C8 1.367(6) . ?
N4 H4C 0.8900 . ?
N4 H4A 0.8900 . ?
N4 H4B 0.8900 . ?
N5 H5B 0.8900 . ?
N5 H5C 0.8900 . ?
N5 H5A 0.8900 . ?
C1 C2 1.362(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.376(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.381(7) . ?
C3 H3 0.9299 . ?
C4 C5 1.384(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.479(6) . ?
C7 C8 1.390(6) . ?
C7 C9 1.478(6) . ?
C8 C10 1.488(6) . ?

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
N3 Ag1 N4 172.72(15) . . ?
N3 Ag1 O4 69.71(12) . . ?
N4 Ag1 O4 117.43(14) . . ?
N3 Ag1 Ag2 87.44(10) . 3 ?
N4 Ag1 Ag2 92.11(13) . 3 ?
O4 Ag1 Ag2 82.15(9) . 3 ?
N5 Ag2 N2 163.33(16) . . ?
N5 Ag2 N1 122.13(15) . . ?
N2 Ag2 N1 71.88(13) . . ?
N5 Ag2 Ag1 90.50(13) . 3 ?
N2 Ag2 Ag1 93.70(10) . 3 ?
N1 Ag2 Ag1 106.99(10) . 3 ?
N5 Ag2 O1 106.16(14) . . ?
N2 Ag2 O1 60.20(11) . . ?
N1 Ag2 O1 131.68(11) . . ?
Ag1 Ag2 O1 72.05(7) 3 . ?
C9 O1 Ag2 103.4(3) . . ?
C9 O2 H2 109.5 . . ?
C10 O4 Ag1 108.2(3) . . ?
H5WB O5W H5WA 114.6 . . ?
C5 N1 C1 118.1(4) . . ?
C5 N1 Ag2 111.4(3) . . ?
C1 N1 Ag2 129.2(3) . . ?
C6 N2 C7 105.3(4) . . ?
C6 N2 Ag2 119.7(3) . . ?
C7 N2 Ag2 135.0(3) . . ?
C6 N3 C8 104.4(4) . . ?
C6 N3 Ag1 133.0(3) . . ?
C8 N3 Ag1 120.5(3) . . ?
Ag1 N4 H4C 109.5 . . ?
Ag1 N4 H4A 109.5 . . ?
H4C N4 H4A 109.5 . . ?
Ag1 N4 H4B 109.5 . . ?
H4C N4 H4B 109.5 . . ?
H4A N4 H4B 109.5 . . ?
Ag2 N5 H5B 109.5 . . ?
Ag2 N5 H5C 109.5 . . ?
H5B N5 H5C 109.5 . . ?
Ag2 N5 H5A 109.5 . . ?
H5B N5 H5A 109.5 . . ?
H5C N5 H5A 109.5 . . ?
N1 C1 C2 123.3(5) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 118.3(5) . . ?
C1 C2 H2A 120.8 . . ?
C3 C2 H2A 120.8 . . ?
C2 C3 C4 119.9(5) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C3 C4 C5 118.5(5) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 121.9(4) . . ?
N1 C5 C6 114.8(4) . . ?
C4 C5 C6 123.3(4) . . ?
N2 C6 N3 113.7(4) . . ?
N2 C6 C5 121.2(4) . . ?
N3 C6 C5 125.1(4) . . ?
N2 C7 C8 108.1(4) . . ?
N2 C7 C9 119.5(4) . . ?
C8 C7 C9 132.4(4) . . ?
N3 C8 C7 108.4(4) . . ?
N3 C8 C10 120.3(4) . . ?
C7 C8 C10 131.2(4) . . ?
O1 C9 O2 120.4(4) . . ?
O1 C9 C7 121.6(4) . . ?
O2 C9 C7 118.0(4) . . ?
O4 C10 O3 123.2(4) . . ?
O4 C10 C8 119.4(4) . . ?
O3 C10 C8 117.4(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
O5W H5WB O4 0.85 2.28 2.849(5) 124.6 3_556
O5W H5WA O1 0.85 2.16 2.793(5) 130.5 2
N4 H4C O2 0.89 2.60 3.408(6) 151.7 4_556
N4 H4A O5W 0.89 2.26 3.151(6) 176.3 4_565
N4 H4B O3 0.89 2.21 3.064(6) 160.3 2
N5 H5B O5W 0.89 2.32 3.087(6) 144.6 2_545
N5 H5C O4 0.89 2.30 3.101(6) 148.9 3_655
N5 H5A O1 0.89 2.27 3.056(6) 147.1 2_554

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.497
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.171
_database_code_depnum_ccdc_archive 'CCDC 988830'
#######################################################################
#
#                 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

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H26 Ag4 N10 O10'
_chemical_formula_weight         997.99

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                   6.7585(2)
_cell_length_b                   11.7522(5)
_cell_length_c                   17.2702(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.669(3)
_cell_angle_gamma                90.00
_cell_volume                     1370.24(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       needle-like
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968
_exptl_absorpt_coefficient_mu    2.891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4775
_exptl_absorpt_correction_T_max  0.5955
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5884
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.93
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2401
_reflns_number_gt                2070
_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 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)+(0.0224P)²+2.2583P] 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       ?
_refine_ls_number_reflns         2401
_refine_ls_number_parameters     199
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0288
_refine_ls_wR_factor_ref         0.0651
_refine_ls_wR_factor_gt          0.0602
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_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 0.59151(5) 0.51609(3) 0.208492(19) 0.01252(12) Uani 1 1 d . . .
Ag2 Ag 0.78722(5) 0.39560(3) -0.131523(19) 0.01381(12) Uani 1 1 d . . .
N1 N 0.7006(5) 0.2708(3) -0.0227(2) 0.0127(8) Uani 1 1 d . . .
N2 N 0.7627(5) 0.5007(3) -0.0294(2) 0.0082(8) Uani 1 1 d . . .
N3 N 0.7147(5) 0.5274(3) 0.0973(2) 0.0102(8) Uani 1 1 d . . .
N4 N 0.4557(6) 0.4854(3) 0.3162(2) 0.0144(9) Uani 1 1 d . . .
H4B H 0.4702 0.5471 0.3468 0.022 Uiso 1 1 d R . .
H4C H 0.3259 0.4709 0.3072 0.022 Uiso 1 1 d R . .
H4D H 0.5141 0.4251 0.3398 0.022 Uiso 1 1 d R . .
N5 N 0.8748(6) 0.3303(4) -0.2405(2) 0.0163(9) Uani 1 1 d . . .
H5A H 0.9003 0.3886 -0.2724 0.024 Uiso 1 1 d R . .
H5B H 0.9844 0.2875 -0.2330 0.024 Uiso 1 1 d R . .
H5C H 0.7764 0.2875 -0.2619 0.024 Uiso 1 1 d R . .
H5WB H 0.5092 0.8903 0.2655 0.020 Uiso 1 1 d R . .
O1 O 0.8128(5) 0.6617(3) -0.14621(18) 0.0160(7) Uani 1 1 d . . .
O2 O 0.8287(5) 0.8034(3) -0.06218(17) 0.0139(7) Uani 1 1 d . . .
H2A H 0.8183 0.8128 -0.0155 0.021 Uiso 1 1 calc R . .
O3 O 0.7969(4) 0.8294(3) 0.07860(17) 0.0139(7) Uani 1 1 d . . .
O4 O 0.7036(5) 0.7310(3) 0.18057(17) 0.0155(7) Uani 1 1 d . . .
O5W O 0.4855(5) 0.9243(3) 0.22272(18) 0.0199(8) Uani 1 1 d . . .
H5WA H 0.5566 0.9031 0.1860 0.024 Uiso 1 1 d R . .
C1 C 0.6852(6) 0.1574(4) -0.0209(3) 0.0163(11) Uani 1 1 d . . .
H1A H 0.6792 0.1184 -0.0678 0.020 Uiso 1 1 calc R . .
C2 C 0.6777(7) 0.0949(4) 0.0466(3) 0.0147(10) Uani 1 1 d . . .
H2B H 0.6659 0.0161 0.0456 0.018 Uiso 1 1 calc R . .
C3 C 0.6886(6) 0.1541(4) 0.1161(3) 0.0142(10) Uani 1 1 d . . .
H3A H 0.6857 0.1151 0.1629 0.017 Uiso 1 1 calc R . .
C4 C 0.7038(6) 0.2717(4) 0.1156(3) 0.0127(10) Uani 1 1 d . . .
H4A H 0.7110 0.3122 0.1619 0.015 Uiso 1 1 calc R . .
C5 C 0.7082(6) 0.3281(4) 0.0451(2) 0.0094(10) Uani 1 1 d . . .
C6 C 0.7278(6) 0.4516(4) 0.0386(2) 0.0081(10) Uani 1 1 d . . .
C7 C 0.7778(6) 0.6143(4) -0.0146(3) 0.0100(10) Uani 1 1 d . . .
C8 C 0.7483(6) 0.6316(4) 0.0640(3) 0.0107(10) Uani 1 1 d . . .
C9 C 0.8093(6) 0.6959(4) -0.0786(2) 0.0105(10) Uani 1 1 d . . .
C10 C 0.7478(6) 0.7360(4) 0.1109(3) 0.0108(10) 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 N3 2.133(4) . ?
Ag1 N4 2.143(4) . ?
Ag1 O4 2.687(3) . ?
Ag1 Ag2 3.0131(5) 3_665 ?
Ag2 N5 2.142(4) . ?
Ag2 N2 2.165(4) . ?
Ag2 N1 2.476(4) . ?
Ag2 Ag1 3.0131(5) 3_665 ?
Ag2 O1 3.143(3) . ?
N1 C1 1.337(6) . ?
N1 C5 1.350(6) . ?
N2 C6 1.339(6) . ?
N2 C7 1.362(6) . ?
N3 C6 1.355(6) . ?
N3 C8 1.376(6) . ?
O1 C9 1.236(5) . ?
O2 C9 1.300(5) . ?
O3 C10 1.282(6) . ?
O4 O4 0.000(6) 1 ?
O4 C10 1.254(5) . ?
C1 C2 1.381(7) . ?
C2 C3 1.385(7) . ?
C3 C4 1.385(7) . ?
C4 C5 1.387(6) . ?
C5 C6 1.463(6) . ?
C7 C8 1.395(6) . ?
C7 C9 1.487(6) . ?
C8 C10 1.471(6) . ?
C10 O4 1.254(5) 1 ?

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
N3 Ag1 N4 173.30(14) . . ?
N3 Ag1 O4 69.81(12) . . ?
N4 Ag1 O4 116.72(13) . . ?
N3 Ag1 Ag2 86.58(9) . 3_665 ?
N4 Ag1 Ag2 92.94(10) . 3_665 ?
O4 Ag1 Ag2 80.67(6) . 3_665 ?
N5 Ag2 N2 162.71(15) . . ?
N5 Ag2 N1 122.67(14) . . ?
N2 Ag2 N1 71.94(13) . . ?
N5 Ag2 Ag1 89.97(10) . 3_665 ?
N2 Ag2 Ag1 93.86(9) . 3_665 ?
N1 Ag2 Ag1 108.24(8) . 3_665 ?
N5 Ag2 O1 105.48(13) . . ?
N2 Ag2 O1 60.32(11) . . ?
N1 Ag2 O1 131.82(11) . . ?
Ag1 Ag2 O1 70.76(5) 3_665 . ?
C1 N1 C5 118.5(4) . . ?
C1 N1 Ag2 129.0(3) . . ?
C5 N1 Ag2 111.2(3) . . ?
C6 N2 C7 105.8(4) . . ?
C6 N2 Ag2 119.5(3) . . ?
C7 N2 Ag2 134.8(3) . . ?
C6 N3 C8 104.7(4) . . ?
C6 N3 Ag1 132.4(3) . . ?
C8 N3 Ag1 120.7(3) . . ?
C9 O1 Ag2 104.1(3) . . ?
O4 O4 C10 0(10) 1 . ?
O4 O4 Ag1 0(10) 1 . ?
C10 O4 Ag1 107.3(3) . . ?
N1 C1 C2 123.8(5) . . ?
C1 C2 C3 117.5(4) . . ?
C4 C3 C2 119.8(4) . . ?
C3 C4 C5 119.1(4) . . ?
N1 C5 C4 121.4(4) . . ?
N1 C5 C6 115.3(4) . . ?
C4 C5 C6 123.2(4) . . ?
N2 C6 N3 113.1(4) . . ?
N2 C6 C5 121.1(4) . . ?
N3 C6 C5 125.8(4) . . ?
N2 C7 C8 108.2(4) . . ?
N2 C7 C9 120.3(4) . . ?
C8 C7 C9 131.4(4) . . ?
N3 C8 C7 108.1(4) . . ?
N3 C8 C10 120.5(4) . . ?
C7 C8 C10 131.4(4) . . ?
O1 C9 O2 121.0(4) . . ?
O1 C9 C7 120.2(4) . . ?
O2 C9 C7 118.7(4) . . ?
O4 C10 O4 0.0(4) 1 . ?
O4 C10 O3 122.4(4) 1 . ?
O4 C10 O3 122.4(4) . . ?
O4 C10 C8 119.8(4) 1 . ?
O4 C10 C8 119.8(4) . . ?
O3 C10 C8 117.8(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
N4 H4B O2 0.90 2.57 3.388(5) 151.2 4_576
N4 H4C O5W 0.90 2.21 3.110(5) 175.0 2_545
N4 H4D O3 0.90 2.17 3.029(5) 159.2 2_645
N5 H5A O5W 0.90 2.28 3.053(5) 144.4 4_675
N5 H5B O4 0.90 2.27 3.072(5) 148.8 3_765
N5 H5C O1 0.90 2.23 3.022(5) 146.4 2_644
O5W H5WB O1 0.85 2.16 2.785(5) 130.7 4_576
O5W H5WA O4 0.85 2.26 2.821(5) 124.0 1

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.646
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.139
_database_code_depnum_ccdc_archive 'CCDC 988831'
#######################################################################
#
#                 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

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H26 Ag4 N10 O8'
_chemical_formula_weight         1014.03

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)/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                   8.9949(4)
_cell_length_b                   14.1156(6)
_cell_length_c                   11.5353(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.168(5)
_cell_angle_gamma                90.00
_cell_volume                     1420.07(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             984
_exptl_absorpt_coefficient_mu    2.787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4886
_exptl_absorpt_correction_T_max  0.7680
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6579
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.89
_diffrn_reflns_theta_max         25.50
_reflns_number_total             2635
_reflns_number_gt                1979
_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 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)+(0.0398P)²+0.0179P] 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       ?
_refine_ls_number_reflns         2635
_refine_ls_number_parameters     208
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.0939
_refine_ls_wR_factor_gt          0.0835
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_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 0.40094(5) 0.09021(3) 0.51759(5) 0.04041(18) Uani 1 1 d . . .
Ag2 Ag -0.13246(5) -0.20970(3) 0.48168(5) 0.04263(18) Uani 1 1 d . . .
O1 O 0.2283(5) 0.0237(3) 0.8905(3) 0.0444(11) Uani 1 1 d . . .
H1B H 0.1586 -0.0184 0.8773 0.067 Uiso 1 1 d R . .
O2 O 0.3444(5) 0.1130(3) 0.7820(4) 0.0469(12) Uani 1 1 d . . .
O3 O -0.1238(5) -0.1715(3) 0.7031(4) 0.0408(11) Uani 1 1 d . . .
O4 O 0.0270(5) -0.0973(3) 0.8564(4) 0.0479(11) Uani 1 1 d . . .
N1 N 0.3092(5) -0.0391(3) 0.3615(4) 0.0318(11) Uani 1 1 d . . .
N2 N 0.2544(5) -0.0110(3) 0.5852(4) 0.0256(10) Uani 1 1 d . . .
N3 N 0.0648(5) -0.1194(3) 0.5526(4) 0.0245(10) Uani 1 1 d . . .
N4 N -0.2897(6) -0.3214(3) 0.4013(5) 0.0389(13) Uani 1 1 d . . .
H4B H -0.2840 -0.3668 0.4571 0.047 Uiso 1 1 d R . .
H4C H -0.2539 -0.3468 0.3419 0.047 Uiso 1 1 d R . .
N5 N -0.4815(5) -0.2264(3) 0.5387(4) 0.0352(12) Uani 1 1 d . . .
H5A H -0.4029 -0.2519 0.5934 0.042 Uiso 1 1 d R . .
H5B H -0.5561 -0.2136 0.5762 0.042 Uiso 1 1 d R . .
C1 C 0.3297(7) -0.0446(4) 0.2517(5) 0.0371(15) Uani 1 1 d . . .
H1A H 0.4123 -0.0123 0.2353 0.045 Uiso 1 1 calc R . .
C2 C 0.2368(8) -0.0947(4) 0.1615(6) 0.0440(16) Uani 1 1 d . . .
H2A H 0.2558 -0.0970 0.0858 0.053 Uiso 1 1 calc R . .
C3 C 0.1143(8) -0.1419(5) 0.1857(6) 0.0487(18) Uani 1 1 d . . .
H3A H 0.0470 -0.1755 0.1257 0.058 Uiso 1 1 calc R . .
C4 C 0.0919(7) -0.1392(4) 0.2992(5) 0.0396(15) Uani 1 1 d . . .
H4A H 0.0121 -0.1732 0.3175 0.048 Uiso 1 1 calc R . .
C5 C 0.1894(6) -0.0854(3) 0.3863(5) 0.0255(13) Uani 1 1 d . . .
C6 C 0.1682(6) -0.0732(3) 0.5074(5) 0.0231(12) Uani 1 1 d . . .
C7 C 0.0864(6) -0.0861(3) 0.6677(5) 0.0253(12) Uani 1 1 d . . .
C8 C 0.2046(6) -0.0182(4) 0.6869(5) 0.0252(12) Uani 1 1 d . . .
C9 C -0.0112(7) -0.1207(4) 0.7446(5) 0.0318(14) Uani 1 1 d . . .
C10 C 0.2635(6) 0.0442(4) 0.7915(5) 0.0329(14) Uani 1 1 d . . .
C11 C -0.4533(7) -0.3011(4) 0.3537(5) 0.0386(15) Uani 1 1 d . . .
H11A H -0.4975 -0.3480 0.2951 0.046 Uiso 1 1 d R . .
H11B H -0.4628 -0.2406 0.3145 0.046 Uiso 1 1 d R . .
C12 C -0.5381(7) -0.2991(4) 0.4487(6) 0.0376(15) Uani 1 1 d . . .
H12A H -0.6445 -0.2870 0.4130 0.045 Uiso 1 1 d R . .
H12B H -0.5305 -0.3601 0.4865 0.045 Uiso 1 1 d 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 N2 2.211(4) . ?
Ag1 N5 2.207(4) 3_556 ?
Ag1 N1 2.555(5) . ?
Ag1 Ag2 2.9474(7) 3_556 ?
Ag1 Ag1 3.1906(9) 3_656 ?
Ag1 O2 3.229(4) . ?
Ag2 N3 2.176(4) . ?
Ag2 N4 2.169(4) . ?
Ag2 O3 2.593(4) . ?
Ag2 Ag1 2.9474(7) 3_556 ?
O1 C10 1.291(7) . ?
O2 C10 1.233(7) . ?
O3 C9 1.239(7) . ?
O4 O4 0.000(12) 1 ?
O4 C9 1.293(7) . ?
N1 C1 1.327(7) . ?
N1 C5 1.349(7) . ?
N2 C6 1.355(6) . ?
N2 C8 1.359(7) . ?
N3 C6 1.341(7) . ?
N3 C7 1.377(7) . ?
N4 C11 1.467(7) . ?
N5 C12 1.460(7) . ?
N5 Ag1 2.207(4) 3_556 ?
C1 C2 1.362(9) . ?
C2 C3 1.373(9) . ?
C3 C4 1.373(9) . ?
C4 C5 1.387(8) . ?
C5 C6 1.466(8) . ?
C7 C8 1.408(7) . ?
C7 C9 1.476(8) . ?
C8 C10 1.483(8) . ?
C9 O4 1.293(7) 1 ?
C11 C12 1.481(9) . ?

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 N5 158.96(17) . 3_556 ?
N2 Ag1 N1 70.69(15) . . ?
N5 Ag1 N1 119.17(16) 3_556 . ?
N2 Ag1 Ag2 78.98(11) . 3_556 ?
N5 Ag1 Ag2 80.27(13) 3_556 3_556 ?
N1 Ag1 Ag2 106.69(10) . 3_556 ?
N2 Ag1 Ag1 85.93(11) . 3_656 ?
N5 Ag1 Ag1 115.07(13) 3_556 3_656 ?
N1 Ag1 Ag1 55.55(10) . 3_656 ?
Ag2 Ag1 Ag1 160.16(3) 3_556 3_656 ?
N2 Ag1 O2 59.05(13) . . ?
N5 Ag1 O2 109.30(15) 3_556 . ?
N1 Ag1 O2 129.67(13) . . ?
Ag2 Ag1 O2 67.77(8) 3_556 . ?
Ag1 Ag1 O2 114.94(8) 3_656 . ?
N3 Ag2 N4 166.74(18) . . ?
N3 Ag2 O3 71.51(15) . . ?
N4 Ag2 O3 115.55(16) . . ?
N3 Ag2 Ag1 104.89(11) . 3_556 ?
N4 Ag2 Ag1 88.17(13) . 3_556 ?
O3 Ag2 Ag1 72.86(9) . 3_556 ?
C10 O2 Ag1 103.8(4) . . ?
C9 O3 Ag2 109.0(4) . . ?
O4 O4 C9 0(10) 1 . ?
C1 N1 C5 118.6(5) . . ?
C1 N1 Ag1 128.2(4) . . ?
C5 N1 Ag1 109.5(4) . . ?
C6 N2 C8 105.5(4) . . ?
C6 N2 Ag1 118.6(3) . . ?
C8 N2 Ag1 134.8(3) . . ?
C6 N3 C7 105.2(4) . . ?
C6 N3 Ag2 135.9(4) . . ?
C7 N3 Ag2 118.2(3) . . ?
C11 N4 Ag2 120.5(4) . . ?
C12 N5 Ag1 119.0(4) . 3_556 ?
N1 C1 C2 123.9(6) . . ?
C1 C2 C3 118.0(6) . . ?
C4 C3 C2 119.5(6) . . ?
C3 C4 C5 119.4(6) . . ?
N1 C5 C4 120.6(5) . . ?
N1 C5 C6 116.2(5) . . ?
C4 C5 C6 123.2(5) . . ?
N3 C6 N2 113.4(5) . . ?
N3 C6 C5 125.3(5) . . ?
N2 C6 C5 121.4(5) . . ?
N3 C7 C8 107.9(5) . . ?
N3 C7 C9 120.2(5) . . ?
C8 C7 C9 131.9(5) . . ?
N2 C8 C7 108.1(5) . . ?
N2 C8 C10 122.0(5) . . ?
C7 C8 C10 129.7(5) . . ?
O3 C9 O4 121.7(6) . 1 ?
O3 C9 O4 121.7(6) . . ?
O4 C9 O4 0.00(14) 1 . ?
O3 C9 C7 120.6(5) . . ?
O4 C9 C7 117.6(6) 1 . ?
O4 C9 C7 117.6(6) . . ?
O2 C10 O1 122.2(5) . . ?
O2 C10 C8 119.8(5) . . ?
O1 C10 C8 118.0(5) . . ?
N4 C11 C12 112.2(5) . . ?
N5 C12 C11 112.8(5) . . ?

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
N4 H4B O1 0.90 2.30 3.195(6) 170.8 2_546
N4 H4C O3 0.90 2.22 3.023(7) 148.6 4
O1 H1B O4 0.85 1.60 2.450(6) 178.3 1
N4 H4C O4 0.90 2.61 3.229(6) 126.3 4
N5 H5A O2 0.90 2.37 3.113(6) 140.2 2_546

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.600
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.122
_database_code_depnum_ccdc_archive 'CCDC 988832'
#######################################################################
#
#                 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

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H30 Ag4 N10 O8'
_chemical_formula_weight         1042.08

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)/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                   14.2975(6)
_cell_length_b                   11.9979(6)
_cell_length_c                   19.3757(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.377(4)
_cell_angle_gamma                90.00
_cell_volume                     3135.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellowish
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2032
_exptl_absorpt_coefficient_mu    2.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5177
_exptl_absorpt_correction_T_max  0.5177
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11381
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.74
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5508
_reflns_number_gt                3233
_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 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)+(0.0957P)²+38.6804P] 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       ?
_refine_ls_number_reflns         5508
_refine_ls_number_parameters     429
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.1256
_refine_ls_R_factor_gt           0.0754
_refine_ls_wR_factor_ref         0.2342
_refine_ls_wR_factor_gt          0.1903
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      1.000
_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 0.49224(10) 0.59865(10) 0.36752(6) 0.0853(5) Uani 1 1 d . . .
Ag2 Ag -0.00077(8) 0.75861(10) 0.13348(5) 0.0682(4) Uani 1 1 d . A .
Ag3 Ag 0.17607(8) 0.61858(10) 0.04789(6) 0.0715(4) Uani 1 1 d . . .
Ag4 Ag 0.30686(8) 0.76910(11) 0.45838(5) 0.0667(4) Uani 1 1 d . . .
N1 N 0.2039(7) 0.7197(7) 0.3547(5) 0.040(2) Uani 1 1 d . . .
N2 N 0.1085(7) 0.7230(8) 0.2368(5) 0.040(2) Uani 1 1 d . . .
N3 N 0.2103(8) 0.9507(10) 0.3654(6) 0.066(3) Uani 1 1 d . . .
N4 N 0.2885(7) 0.5664(8) 0.1458(5) 0.041(2) Uani 1 1 d . A .
N5 N 0.3864(6) 0.5649(8) 0.2633(4) 0.040(2) Uani 1 1 d . A .
N6 N 0.2798(8) 0.7941(9) 0.1371(6) 0.062(3) Uani 1 1 d . A .
N7 N 0.0669(8) 0.6451(11) -0.0567(7) 0.056(3) Uiso 0.80 1 d PD A 1
H7B H 0.0975 0.6771 -0.0855 0.067 Uiso 0.80 1 calc PR A 1
H7C H 0.0457 0.5777 -0.0760 0.067 Uiso 0.80 1 calc PR A 1
N7' N 0.021(4) 0.610(3) -0.023(3) 0.056(3) Uiso 0.20 1 d PD A 2
H7'A H 0.0156 0.5549 -0.0557 0.067 Uiso 0.20 1 calc PR A 2
H7'B H -0.0159 0.5904 0.0048 0.067 Uiso 0.20 1 calc PR A 2
N8 N -0.1178(8) 0.8076(10) 0.0363(5) 0.059(3) Uani 1 1 d . . .
H8B H -0.1496 0.7455 0.0147 0.071 Uiso 1 1 calc R A .
H8C H -0.1615 0.8485 0.0499 0.071 Uiso 1 1 calc R . .
N9 N 0.4228(7) 0.8086(9) 0.5588(5) 0.048(3) Uani 1 1 d . . .
H9B H 0.3960 0.8496 0.5863 0.057 Uiso 1 1 calc R B .
H9C H 0.4436 0.7443 0.5829 0.057 Uiso 1 1 calc R . .
N10 N 0.6157(10) 0.6431(12) 0.4615(7) 0.059(3) Uiso 0.80 1 d PD B 1
H10A H 0.6467 0.5801 0.4821 0.070 Uiso 0.80 1 calc PR B 1
H10B H 0.6588 0.6826 0.4463 0.070 Uiso 0.80 1 calc PR B 1
N10' N 0.545(4) 0.603(3) 0.486(3) 0.059(3) Uiso 0.20 1 d PD B 2
H10C H 0.4936 0.5909 0.5023 0.070 Uiso 0.20 1 calc PR B 2
H10D H 0.5887 0.5469 0.5033 0.070 Uiso 0.20 1 calc PR B 2
O1 O 0.4729(7) 0.3846(8) 0.3523(5) 0.063(3) Uani 1 1 d . B .
O2 O 0.3939(7) 0.2626(7) 0.2669(5) 0.066(3) Uani 1 1 d . B .
O3 O 0.2906(7) 0.2652(7) 0.1384(5) 0.062(3) Uani 1 1 d . A .
H3B H 0.3253 0.2671 0.1816 0.093 Uiso 1 1 calc R . .
O4 O 0.2281(8) 0.3857(8) 0.0502(5) 0.074(3) Uani 1 1 d . A .
O5 O 0.1058(7) 0.4221(7) 0.2281(6) 0.067(3) Uani 1 1 d . . .
O6 O 0.2049(8) 0.4197(8) 0.3588(6) 0.075(3) Uani 1 1 d . . .
H6B H 0.1717 0.4218 0.3152 0.113 Uiso 1 1 calc R . .
O7 O 0.0353(7) 0.5457(8) 0.1414(5) 0.064(3) Uani 1 1 d . . .
O8 O 0.2708(9) 0.5382(9) 0.4468(5) 0.090(4) Uani 1 1 d . . .
C1 C 0.2156(11) 1.0620(13) 0.3709(9) 0.072(4) Uani 1 1 d . B .
H1A H 0.2471 1.0930 0.4168 0.086 Uiso 1 1 calc R . .
C2 C 0.3758(12) 0.9319(12) 0.2544(9) 0.071(4) Uani 1 1 d . . .
H2A H 0.4072 0.9788 0.2935 0.085 Uiso 1 1 calc R . .
C3 C 0.3788(10) 0.8160(11) 0.2626(7) 0.055(3) Uani 1 1 d . A .
H3A H 0.4120 0.7839 0.3078 0.067 Uiso 1 1 calc R . .
C4 C 0.2766(12) 0.9049(12) 0.1310(10) 0.077(5) Uani 1 1 d . . .
H4A H 0.2396 0.9362 0.0863 0.093 Uiso 1 1 calc R A .
C5 C 0.3326(8) 0.7504(10) 0.2036(6) 0.046(3) Uani 1 1 d . . .
C6 C 0.1262(13) 1.0863(14) 0.2447(9) 0.076(5) Uani 1 1 d . B .
H6A H 0.0994 1.1326 0.2044 0.091 Uiso 1 1 calc R . .
C7 C 0.3247(12) 0.9734(12) 0.1866(10) 0.075(5) Uani 1 1 d . A .
H7A H 0.3232 1.0500 0.1788 0.090 Uiso 1 1 calc R . .
C8 C 0.1163(10) 0.9713(12) 0.2383(7) 0.058(4) Uani 1 1 d . . .
H8A H 0.0803 0.9387 0.1939 0.070 Uiso 1 1 calc R B .
C9 C 0.1783(12) 1.1307(12) 0.3142(10) 0.074(5) Uani 1 1 d . . .
H9A H 0.1865 1.2074 0.3205 0.089 Uiso 1 1 calc R B .
C10 C 0.4169(9) 0.3636(11) 0.2910(6) 0.049(3) Uani 1 1 d . . .
C11 C 0.2731(9) 0.3643(12) 0.1138(7) 0.052(3) Uani 1 1 d . . .
C12 C 0.1258(8) 0.6148(9) 0.2590(6) 0.039(3) Uani 1 1 d . A .
C13 C 0.1564(7) 0.7844(9) 0.2974(5) 0.037(3) Uani 1 1 d . A .
C14 C 0.0846(8) 0.5238(11) 0.2050(7) 0.047(3) Uani 1 1 d . A .
C16 C 0.2252(10) 0.5188(11) 0.3831(7) 0.054(3) Uani 1 1 d . A .
C17 C 0.1607(8) 0.9065(10) 0.2990(6) 0.041(3) Uani 1 1 d . A .
C19 C 0.3368(7) 0.6285(9) 0.2052(5) 0.036(3) Uani 1 1 d . A .
C20 C 0.3707(8) 0.4566(9) 0.2406(6) 0.040(3) Uani 1 1 d . A .
C21 C 0.1859(8) 0.6131(10) 0.3318(6) 0.040(3) Uani 1 1 d . A .
C22 C 0.3096(8) 0.4581(10) 0.1671(6) 0.039(3) Uani 1 1 d . A .
C26 C 0.5928(12) 0.7072(13) 0.5175(7) 0.081(5) Uani 1 1 d D . .
H26A H 0.6537 0.7167 0.5584 0.097 Uiso 1 1 calc R B 1
H26B H 0.5482 0.6634 0.5349 0.097 Uiso 1 1 calc R B 1
C27 C 0.5476(10) 0.8193(12) 0.4964(7) 0.064(4) Uani 1 1 d . B .
H27A H 0.4926 0.8132 0.4509 0.077 Uiso 1 1 calc R . .
H27B H 0.5963 0.8690 0.4882 0.077 Uiso 1 1 calc R . .
C28 C -0.0196(9) 0.7113(14) -0.0622(9) 0.090(6) Uani 1 1 d D . .
H28A H -0.0585 0.6721 -0.0373 0.108 Uiso 1 1 calc R A 1
H28B H -0.0598 0.7168 -0.1134 0.108 Uiso 1 1 calc R A 1
C29 C 0.0002(10) 0.8253(12) -0.0317(8) 0.066(4) Uani 1 1 d . A .
H29A H 0.0182 0.8732 -0.0656 0.079 Uiso 1 1 calc R . .
H29B H 0.0553 0.8237 0.0139 0.079 Uiso 1 1 calc R . .
C30 C -0.0903(10) 0.8710(11) -0.0185(7) 0.062(4) Uani 1 1 d . A .
H30A H -0.0780 0.9478 -0.0024 0.074 Uiso 1 1 calc R . .
H30B H -0.1454 0.8704 -0.0642 0.074 Uiso 1 1 calc R . .
C31 C 0.5106(9) 0.8682(11) 0.5549(7) 0.051(3) Uani 1 1 d . B .
H31A H 0.5630 0.8641 0.6019 0.061 Uiso 1 1 calc R . .
H31B H 0.4942 0.9462 0.5440 0.061 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 N5 2.122(8) . ?
Ag1 N10 2.141(13) . ?
Ag1 N10' 2.18(5) . ?
Ag1 O1 2.589(9) . ?
Ag1 Ag4 4.172(2) . ?
Ag2 N2 2.135(8) . ?
Ag2 N8 2.145(10) . ?
Ag2 O7 2.601(9) . ?
Ag2 Ag3 3.8403(18) . ?
Ag3 N4 2.133(9) . ?
Ag3 N7 2.132(12) . ?
Ag3 N7' 2.19(5) . ?
Ag3 N6 2.814(11) . ?
Ag3 O4 2.888(10) . ?
Ag3 Ag4 3.2362(18) 4_575 ?
Ag4 N1 2.142(9) . ?
Ag4 N9 2.149(9) . ?
Ag4 O8 2.813(11) . ?
Ag4 N3 2.873(12) . ?
Ag4 Ag3 3.2362(18) 4_576 ?
N1 C21 1.351(14) . ?
N1 C13 1.342(13) . ?
N2 C12 1.364(14) . ?
N2 C13 1.362(13) . ?
N3 C1 1.339(18) . ?
N3 C17 1.353(14) . ?
N4 C19 1.352(13) . ?
N4 C22 1.368(14) . ?
N5 C19 1.350(13) . ?
N5 C20 1.366(14) . ?
N6 C4 1.334(17) . ?
N6 C5 1.364(15) . ?
N7 C28 1.445(9) . ?
N7' C28 1.454(10) . ?
N8 C30 1.462(18) . ?
N9 C31 1.469(16) . ?
N10 C26 1.454(9) . ?
N10' C26 1.456(10) . ?
O1 C10 1.219(14) . ?
O2 C10 1.300(15) . ?
O3 C11 1.273(15) . ?
O4 C11 1.213(15) . ?
O5 C14 1.301(15) . ?
O6 C16 1.277(16) . ?
O7 C14 1.227(14) . ?
O8 C16 1.212(15) . ?
C1 C9 1.34(2) . ?
C2 C7 1.37(2) . ?
C2 C3 1.399(19) . ?
C3 C5 1.364(16) . ?
C4 C7 1.35(2) . ?
C5 C19 1.463(16) . ?
C6 C8 1.39(2) . ?
C6 C9 1.41(2) . ?
C8 C17 1.377(16) . ?
C10 C20 1.485(15) . ?
C11 C22 1.499(17) . ?
C12 C21 1.387(16) . ?
C12 C14 1.492(16) . ?
C13 C17 1.467(16) . ?
C16 C21 1.487(17) . ?
C20 C22 1.403(15) . ?
C26 C27 1.489(19) . ?
C27 C31 1.518(18) . ?
C28 C29 1.480(19) . ?
C29 C30 1.503(19) . ?

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
N5 Ag1 N10 169.5(4) . . ?
N5 Ag1 N10' 154.2(12) . . ?
N10 Ag1 N10' 36.3(12) . . ?
N5 Ag1 O1 71.8(3) . . ?
N10 Ag1 O1 111.7(4) . . ?
N10' Ag1 O1 97.5(9) . . ?
N5 Ag1 Ag4 98.2(3) . . ?
N10 Ag1 Ag4 88.8(3) . . ?
N10' Ag1 Ag4 65.7(14) . . ?
O1 Ag1 Ag4 118.4(2) . . ?
N2 Ag2 N8 173.4(4) . . ?
N2 Ag2 O7 71.3(3) . . ?
N8 Ag2 O7 113.7(4) . . ?
N2 Ag2 Ag3 86.3(3) . . ?
N8 Ag2 Ag3 100.1(3) . . ?
O7 Ag2 Ag3 56.6(2) . . ?
N4 Ag3 N7 170.8(4) . . ?
N4 Ag3 N7' 148.3(10) . . ?
N7 Ag3 N7' 30.9(12) . . ?
N4 Ag3 N6 65.5(3) . . ?
N7 Ag3 N6 122.9(4) . . ?
N7' Ag3 N6 129.7(11) . . ?
N4 Ag3 O4 65.7(3) . . ?
N7 Ag3 O4 105.2(4) . . ?
N7' Ag3 O4 99.5(10) . . ?
N6 Ag3 O4 129.3(3) . . ?
N4 Ag3 Ag4 101.5(3) . 4_575 ?
N7 Ag3 Ag4 78.4(4) . 4_575 ?
N7' Ag3 Ag4 109.2(12) . 4_575 ?
N6 Ag3 Ag4 74.8(3) . 4_575 ?
O4 Ag3 Ag4 102.7(2) . 4_575 ?
N4 Ag3 Ag2 98.9(3) . . ?
N7 Ag3 Ag2 88.1(3) . . ?
N7' Ag3 Ag2 67.5(15) . . ?
N6 Ag3 Ag2 72.3(3) . . ?
O4 Ag3 Ag2 128.3(2) . . ?
Ag4 Ag3 Ag2 129.01(5) 4_575 . ?
N1 Ag4 N9 173.4(4) . . ?
N1 Ag4 O8 66.6(3) . . ?
N9 Ag4 O8 110.8(3) . . ?
N1 Ag4 N3 65.4(3) . . ?
N9 Ag4 N3 117.8(4) . . ?
O8 Ag4 N3 131.3(3) . . ?
N1 Ag4 Ag3 106.2(3) . 4_576 ?
N9 Ag4 Ag3 80.4(3) . 4_576 ?
O8 Ag4 Ag3 109.3(3) . 4_576 ?
N3 Ag4 Ag3 77.1(2) . 4_576 ?
N1 Ag4 Ag1 78.7(3) . . ?
N9 Ag4 Ag1 94.7(3) . . ?
O8 Ag4 Ag1 67.0(3) . . ?
N3 Ag4 Ag1 110.3(2) . . ?
Ag3 Ag4 Ag1 172.44(4) 4_576 . ?
C21 N1 C13 106.6(9) . . ?
C21 N1 Ag4 124.6(7) . . ?
C13 N1 Ag4 128.2(7) . . ?
C12 N2 C13 104.9(8) . . ?
C12 N2 Ag2 119.0(7) . . ?
C13 N2 Ag2 134.6(8) . . ?
C1 N3 C17 117.7(12) . . ?
C1 N3 Ag4 134.7(9) . . ?
C17 N3 Ag4 106.8(8) . . ?
C19 N4 C22 105.5(9) . . ?
C19 N4 Ag3 128.1(8) . . ?
C22 N4 Ag3 125.0(7) . . ?
C19 N5 C20 106.5(8) . . ?
C19 N5 Ag1 134.2(8) . . ?
C20 N5 Ag1 118.5(7) . . ?
C4 N6 C5 117.4(12) . . ?
C4 N6 Ag3 134.0(10) . . ?
C5 N6 Ag3 107.8(8) . . ?
C28 N7 Ag3 119.4(10) . . ?
C28 N7' Ag3 116(3) . . ?
C30 N8 Ag2 117.4(8) . . ?
C31 N9 Ag4 118.4(7) . . ?
C26 N10 Ag1 116.1(9) . . ?
C26 N10' Ag1 114(3) . . ?
C10 O1 Ag1 109.1(8) . . ?
C11 O4 Ag3 105.6(8) . . ?
C14 O7 Ag2 107.8(8) . . ?
C16 O8 Ag4 107.0(9) . . ?
N3 C1 C9 123.6(14) . . ?
C7 C2 C3 117.2(14) . . ?
C5 C3 C2 119.4(13) . . ?
N6 C4 C7 122.9(14) . . ?
N6 C5 C3 122.1(12) . . ?
N6 C5 C19 114.2(10) . . ?
C3 C5 C19 123.7(11) . . ?
C8 C6 C9 117.8(14) . . ?
C4 C7 C2 120.9(14) . . ?
C17 C8 C6 118.7(13) . . ?
C1 C9 C6 119.5(13) . . ?
O1 C10 O2 123.3(11) . . ?
O1 C10 C20 119.3(12) . . ?
O2 C10 C20 117.4(10) . . ?
O4 C11 O3 123.3(12) . . ?
O4 C11 C22 119.1(12) . . ?
O3 C11 C22 117.6(11) . . ?
N2 C12 C21 108.7(10) . . ?
N2 C12 C14 119.2(10) . . ?
C21 C12 C14 132.1(11) . . ?
N1 C13 N2 111.9(10) . . ?
N1 C13 C17 123.6(9) . . ?
N2 C13 C17 124.4(9) . . ?
O7 C14 O5 122.5(11) . . ?
O7 C14 C12 120.6(11) . . ?
O5 C14 C12 116.9(11) . . ?
O8 C16 O6 122.3(12) . . ?
O8 C16 C21 119.4(12) . . ?
O6 C16 C21 118.2(11) . . ?
N3 C17 C8 122.6(12) . . ?
N3 C17 C13 114.7(10) . . ?
C8 C17 C13 122.7(10) . . ?
N5 C19 N4 112.2(10) . . ?
N5 C19 C5 126.1(9) . . ?
N4 C19 C5 121.8(9) . . ?
N5 C20 C22 107.2(9) . . ?
N5 C20 C10 120.9(10) . . ?
C22 C20 C10 131.9(11) . . ?
N1 C21 C12 107.9(10) . . ?
N1 C21 C16 120.7(10) . . ?
C12 C21 C16 131.3(11) . . ?
N4 C22 C20 108.6(9) . . ?
N4 C22 C11 121.0(10) . . ?
C20 C22 C11 130.3(11) . . ?
N10' C26 N10 55(2) . . ?
N10' C26 C27 124(2) . . ?
N10 C26 C27 117.2(12) . . ?
C26 C27 C31 111.8(12) . . ?
N7 C28 N7' 47(2) . . ?
N7 C28 C29 115.6(12) . . ?
N7' C28 C29 125(2) . . ?
C28 C29 C30 110.1(12) . . ?
N8 C30 C29 112.9(11) . . ?
N9 C31 C27 111.4(11) . . ?

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 H7B N1 0.90 2.52 3.412(17) 169.8 4_575
N7 H7B N3 0.90 2.62 3.139(17) 117.3 4_575
N7 H7C O7 0.90 2.04 2.911(16) 162.4 3_565
N8 H8B O4 0.90 2.09 2.987(13) 171.5 3_565
N8 H8C O6 0.90 2.23 3.029(15) 147.5 2
N9 H9B N4 0.90 2.42 3.305(14) 166.2 4_576
N9 H9C O1 0.90 2.10 2.976(13) 165.4 3_666
N10 H10A O8 0.90 2.06 2.934(17) 165.0 3_666
N10 H10B O3 0.90 2.23 3.067(17) 153.8 2_655

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.572
_refine_diff_density_min         -2.295
_refine_diff_density_rms         0.166
_database_code_depnum_ccdc_archive 'CCDC 988833'
