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


data_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H18 Ag Cl N4 O6'
_chemical_formula_sum            'C18 H18 Ag Cl N4 O6'
_chemical_formula_weight         529.68

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'
Cl Cl 0.1484 0.1585 '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   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                   19.799(2)
_cell_length_b                   9.6470(10)
_cell_length_c                   11.2675(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.439(2)
_cell_angle_gamma                90.00
_cell_volume                     1974.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2349
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      27.90

_exptl_crystal_description       'rectangular block'
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_absorpt_coefficient_mu    1.201
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker CCD APEX2'
_diffrn_measurement_method       hemisphere
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12809
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_sigmaI/netI    0.0163
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.24
_diffrn_reflns_theta_max         27.90
_reflns_number_total             2349
_reflns_number_gt                1921
_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         2349
_refine_ls_number_parameters     147
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0637
_refine_ls_wR_factor_ref         0.2558
_refine_ls_wR_factor_gt          0.2424
_refine_ls_goodness_of_fit_ref   2.029
_refine_ls_restrained_S_all      2.029
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.003

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 0.5000 0.0000 0.0000 0.0979(5) Uani 1 2 d S . .
Cl1 Cl 0.5000 -0.2792(2) 0.2500 0.0744(6) Uani 1 2 d S . .
O101 O 0.5471(3) -0.3718(6) 0.3484(6) 0.126(3) Uani 1 1 d . . .
O102 O 0.5565(5) -0.2449(12) 0.1974(9) 0.097(3) Uani 0.60 1 d P . .
O10A O 0.4917(13) -0.1574(10) 0.1696(16) 0.131(7) Uani 0.40 1 d P . .
O11 O 0.7292(2) 0.0524(3) 0.7649(4) 0.0619(10) Uani 1 1 d . . .
N11 N 0.5582(2) 0.1478(6) 0.1490(4) 0.0678(13) Uani 1 1 d . . .
C11 C 0.6277(2) 0.2069(5) 0.3726(4) 0.0464(10) Uani 1 1 d . . .
C12 C 0.5935(3) 0.1114(6) 0.2730(5) 0.0572(12) Uani 1 1 d . . .
H12 H 0.5955 0.0179 0.2943 0.069 Uiso 1 1 calc R . .
C13 C 0.5559(3) 0.2803(7) 0.1193(5) 0.0748(17) Uani 1 1 d . . .
H13 H 0.5309 0.3067 0.0335 0.090 Uiso 1 1 calc R . .
C14 C 0.5894(4) 0.3817(7) 0.2110(6) 0.0727(16) Uani 1 1 d . . .
H14 H 0.5884 0.4741 0.1867 0.087 Uiso 1 1 calc R . .
C15 C 0.6236(3) 0.3439(5) 0.3367(5) 0.0566(12) Uani 1 1 d . . .
H15 H 0.6446 0.4114 0.3996 0.068 Uiso 1 1 calc R . .
C16 C 0.6618(2) 0.1569(4) 0.5053(4) 0.0467(10) Uani 1 1 d . . .
H16 H 0.6604 0.0619 0.5179 0.056 Uiso 1 1 calc R . .
C17 C 0.6947(2) 0.2339(4) 0.6099(4) 0.0436(9) Uani 1 1 d . . .
H17 H 0.6982 0.3289 0.5992 0.052 Uiso 1 1 calc R . .
C18 C 0.7262(2) 0.1774(4) 0.7426(4) 0.0431(9) Uani 1 1 d . . .
N21 N 0.7495(2) 0.2721(3) 0.8353(3) 0.0448(8) Uani 1 1 d . . .
H21 H 0.7472 0.3579 0.8134 0.054 Uiso 1 1 calc R . .
C21 C 0.7788(3) 0.2380(5) 0.9725(4) 0.0516(11) Uani 1 1 d . . .
H21A H 0.8216 0.2951 1.0185 0.062 Uiso 1 1 calc . . .
H21B H 0.7942 0.1418 0.9844 0.062 Uiso 1 1 calc . . .


_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 N11 2.154(4) . ?
Ag1 N11 2.154(4) 5_655 ?
Ag1 O10A 2.497(12) 5_655 ?
Ag1 O10A 2.497(12) . ?
Cl1 O10A 1.452(13) 2_655 ?
Cl1 O10A 1.452(13) . ?
Cl1 O101 1.440(6) 2_655 ?
Cl1 O101 1.440(6) . ?
Cl1 O102 1.497(9) . ?
Cl1 O102 1.497(9) 2_655 ?
O102 O10A 1.46(2) . ?
O10A O10A 1.71(3) 2_655 ?
O11 C18 1.229(5) . ?
N11 C13 1.317(9) . ?
N11 C12 1.337(7) . ?
C11 C15 1.374(7) . ?
C11 C12 1.400(6) . ?
C11 C16 1.457(6) . ?
C13 C14 1.385(9) . ?
C14 C15 1.355(8) . ?
C16 C17 1.324(6) . ?
C17 C18 1.477(6) . ?
C18 N21 1.325(5) . ?
N21 C21 1.456(5) . ?
C21 C21 1.518(10) 7_657 ?

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
N11 Ag1 N11 180.0(4) . 5_655 ?
N11 Ag1 O10A 90.9(3) . 5_655 ?
N11 Ag1 O10A 89.1(3) 5_655 5_655 ?
N11 Ag1 O10A 89.1(3) . . ?
N11 Ag1 O10A 90.9(3) 5_655 . ?
O10A Ag1 O10A 180.0(10) 5_655 . ?
O10A Cl1 O10A 72.1(9) 2_655 . ?
O10A Cl1 O101 149.3(9) 2_655 2_655 ?
O10A Cl1 O101 98.3(7) . 2_655 ?
O10A Cl1 O101 98.3(7) 2_655 . ?
O10A Cl1 O101 149.3(9) . . ?
O101 Cl1 O101 103.3(5) 2_655 . ?
O10A Cl1 O102 98.7(10) 2_655 . ?
O10A Cl1 O102 59.4(8) . . ?
O101 Cl1 O102 101.0(5) 2_655 . ?
O101 Cl1 O102 94.8(5) . . ?
O10A Cl1 O102 59.4(8) 2_655 2_655 ?
O10A Cl1 O102 98.7(10) . 2_655 ?
O101 Cl1 O102 94.8(5) 2_655 2_655 ?
O101 Cl1 O102 101.0(5) . 2_655 ?
O102 Cl1 O102 154.5(9) . 2_655 ?
O10A O102 Cl1 58.8(6) . . ?
Cl1 O10A O102 61.8(8) . . ?
Cl1 O10A O10A 54.0(5) . 2_655 ?
O102 O10A O10A 89.5(16) . 2_655 ?
Cl1 O10A Ag1 160.7(10) . . ?
O102 O10A Ag1 101.3(8) . . ?
O10A O10A Ag1 140.2(7) 2_655 . ?
C13 N11 C12 118.1(5) . . ?
C13 N11 Ag1 119.4(4) . . ?
C12 N11 Ag1 122.4(4) . . ?
C15 C11 C12 116.4(4) . . ?
C15 C11 C16 124.7(4) . . ?
C12 C11 C16 118.9(4) . . ?
N11 C12 C11 123.3(5) . . ?
N11 C13 C14 122.6(5) . . ?
C15 C14 C13 118.7(6) . . ?
C14 C15 C11 120.9(5) . . ?
C17 C16 C11 126.2(4) . . ?
C16 C17 C18 123.6(4) . . ?
O11 C18 N21 122.9(4) . . ?
O11 C18 C17 122.4(4) . . ?
N21 C18 C17 114.7(3) . . ?
C18 N21 C21 123.2(4) . . ?
N21 C21 C21 110.6(5) . 7_657 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.90
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.834
_refine_diff_density_min         -2.021
_refine_diff_density_rms         0.101
_database_code_depnum_ccdc_archive 'CCDC 965790'

data_2'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H54 Ag3 Cl3 N12 O18'
_chemical_formula_weight         1589.05

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'
Cl Cl 0.1484 0.1585 '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   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                   20.6773(15)
_cell_length_b                   9.6611(7)
_cell_length_c                   30.357(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.503(2)
_cell_angle_gamma                90.00
_cell_volume                     5783.5(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5391
_cell_measurement_theta_min      1.41
_cell_measurement_theta_max      25.50

_exptl_crystal_description       'rectangular block'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3192
_exptl_absorpt_coefficient_mu    1.230
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker CCD APEX-2'
_diffrn_measurement_method       hemisphere
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            33871
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.41
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5391
_reflns_number_gt                3877
_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         5391
_refine_ls_number_parameters     408
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0605
_refine_ls_wR_factor_ref         0.1776
_refine_ls_wR_factor_gt          0.1649
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_restrained_S_all      1.161
_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 0.5000 0.5000 0.0000 0.0477(3) Uani 1 2 d S . .
Ag2 Ag 0.99134(3) 1.02512(6) 0.338721(17) 0.0516(2) Uani 1 1 d . . .
Cl1 Cl 0.92984(8) 0.77496(16) 0.40390(5) 0.0401(4) Uani 1 1 d . . .
O101 O 0.9088(2) 0.7781(5) 0.44512(14) 0.0543(13) Uani 1 1 d . . .
O102 O 0.9999(3) 0.8126(8) 0.41515(16) 0.0770(19) Uani 1 1 d . . .
O103 O 0.8893(3) 0.8701(5) 0.37077(15) 0.0566(14) Uani 1 1 d . . .
O104 O 0.9227(3) 0.6384(5) 0.38545(18) 0.0666(15) Uani 1 1 d . . .
Cl2 Cl 1.0000 1.2630(3) 0.2500 0.1049(15) Uani 1 2 d S . .
O201 O 1.0454(8) 1.1987(18) 0.2386(7) 0.47(2) Uani 1 1 d . . .
O202 O 0.9607(4) 1.3450(8) 0.2129(2) 0.101(2) Uani 1 1 d . . .
O21A O 0.7503(2) 0.9176(4) 0.42168(13) 0.0356(10) Uani 1 1 d . . .
O11A O 0.7289(2) 0.5642(4) 0.22859(13) 0.0412(11) Uani 1 1 d . . .
O11B O 0.7997(2) 0.9089(4) 0.09259(13) 0.0366(10) Uani 1 1 d . . .
N11A N 0.5684(2) 0.6639(5) 0.03383(15) 0.0364(12) Uani 1 1 d . . .
C11A C 0.6594(3) 0.7355(5) 0.10070(17) 0.0252(12) Uani 1 1 d . . .
C12A C 0.6193(3) 0.6341(6) 0.07154(18) 0.0304(13) Uani 1 1 d . . .
H12A H 0.6290 0.5415 0.0790 0.036 Uiso 1 1 calc R . .
C13A C 0.5550(3) 0.7982(6) 0.02251(19) 0.0357(14) Uani 1 1 d . . .
H13A H 0.5200 0.8204 -0.0039 0.043 Uiso 1 1 calc R . .
C14A C 0.5918(3) 0.9024(6) 0.04904(18) 0.0341(14) Uani 1 1 d . . .
H14A H 0.5817 0.9940 0.0403 0.041 Uiso 1 1 calc R . .
C15A C 0.6435(3) 0.8728(6) 0.08842(18) 0.0294(13) Uani 1 1 d . . .
H15A H 0.6678 0.9439 0.1067 0.035 Uiso 1 1 calc R . .
C16A C 0.7159(3) 0.6882(5) 0.14150(17) 0.0257(12) Uani 1 1 d . . .
H16A H 0.7099 0.5905 0.1479 0.031 Uiso 1 1 calc R . .
C17A C 0.7317(3) 0.7742(5) 0.18666(16) 0.0204(11) Uani 1 1 d . . .
H17A H 0.7035 0.8575 0.1830 0.024 Uiso 1 1 calc R . .
C18A C 0.7316(3) 0.6910(5) 0.22908(17) 0.0241(11) Uani 1 1 d . . .
N21A N 0.5376(2) 0.6785(5) 0.39007(16) 0.0358(12) Uani 1 1 d . . .
C21A C 0.6337(3) 0.7420(5) 0.45458(16) 0.0258(12) Uani 1 1 d . . .
C22A C 0.5937(3) 0.6454(6) 0.42437(17) 0.0282(12) Uani 1 1 d . . .
H22A H 0.6065 0.5529 0.4282 0.034 Uiso 1 1 calc R . .
C23A C 0.5182(3) 0.8108(7) 0.3854(2) 0.0393(15) Uani 1 1 d . . .
H23A H 0.4798 0.8347 0.3614 0.047 Uiso 1 1 calc R . .
C24A C 0.5528(3) 0.9139(7) 0.4148(2) 0.0447(16) Uani 1 1 d . . .
H24A H 0.5370 1.0046 0.4115 0.054 Uiso 1 1 calc R . .
C25A C 0.6116(3) 0.8788(6) 0.44914(18) 0.0318(13) Uani 1 1 d . . .
H25A H 0.6364 0.9469 0.4687 0.038 Uiso 1 1 calc R . .
C26A C 0.7001(3) 0.6964(5) 0.48742(16) 0.0230(11) Uani 1 1 d . . .
H26A H 0.6968 0.6000 0.4966 0.028 Uiso 1 1 calc R . .
C27A C 0.7641(3) 0.7150(5) 0.46955(16) 0.0212(11) Uani 1 1 d . . .
H27A H 0.7877 0.6273 0.4689 0.025 Uiso 1 1 calc R . .
C28A C 0.7480(3) 0.7920(5) 0.42391(16) 0.0233(11) Uani 1 1 d . . .
N31A N 0.7380(2) 0.7661(5) 0.26688(14) 0.0294(11) Uani 1 1 d . . .
H31A H 0.7351 0.8548 0.2645 0.035 Uiso 1 1 calc R . .
N32A N 0.7297(2) 0.7097(5) 0.38649(14) 0.0324(11) Uani 1 1 d . . .
H32A H 0.7294 0.6214 0.3902 0.039 Uiso 1 1 calc R . .
C31A C 0.7497(4) 0.7022(7) 0.31228(19) 0.0423(16) Uani 1 1 d . . .
H31B H 0.7975 0.7092 0.3293 0.051 Uiso 1 1 calc . . .
H31C H 0.7382 0.6048 0.3083 0.051 Uiso 1 1 calc . . .
C32A C 0.7101(4) 0.7666(8) 0.33894(18) 0.0505(19) Uani 1 1 d . . .
H32B H 0.6623 0.7500 0.3240 0.061 Uiso 1 1 calc . . .
H32C H 0.7176 0.8659 0.3402 0.061 Uiso 1 1 calc . . .
N11B N 0.9519(3) 0.8605(6) 0.29025(16) 0.0412(13) Uani 1 1 d . . .
C11B C 0.8650(3) 0.7745(5) 0.22407(17) 0.0246(12) Uani 1 1 d . . .
C12B C 0.8999(3) 0.8799(6) 0.25150(19) 0.0329(14) Uani 1 1 d . . .
H12B H 0.8868 0.9704 0.2427 0.039 Uiso 1 1 calc R . .
C13B C 0.9710(3) 0.7283(7) 0.3023(2) 0.0445(17) Uani 1 1 d . . .
H13B H 1.0070 0.7125 0.3289 0.053 Uiso 1 1 calc R . .
C14B C 0.9395(4) 0.6179(7) 0.2770(2) 0.0486(18) Uani 1 1 d . . .
H14B H 0.9543 0.5284 0.2861 0.058 Uiso 1 1 calc R . .
C15B C 0.8853(3) 0.6392(6) 0.23760(19) 0.0372(15) Uani 1 1 d . . .
H15B H 0.8628 0.5644 0.2204 0.045 Uiso 1 1 calc R . .
C16B C 0.8051(3) 0.8066(5) 0.18347(16) 0.0229(11) Uani 1 1 d . . .
H16B H 0.8073 0.9036 0.1746 0.027 Uiso 1 1 calc R . .
C17B C 0.7900(3) 0.7146(5) 0.14015(16) 0.0200(11) Uani 1 1 d . . .
H17B H 0.8169 0.6293 0.1465 0.024 Uiso 1 1 calc R . .
C18B C 0.7947(3) 0.7849(5) 0.09587(17) 0.0256(12) Uani 1 1 d . . .
N21B N 0.7902(2) 0.6955(5) 0.06150(14) 0.0313(11) Uani 1 1 d . . .
H21B H 0.7899 0.6082 0.0670 0.038 Uiso 1 1 calc R . .
C21B C 0.7860(3) 0.7414(6) 0.01504(18) 0.0343(14) Uani 1 1 d . . .
H21A H 0.8086 0.6744 0.0010 0.041 Uiso 1 1 calc . . .
H21C H 0.8096 0.8290 0.0169 0.041 Uiso 1 1 calc . . .


_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 N11A 2.165(4) 5_665 ?
Ag1 N11A 2.165(4) . ?
Ag2 N21A 2.155(5) 3 ?
Ag2 N11B 2.154(5) . ?
Cl1 O104 1.423(5) . ?
Cl1 O103 1.432(4) . ?
Cl1 O102 1.431(5) . ?
Cl1 O101 1.444(5) . ?
Cl2 O201 1.258(15) 2_755 ?
Cl2 O201 1.258(15) . ?
Cl2 O202 1.417(7) 2_755 ?
Cl2 O202 1.417(7) . ?
O21A C28A 1.218(6) . ?
O11A C18A 1.226(6) . ?
O11B C18B 1.209(6) . ?
N11A C12A 1.333(7) . ?
N11A C13A 1.350(7) . ?
C11A C15A 1.390(7) . ?
C11A C12A 1.410(7) . ?
C11A C16A 1.495(7) . ?
C13A C14A 1.368(8) . ?
C14A C15A 1.373(7) . ?
C16A C17A 1.551(6) . ?
C16A C17B 1.566(7) . ?
C17A C18A 1.518(7) . ?
C17A C16B 1.581(7) . ?
C18A N31A 1.330(7) . ?
N21A C23A 1.334(8) . ?
N21A C22A 1.343(7) . ?
N21A Ag2 2.155(5) 3_445 ?
C21A C22A 1.393(7) . ?
C21A C25A 1.392(8) . ?
C21A C26A 1.500(7) . ?
C23A C24A 1.384(9) . ?
C24A C25A 1.384(8) . ?
C26A C27A 1.551(6) 7_666 ?
C26A C27A 1.586(8) . ?
C27A C28A 1.519(6) . ?
C27A C26A 1.551(6) 7_666 ?
C28A N32A 1.345(7) . ?
N31A C31A 1.462(7) . ?
N32A C32A 1.483(6) . ?
C31A C32A 1.453(9) . ?
N11B C12B 1.347(7) . ?
N11B C13B 1.354(8) . ?
C11B C12B 1.375(7) . ?
C11B C15B 1.396(8) . ?
C11B C16B 1.494(7) . ?
C13B C14B 1.361(9) . ?
C14B C15B 1.387(8) . ?
C16B C17B 1.539(6) . ?
C17B C18B 1.535(7) . ?
C18B N21B 1.336(7) . ?
N21B C21B 1.456(7) . ?
C21B C21B 1.503(12) 7_665 ?

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
N11A Ag1 N11A 180.0(2) 5_665 . ?
N21A Ag2 N11B 175.25(19) 3 . ?
O104 Cl1 O103 110.4(3) . . ?
O104 Cl1 O102 107.9(4) . . ?
O103 Cl1 O102 109.9(4) . . ?
O104 Cl1 O101 109.7(3) . . ?
O103 Cl1 O101 109.3(3) . . ?
O102 Cl1 O101 109.6(3) . . ?
O201 Cl2 O201 121(2) 2_755 . ?
O201 Cl2 O202 110.7(11) 2_755 2_755 ?
O201 Cl2 O202 101.4(6) . 2_755 ?
O201 Cl2 O202 101.4(6) 2_755 . ?
O201 Cl2 O202 110.7(11) . . ?
O202 Cl2 O202 112.0(6) 2_755 . ?
C12A N11A C13A 118.3(5) . . ?
C12A N11A Ag1 119.0(4) . . ?
C13A N11A Ag1 121.9(4) . . ?
C15A C11A C12A 116.6(5) . . ?
C15A C11A C16A 125.2(5) . . ?
C12A C11A C16A 118.3(5) . . ?
N11A C12A C11A 123.6(5) . . ?
N11A C13A C14A 121.5(5) . . ?
C13A C14A C15A 120.6(5) . . ?
C14A C15A C11A 119.4(5) . . ?
C11A C16A C17A 118.2(4) . . ?
C11A C16A C17B 117.1(4) . . ?
C17A C16A C17B 89.3(4) . . ?
C18A C17A C16A 114.4(4) . . ?
C18A C17A C16B 113.7(4) . . ?
C16A C17A C16B 90.1(4) . . ?
O11A C18A N31A 123.2(5) . . ?
O11A C18A C17A 122.0(5) . . ?
N31A C18A C17A 114.7(4) . . ?
C23A N21A C22A 118.1(5) . . ?
C23A N21A Ag2 121.9(4) . 3_445 ?
C22A N21A Ag2 119.3(4) . 3_445 ?
C22A C21A C25A 116.7(5) . . ?
C22A C21A C26A 119.0(5) . . ?
C25A C21A C26A 124.1(5) . . ?
N21A C22A C21A 123.7(5) . . ?
N21A C23A C24A 122.7(5) . . ?
C23A C24A C25A 118.4(6) . . ?
C24A C25A C21A 120.3(5) . . ?
C21A C26A C27A 120.5(4) . 7_666 ?
C21A C26A C27A 115.5(4) . . ?
C27A C26A C27A 89.4(4) 7_666 . ?
C28A C27A C26A 114.6(4) . 7_666 ?
C28A C27A C26A 113.0(4) . . ?
C26A C27A C26A 90.6(4) 7_666 . ?
O21A C28A N32A 123.3(5) . . ?
O21A C28A C27A 122.5(5) . . ?
N32A C28A C27A 114.2(5) . . ?
C18A N31A C31A 121.9(5) . . ?
C28A N32A C32A 121.9(5) . . ?
N31A C31A C32A 112.5(5) . . ?
C31A C32A N32A 110.4(5) . . ?
C12B N11B C13B 117.4(5) . . ?
C12B N11B Ag2 122.2(4) . . ?
C13B N11B Ag2 119.4(4) . . ?
C12B C11B C15B 117.3(5) . . ?
C12B C11B C16B 120.0(5) . . ?
C15B C11B C16B 122.6(5) . . ?
N11B C12B C11B 124.1(6) . . ?
N11B C13B C14B 122.3(5) . . ?
C13B C14B C15B 119.7(6) . . ?
C14B C15B C11B 119.1(5) . . ?
C11B C16B C17B 119.3(4) . . ?
C11B C16B C17A 118.8(4) . . ?
C17B C16B C17A 89.2(4) . . ?
C18B C17B C16B 116.3(4) . . ?
C18B C17B C16A 114.5(4) . . ?
C16B C17B C16A 91.1(4) . . ?
O11B C18B N21B 124.3(5) . . ?
O11B C18B C17B 122.7(5) . . ?
N21B C18B C17B 113.0(4) . . ?
C18B N21B C21B 122.0(5) . . ?
N21B C21B C21B 112.5(6) . 7_665 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.665
_refine_diff_density_min         -1.303
_refine_diff_density_rms         0.125
_database_code_depnum_ccdc_archive 'CCDC 965791'

data_3

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H22 Ag Cl N4 O6'
_chemical_formula_weight         557.74

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'
Cl Cl 0.1484 0.1585 '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                   20.838(4)
_cell_length_b                   9.7573(16)
_cell_length_c                   12.759(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 121.463(8)
_cell_angle_gamma                90.00
_cell_volume                     2212.8(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2059
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      25.50

_exptl_crystal_description       'rectangular block'
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1128
_exptl_absorpt_coefficient_mu    1.076
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.813
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker CCD APEX-2'
_diffrn_measurement_method       hemisphere
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13080
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0139
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.29
_diffrn_reflns_theta_max         25.50
_reflns_number_total             2059
_reflns_number_gt                1876
_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)+(0.0100P)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         2059
_refine_ls_number_parameters     156
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0920
_refine_ls_wR_factor_gt          0.0914
_refine_ls_goodness_of_fit_ref   4.072
_refine_ls_restrained_S_all      4.072
_refine_ls_shift/su_max          0.003
_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 0.5000 0.0000 0.5000 0.06534(19) Uani 1 2 d S . .
O18 O 0.28147(14) 0.0332(2) -0.2127(2) 0.0599(6) Uani 1 1 d . . .
N11 N 0.44940(12) 0.1547(3) 0.3621(2) 0.0468(6) Uani 1 1 d . . .
N31 N 0.23662(12) 0.2391(2) -0.3003(2) 0.0400(5) Uani 1 1 d . . .
H31 H 0.2361 0.3258 -0.2886 0.048 Uiso 1 1 calc R . .
C11 C 0.38288(14) 0.2116(3) 0.1466(2) 0.0382(6) Uani 1 1 d . . .
C12 C 0.41338(15) 0.1187(3) 0.2432(2) 0.0450(7) Uani 1 1 d . . .
H12 H 0.4086 0.0257 0.2243 0.054 Uiso 1 1 calc R . .
C13 C 0.45486(16) 0.2880(3) 0.3878(3) 0.0505(7) Uani 1 1 d . . .
H13 H 0.4796 0.3152 0.4696 0.061 Uiso 1 1 calc R . .
C14 C 0.42533(19) 0.3870(3) 0.2980(3) 0.0582(8) Uani 1 1 d . . .
H14 H 0.4294 0.4792 0.3191 0.070 Uiso 1 1 calc R . .
C15 C 0.38984(17) 0.3485(3) 0.1773(3) 0.0510(8) Uani 1 1 d . . .
H15 H 0.3704 0.4148 0.1159 0.061 Uiso 1 1 calc R . .
C16 C 0.34715(14) 0.1580(3) 0.0211(2) 0.0413(6) Uani 1 1 d . . .
H16 H 0.3503 0.0638 0.0137 0.050 Uiso 1 1 calc R . .
C17 C 0.31119(15) 0.2273(3) -0.0825(2) 0.0416(7) Uani 1 1 d . . .
H17 H 0.3078 0.3222 -0.0798 0.050 Uiso 1 1 calc R . .
C18 C 0.27596(15) 0.1579(3) -0.2032(2) 0.0402(6) Uani 1 1 d . . .
C31 C 0.19437(16) 0.1865(3) -0.4255(2) 0.0459(7) Uani 1 1 d . . .
H31A H 0.1508 0.2445 -0.4740 0.055 Uiso 1 1 calc . . .
H31B H 0.1763 0.0952 -0.4243 0.055 Uiso 1 1 calc . . .
C32 C 0.23986(15) 0.1802(3) -0.4872(2) 0.0446(7) Uani 1 1 d . . .
H32A H 0.2112 0.1306 -0.5640 0.054 Uiso 1 1 calc . . .
H32B H 0.2858 0.1292 -0.4349 0.054 Uiso 1 1 calc . . .
Cl2 Cl 0.0000 0.26023(14) 0.2500 0.0829(5) Uani 1 2 d S . .
O100 O 0.0348(3) 0.1359(6) 0.3169(7) 0.167(3) Uani 0.67 1 d P . .
O101 O 0.0394(2) 0.3528(4) 0.3557(3) 0.0711(10) Uani 0.67 1 d P . .
O104 O 0.0648(4) 0.2525(6) 0.2282(7) 0.144(2) Uani 0.67 1 d P . .


_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 N11 2.133(2) . ?
Ag1 N11 2.133(2) 5_656 ?
O18 C18 1.235(3) . ?
N11 C13 1.332(4) . ?
N11 C12 1.342(3) . ?
N31 C18 1.332(3) . ?
N31 C31 1.457(3) . ?
N31 H31 0.8600 . ?
C11 C12 1.389(3) . ?
C11 C15 1.378(4) . ?
C11 C16 1.466(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.374(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.368(4) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.316(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.479(4) . ?
C17 H17 0.9300 . ?
C31 C32 1.517(4) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C32 1.512(6) 7_554 ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
Cl2 O101 1.467(3) . ?
Cl2 O101 1.467(3) 2 ?
Cl2 O100 1.442(6) 2 ?
Cl2 O100 1.442(6) . ?
Cl2 O104 1.516(6) . ?
Cl2 O104 1.516(6) 2 ?
O100 O100 1.560(12) 2 ?

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
N11 Ag1 N11 180.0 . 5_656 ?
C13 N11 C12 117.3(3) . . ?
C13 N11 Ag1 123.13(19) . . ?
C12 N11 Ag1 119.4(2) . . ?
C18 N31 C31 122.4(2) . . ?
C18 N31 H31 118.8 . . ?
C31 N31 H31 118.8 . . ?
C12 C11 C15 116.7(3) . . ?
C12 C11 C16 118.2(2) . . ?
C15 C11 C16 125.1(2) . . ?
N11 C12 C11 124.0(3) . . ?
N11 C12 H12 118.0 . . ?
C11 C12 H12 118.0 . . ?
N11 C13 C14 122.6(3) . . ?
N11 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
C13 C14 C15 119.3(3) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C14 C15 C11 120.1(3) . . ?
C14 C15 H15 120.0 . . ?
C11 C15 H15 120.0 . . ?
C17 C16 C11 127.8(3) . . ?
C17 C16 H16 116.1 . . ?
C11 C16 H16 116.1 . . ?
C16 C17 C18 121.6(3) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
O18 C18 N31 122.6(3) . . ?
O18 C18 C17 122.2(2) . . ?
N31 C18 C17 115.2(2) . . ?
N31 C31 C32 113.6(2) . . ?
N31 C31 H31A 108.9 . . ?
C32 C31 H31A 108.9 . . ?
N31 C31 H31B 108.9 . . ?
C32 C31 H31B 108.9 . . ?
H31A C31 H31B 107.7 . . ?
C31 C32 C32 113.3(3) . 7_554 ?
C31 C32 H32A 108.9 . . ?
C32 C32 H32A 108.9 7_554 . ?
C31 C32 H32B 108.9 . . ?
C32 C32 H32B 108.9 7_554 . ?
H32A C32 H32B 107.7 . . ?
O101 Cl2 O101 104.0(3) . 2 ?
O101 Cl2 O100 158.3(3) . 2 ?
O101 Cl2 O100 96.1(3) 2 2 ?
O101 Cl2 O100 96.1(3) . . ?
O101 Cl2 O100 158.3(3) 2 . ?
O100 Cl2 O100 65.5(4) 2 . ?
O101 Cl2 O104 94.3(3) . . ?
O101 Cl2 O104 89.3(3) 2 . ?
O100 Cl2 O104 94.1(4) 2 . ?
O100 Cl2 O104 81.1(4) . . ?
O101 Cl2 O104 89.3(3) . 2 ?
O101 Cl2 O104 94.3(3) 2 2 ?
O100 Cl2 O104 81.1(4) 2 2 ?
O100 Cl2 O104 94.1(4) . 2 ?
O104 Cl2 O104 174.3(5) . 2 ?
Cl2 O100 O100 57.3(2) . 2 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N11 Ag1 N11 C13 -54(100) 5_656 . . . ?
N11 Ag1 N11 C12 123(100) 5_656 . . . ?
C13 N11 C12 C11 1.0(4) . . . . ?
Ag1 N11 C12 C11 -175.6(2) . . . . ?
C15 C11 C12 N11 -1.0(4) . . . . ?
C16 C11 C12 N11 178.0(2) . . . . ?
C12 N11 C13 C14 0.0(4) . . . . ?
Ag1 N11 C13 C14 176.5(2) . . . . ?
N11 C13 C14 C15 -1.1(5) . . . . ?
C13 C14 C15 C11 1.1(5) . . . . ?
C12 C11 C15 C14 -0.1(4) . . . . ?
C16 C11 C15 C14 -179.1(3) . . . . ?
C12 C11 C16 C17 175.5(3) . . . . ?
C15 C11 C16 C17 -5.6(5) . . . . ?
C11 C16 C17 C18 -178.2(3) . . . . ?
C31 N31 C18 O18 2.5(4) . . . . ?
C31 N31 C18 C17 -176.1(2) . . . . ?
C16 C17 C18 O18 -3.4(4) . . . . ?
C16 C17 C18 N31 175.1(3) . . . . ?
C18 N31 C31 C32 -89.7(3) . . . . ?
N31 C31 C32 C32 -68.0(3) . . . 7_554 ?
O101 Cl2 O100 O100 168.0(5) . . . 2 ?
O101 Cl2 O100 O100 -34.0(12) 2 . . 2 ?
O104 Cl2 O100 O100 -98.7(6) . . . 2 ?
O104 Cl2 O100 O100 78.3(6) 2 . . 2 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.809
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.086
_database_code_depnum_ccdc_archive 'CCDC 965792'

data_3'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H22 Ag Cl N4 O6'
_chemical_formula_weight         557.74

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'
Cl Cl 0.1484 0.1585 '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   C2

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

_cell_length_a                   19.871(2)
_cell_length_b                   9.8406(10)
_cell_length_c                   23.807(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 110.762(3)
_cell_angle_gamma                90.00
_cell_volume                     4352.9(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8560
_cell_measurement_theta_min      0.91
_cell_measurement_theta_max      26.35

_exptl_crystal_description       'rectangular block'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2256
_exptl_absorpt_coefficient_mu    1.094
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.843
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker CCD APEX-2'
_diffrn_measurement_method       hemisphere
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28146
_diffrn_reflns_av_R_equivalents  0.0797
_diffrn_reflns_av_sigmaI/netI    0.1001
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         0.91
_diffrn_reflns_theta_max         26.35
_reflns_number_total             8560
_reflns_number_gt                4649
_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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_number_reflns         8560
_refine_ls_number_parameters     558
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1521
_refine_ls_R_factor_gt           0.0708
_refine_ls_wR_factor_ref         0.2057
_refine_ls_wR_factor_gt          0.1648
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.019
_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 0.87686(6) 0.45393(9) 0.86296(4) 0.0720(4) Uani 1 1 d . . .
Ag2 Ag 0.88489(6) 0.91426(9) 1.37433(4) 0.0742(4) Uani 1 1 d . . .
Cl2 Cl 1.0000 0.6991(9) 1.5000 0.119(2) Uani 1 2 d S . .
Cl1 Cl 0.7217(2) 0.6620(4) 0.7409(2) 0.0910(13) Uani 1 1 d . . .
Cl3 Cl 1.0000 0.2389(7) 1.0000 0.186(5) Uani 1 2 d S . .
O21A O 1.2489(5) 0.8470(9) 1.5332(4) 0.069(3) Uani 1 1 d . . .
N11A N 1.3963(6) 0.5764(11) 1.4359(4) 0.057(3) Uani 1 1 d . . .
O11A O 1.4654(5) 0.5050(8) 1.6991(4) 0.069(3) Uani 1 1 d . . .
C11A C 1.3923(6) 0.6551(10) 1.5301(4) 0.048(3) Uani 1 1 d . . .
C12A C 1.3929(6) 0.5557(12) 1.4895(5) 0.048(3) Uani 1 1 d . . .
H12A H 1.3907 0.4659 1.5010 0.058 Uiso 1 1 calc R . .
C13A C 1.4027(8) 0.7073(15) 1.4191(5) 0.081(5) Uani 1 1 d . . .
H13A H 1.4030 0.7257 1.3809 0.097 Uiso 1 1 calc R . .
C14A C 1.4087(12) 0.8097(15) 1.4584(7) 0.126(8) Uani 1 1 d . . .
H14A H 1.4170 0.8976 1.4480 0.151 Uiso 1 1 calc R . .
C15A C 1.4026(11) 0.7861(13) 1.5137(6) 0.108(7) Uani 1 1 d . . .
H15A H 1.4055 0.8580 1.5397 0.129 Uiso 1 1 calc R . .
C16A C 1.3808(6) 0.6173(11) 1.5871(4) 0.039(3) Uani 1 1 d . . .
H16A H 1.3943 0.5221 1.5970 0.047 Uiso 1 1 calc R . .
C17A C 1.4148(6) 0.7080(11) 1.6446(4) 0.040(3) Uani 1 1 d . . .
H17A H 1.4374 0.7912 1.6372 0.048 Uiso 1 1 calc R . .
C18A C 1.4615(6) 0.6285(11) 1.6970(5) 0.042(3) Uani 1 1 d . . .
N21A N 1.3475(5) 0.7832(11) 1.8043(4) 0.054(3) Uani 1 1 d . . .
C21A C 1.3272(5) 0.6992(11) 1.7040(4) 0.037(2) Uani 1 1 d . . .
C22A C 1.3434(6) 0.8032(11) 1.7460(5) 0.043(3) Uani 1 1 d . . .
H22A H 1.3518 0.8899 1.7343 0.052 Uiso 1 1 calc R . .
C23A C 1.3309(7) 0.6573(15) 1.8199(5) 0.063(3) Uani 1 1 d . . .
H23A H 1.3330 0.6415 1.8591 0.075 Uiso 1 1 calc R . .
C24A C 1.3112(6) 0.5543(14) 1.7787(5) 0.058(3) Uani 1 1 d . . .
H24A H 1.2979 0.4704 1.7894 0.070 Uiso 1 1 calc R . .
C25A C 1.3112(7) 0.5740(12) 1.7220(5) 0.055(3) Uani 1 1 d . . .
H25A H 1.3001 0.5019 1.6950 0.066 Uiso 1 1 calc R . .
C26A C 1.3372(6) 0.7308(10) 1.6460(4) 0.041(3) Uani 1 1 d . . .
H26A H 1.3239 0.8260 1.6359 0.049 Uiso 1 1 calc R . .
C27A C 1.3021(5) 0.6434(10) 1.5885(4) 0.037(3) Uani 1 1 d . . .
H27A H 1.2796 0.5604 1.5963 0.044 Uiso 1 1 calc R . .
C28A C 1.2542(6) 0.7194(11) 1.5332(5) 0.042(3) Uani 1 1 d . . .
N31A N 0.7338(5) 0.6883(9) 0.9963(5) 0.047(3) Uani 1 1 d . . .
H31A H 0.7361 0.6010 0.9970 0.057 Uiso 1 1 calc R . .
N32A N 1.4990(5) 0.7063(10) 1.7454(4) 0.050(3) Uani 1 1 d . . .
H32A H 1.4985 0.7932 1.7414 0.060 Uiso 1 1 calc R . .
C31A C 0.6871(7) 0.7568(13) 0.9437(5) 0.058(3) Uani 1 1 d . . .
H31B H 0.6614 0.8278 0.9561 0.069 Uiso 1 1 calc . . .
H31C H 0.7163 0.8001 0.9237 0.069 Uiso 1 1 calc . . .
C32A C 0.6357(7) 0.6695(14) 0.9016(5) 0.064(4) Uani 1 1 d . . .
H32B H 0.6048 0.6305 0.9211 0.076 Uiso 1 1 calc . . .
H32C H 0.6615 0.5952 0.8915 0.076 Uiso 1 1 calc . . .
C33A C 0.5897(7) 0.7350(12) 0.8453(5) 0.062(4) Uani 1 1 d . . .
H33A H 0.5634 0.8082 0.8555 0.074 Uiso 1 1 calc . . .
H33B H 0.6207 0.7755 0.8263 0.074 Uiso 1 1 calc . . .
C34A C 1.5389(6) 0.6490(13) 1.8023(5) 0.061(4) Uani 1 1 d . . .
H34A H 1.5647 0.5706 1.7956 0.073 Uiso 1 1 calc . . .
H34B H 1.5050 0.6161 1.8200 0.073 Uiso 1 1 calc . . .
O11B O 0.7711(5) 0.8849(9) 1.0463(4) 0.076(3) Uani 1 1 d . . .
N11B N 0.8743(6) 0.7636(12) 1.3084(4) 0.064(3) Uani 1 1 d . . .
C11B C 0.8679(5) 0.7057(11) 1.2082(4) 0.038(3) Uani 1 1 d . . .
C12B C 0.8703(6) 0.7954(11) 1.2547(5) 0.047(3) Uani 1 1 d . . .
H12B H 0.8688 0.8877 1.2458 0.056 Uiso 1 1 calc R . .
C13B C 0.8750(7) 0.6240(15) 1.3208(5) 0.063(4) Uani 1 1 d . . .
H13B H 0.8755 0.5958 1.3583 0.076 Uiso 1 1 calc R . .
C14B C 0.8748(7) 0.5290(12) 1.2792(6) 0.059(3) Uani 1 1 d . . .
H14B H 0.8769 0.4373 1.2892 0.071 Uiso 1 1 calc R . .
C15B C 0.8717(6) 0.5655(12) 1.2240(5) 0.054(3) Uani 1 1 d . . .
H15B H 0.8721 0.4994 1.1962 0.065 Uiso 1 1 calc R . .
C18B C 0.7735(7) 0.7601(15) 1.0440(5) 0.056(3) Uani 1 1 d . . .
C17B C 0.8286(6) 0.6761(11) 1.0913(5) 0.037(3) Uani 1 1 d . . .
H17B H 0.8086 0.5902 1.0992 0.044 Uiso 1 1 calc R . .
C16B C 0.8682(6) 0.7601(11) 1.1512(5) 0.044(3) Uani 1 1 d . . .
H16B H 0.8526 0.8552 1.1463 0.053 Uiso 1 1 calc R . .
O21B O 1.0182(4) 0.5587(8) 1.1849(3) 0.061(2) Uani 1 1 d . . .
N21B N 0.8939(5) 0.6210(9) 0.9253(4) 0.050(2) Uani 1 1 d . . .
C21B C 0.9032(5) 0.6932(11) 1.0219(4) 0.040(3) Uani 1 1 d . . .
C22B C 0.8995(5) 0.5969(13) 0.9801(4) 0.045(3) Uani 1 1 d . . .
H22B H 0.9011 0.5064 0.9918 0.054 Uiso 1 1 calc R . .
C23B C 0.8947(6) 0.7472(12) 0.9073(5) 0.050(3) Uani 1 1 d . . .
H23B H 0.8901 0.7634 0.8676 0.060 Uiso 1 1 calc R . .
C24B C 0.9025(7) 0.8585(13) 0.9463(5) 0.059(3) Uani 1 1 d . . .
H24B H 0.9054 0.9477 0.9344 0.071 Uiso 1 1 calc R . .
C25B C 0.9053(6) 0.8265(12) 1.0017(5) 0.054(3) Uani 1 1 d . . .
H25B H 0.9089 0.8971 1.0285 0.064 Uiso 1 1 calc R . .
C26B C 0.9009(6) 0.6562(9) 1.0819(4) 0.035(3) Uani 1 1 d . . .
H26B H 0.9158 0.5611 1.0902 0.041 Uiso 1 1 calc R . .
C27B C 0.9408(5) 0.7427(12) 1.1392(4) 0.039(3) Uani 1 1 d . . .
H27B H 0.9557 0.8301 1.1277 0.046 Uiso 1 1 calc R . .
C28B C 1.0018(5) 0.6787(12) 1.1869(4) 0.042(3) Uani 1 1 d . . .
N31B N 1.2204(5) 0.6426(10) 1.4856(4) 0.056(3) Uani 1 1 d . . .
H31D H 1.2251 0.5558 1.4888 0.067 Uiso 1 1 calc R . .
N32B N 1.0386(5) 0.7586(10) 1.2323(4) 0.058(3) Uani 1 1 d . . .
H32D H 1.0283 0.8437 1.2299 0.070 Uiso 1 1 calc R . .
C31B C 1.1742(9) 0.7021(18) 1.4267(6) 0.087(6) Uani 1 1 d . . .
H31E H 1.1447 0.7737 1.4339 0.104 Uiso 1 1 calc . . .
H31F H 1.2049 0.7426 1.4074 0.104 Uiso 1 1 calc . . .
C32B C 1.1296(10) 0.6055(16) 1.3883(7) 0.113(7) Uani 1 1 d . . .
H32E H 1.1072 0.5522 1.4111 0.135 Uiso 1 1 calc . . .
H32F H 1.1596 0.5443 1.3754 0.135 Uiso 1 1 calc . . .
C33B C 1.0691(8) 0.6610(14) 1.3312(6) 0.073(4) Uani 1 1 d . . .
H33C H 1.0344 0.5892 1.3142 0.087 Uiso 1 1 calc . . .
H33D H 1.0443 0.7344 1.3430 0.087 Uiso 1 1 calc . . .
C34B C 1.0952(6) 0.7101(14) 1.2857(5) 0.057(3) Uani 1 1 d . . .
H34C H 1.1210 0.6373 1.2746 0.069 Uiso 1 1 calc . . .
H34D H 1.1291 0.7834 1.3024 0.069 Uiso 1 1 calc . . .
O101 O 0.7511(12) 0.720(3) 0.7998(8) 0.295(16) Uani 1 1 d . . .
O102 O 0.7496(7) 0.5573(12) 0.7386(11) 0.307(19) Uani 1 1 d . . .
O103 O 0.7330(6) 0.7754(12) 0.7045(7) 0.126(5) Uani 1 1 d . . .
O104 O 0.6469(5) 0.6441(11) 0.7248(4) 0.085(3) Uani 1 1 d . . .
O201 O 0.9929(12) 0.590(3) 1.5431(10) 0.223(9) Uiso 1 1 d . . .
O202 O 0.9311(12) 0.696(2) 1.4730(10) 0.214(9) Uiso 1 1 d . . .
O301 O 1.007(2) 0.137(3) 0.9778(17) 0.332(18) Uiso 1 1 d . . .
O302 O 1.0038(12) 0.322(3) 0.9547(9) 0.221(8) 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 N21A 2.130(10) 3_444 ?
Ag1 N21B 2.159(9) . ?
Ag2 N11B 2.114(10) . ?
Ag2 N11A 2.123(10) 3_455 ?
Cl2 O202 1.29(2) . ?
Cl2 O202 1.29(2) 2_758 ?
Cl2 O201 1.53(2) 2_758 ?
Cl2 O201 1.53(2) . ?
Cl1 O102 1.181(14) . ?
Cl1 O101 1.434(19) . ?
Cl1 O104 1.408(9) . ?
Cl1 O103 1.479(12) . ?
Cl3 O301 1.17(3) . ?
Cl3 O301 1.17(3) 2_757 ?
Cl3 O302 1.37(2) . ?
Cl3 O302 1.37(2) 2_757 ?
O21A C28A 1.261(13) . ?
N11A C12A 1.320(14) . ?
N11A C13A 1.368(17) . ?
N11A Ag2 2.123(10) 3_545 ?
O11A C18A 1.218(13) . ?
C11A C12A 1.377(14) . ?
C11A C15A 1.383(16) . ?
C11A C16A 1.502(13) . ?
C13A C14A 1.35(2) . ?
C14A C15A 1.383(19) . ?
C16A C17A 1.572(14) . ?
C16A C27A 1.595(15) . ?
C17A C18A 1.486(15) . ?
C17A C26A 1.569(15) . ?
C18A N32A 1.364(13) . ?
N21A C23A 1.368(17) . ?
N21A C22A 1.375(13) . ?
N21A Ag1 2.130(10) 3_556 ?
C21A C25A 1.378(15) . ?
C21A C22A 1.387(14) . ?
C21A C26A 1.494(14) . ?
C23A C24A 1.369(18) . ?
C24A C25A 1.364(15) . ?
C26A C27A 1.557(13) . ?
C27A C28A 1.520(14) . ?
C28A N31B 1.329(14) . ?
N31A C18B 1.333(15) . ?
N31A C31A 1.434(14) . ?
N32A C34A 1.421(13) . ?
C31A C32A 1.437(17) . ?
C32A C33A 1.476(17) . ?
C33A C34A 1.431(16) 1_454 ?
C34A C33A 1.431(16) 1_656 ?
O11B C18B 1.231(15) . ?
N11B C12B 1.292(15) . ?
N11B C13B 1.405(17) . ?
C11B C12B 1.403(15) . ?
C11B C16B 1.462(14) . ?
C11B C15B 1.425(16) . ?
C13B C14B 1.361(17) . ?
C14B C15B 1.342(15) . ?
C18B C17B 1.509(16) . ?
C17B C26B 1.544(15) . ?
C17B C16B 1.594(16) . ?
C16B C27B 1.575(15) . ?
O21B C28B 1.230(13) . ?
N21B C22B 1.293(13) . ?
N21B C23B 1.315(14) . ?
C21B C22B 1.357(14) . ?
C21B C25B 1.403(16) . ?
C21B C26B 1.489(13) . ?
C23B C24B 1.409(16) . ?
C24B C25B 1.337(15) . ?
C26B C27B 1.565(13) . ?
C27B C28B 1.476(14) . ?
C28B N32B 1.327(13) . ?
N31B C31B 1.495(16) . ?
N32B C34B 1.447(13) . ?
C31B C32B 1.40(2) . ?
C32B C33B 1.559(19) . ?
C33B C34B 1.439(19) . ?
O301 O301 1.19(7) 2_757 ?

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
N21A Ag1 N21B 172.3(4) 3_444 . ?
N11B Ag2 N11A 175.7(4) . 3_455 ?
O202 Cl2 O202 177(2) . 2_758 ?
O202 Cl2 O201 88.9(13) . 2_758 ?
O202 Cl2 O201 89.0(13) 2_758 2_758 ?
O202 Cl2 O201 89.0(13) . . ?
O202 Cl2 O201 88.9(13) 2_758 . ?
O201 Cl2 O201 90.4(17) 2_758 . ?
O102 Cl1 O101 111.0(16) . . ?
O102 Cl1 O104 110.3(9) . . ?
O101 Cl1 O104 110.0(12) . . ?
O102 Cl1 O103 117.3(12) . . ?
O101 Cl1 O103 100.2(11) . . ?
O104 Cl1 O103 107.5(7) . . ?
O301 Cl3 O301 61(3) . 2_757 ?
O301 Cl3 O302 96.0(17) . . ?
O301 Cl3 O302 156(2) 2_757 . ?
O301 Cl3 O302 156(2) . 2_757 ?
O301 Cl3 O302 96.0(17) 2_757 2_757 ?
O302 Cl3 O302 107(2) . 2_757 ?
C12A N11A C13A 118.0(11) . . ?
C12A N11A Ag2 121.5(8) . 3_545 ?
C13A N11A Ag2 120.3(8) . 3_545 ?
C12A C11A C15A 115.1(10) . . ?
C12A C11A C16A 120.0(10) . . ?
C15A C11A C16A 124.9(10) . . ?
N11A C12A C11A 125.8(11) . . ?
C14A C13A N11A 119.7(11) . . ?
C13A C14A C15A 121.1(13) . . ?
C14A C15A C11A 119.8(12) . . ?
C11A C16A C17A 119.4(9) . . ?
C11A C16A C27A 116.3(9) . . ?
C17A C16A C27A 90.8(8) . . ?
C18A C17A C16A 112.3(9) . . ?
C18A C17A C26A 112.6(9) . . ?
C16A C17A C26A 88.7(8) . . ?
O11A C18A N32A 121.1(10) . . ?
O11A C18A C17A 124.9(10) . . ?
N32A C18A C17A 113.9(9) . . ?
C23A N21A C22A 118.1(10) . . ?
C23A N21A Ag1 124.9(8) . 3_556 ?
C22A N21A Ag1 117.0(8) . 3_556 ?
C25A C21A C22A 117.1(10) . . ?
C25A C21A C26A 126.5(9) . . ?
C22A C21A C26A 116.1(9) . . ?
N21A C22A C21A 122.5(10) . . ?
N21A C23A C24A 120.7(11) . . ?
C25A C24A C23A 120.3(12) . . ?
C24A C25A C21A 121.1(11) . . ?
C21A C26A C27A 122.1(9) . . ?
C21A C26A C17A 116.3(8) . . ?
C27A C26A C17A 92.3(7) . . ?
C26A C27A C28A 116.0(9) . . ?
C26A C27A C16A 88.2(7) . . ?
C28A C27A C16A 112.2(9) . . ?
O21A C28A N31B 123.4(10) . . ?
O21A C28A C27A 121.1(10) . . ?
N31B C28A C27A 115.6(10) . . ?
C18B N31A C31A 119.9(10) . . ?
C18A N32A C34A 122.4(9) . . ?
C32A C31A N31A 114.1(10) . . ?
C31A C32A C33A 115.5(11) . . ?
C34A C33A C32A 116.4(11) 1_454 . ?
N32A C34A C33A 117.5(11) . 1_656 ?
C12B N11B C13B 116.0(11) . . ?
C12B N11B Ag2 121.3(9) . . ?
C13B N11B Ag2 122.6(9) . . ?
C12B C11B C16B 119.5(10) . . ?
C12B C11B C15B 114.6(9) . . ?
C16B C11B C15B 125.7(10) . . ?
N11B C12B C11B 127.0(11) . . ?
C14B C13B N11B 121.4(11) . . ?
C15B C14B C13B 121.1(11) . . ?
C14B C15B C11B 119.8(10) . . ?
O11B C18B N31A 123.1(11) . . ?
O11B C18B C17B 122.9(11) . . ?
N31A C18B C17B 113.5(11) . . ?
C18B C17B C26B 115.3(9) . . ?
C18B C17B C16B 112.4(10) . . ?
C26B C17B C16B 90.3(7) . . ?
C11B C16B C27B 115.7(9) . . ?
C11B C16B C17B 118.5(9) . . ?
C27B C16B C17B 88.6(8) . . ?
C22B N21B C23B 119.7(10) . . ?
C22B N21B Ag1 119.4(8) . . ?
C23B N21B Ag1 120.8(7) . . ?
C22B C21B C25B 113.7(10) . . ?
C22B C21B C26B 121.4(10) . . ?
C25B C21B C26B 124.9(9) . . ?
N21B C22B C21B 125.1(12) . . ?
N21B C23B C24B 122.1(10) . . ?
C25B C24B C23B 115.0(12) . . ?
C24B C25B C21B 124.2(11) . . ?
C21B C26B C17B 117.0(8) . . ?
C21B C26B C27B 121.7(9) . . ?
C17B C26B C27B 90.8(7) . . ?
C28B C27B C16B 117.5(8) . . ?
C28B C27B C26B 117.6(9) . . ?
C16B C27B C26B 90.2(8) . . ?
O21B C28B N32B 121.5(10) . . ?
O21B C28B C27B 122.5(10) . . ?
N32B C28B C27B 116.1(10) . . ?
C28A N31B C31B 122.2(11) . . ?
C28B N32B C34B 123.5(10) . . ?
C32B C31B N31B 112.5(14) . . ?
C31B C32B C33B 116.5(13) . . ?
C34B C33B C32B 113.6(14) . . ?
C33B C34B N32B 113.3(11) . . ?
Cl3 O301 O301 59.3(16) . 2_757 ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        26.35
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         1.495
_refine_diff_density_min         -0.698
_refine_diff_density_rms         0.117
_database_code_depnum_ccdc_archive 'CCDC 965793'

data_4

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H18 Ag N5 O5'
_chemical_formula_weight         492.24

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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   10.839(5)
_cell_length_b                   11.156(5)
_cell_length_c                   17.108(7)
_cell_angle_alpha                76.789(13)
_cell_angle_beta                 80.643(13)
_cell_angle_gamma                69.187(12)
_cell_volume                     1874.9(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6764
_cell_measurement_theta_min      1.23
_cell_measurement_theta_max      25.50

_exptl_crystal_description       'plate like'
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             992
_exptl_absorpt_coefficient_mu    1.118
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.840
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker CCD APEX-2'
_diffrn_measurement_method       hemisphere
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22263
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_sigmaI/netI    0.0709
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.23
_diffrn_reflns_theta_max         25.50
_reflns_number_total             6764
_reflns_number_gt                3731
_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)+(0.0800P)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         6764
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1474
_refine_ls_R_factor_gt           0.0791
_refine_ls_wR_factor_ref         0.1889
_refine_ls_wR_factor_gt          0.1693
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_restrained_S_all      1.140
_refine_ls_shift/su_max          0.015
_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 1.76418(6) -2.00428(6) 0.23805(4) 0.0810(3) Uani 1 1 d . . .
Ag2 Ag 1.76602(6) -1.52188(7) 0.25022(4) 0.0844(3) Uani 1 1 d . . .
N11A N 1.9351(6) -1.6651(6) 0.1965(4) 0.0618(17) Uani 1 1 d . . .
C11A C 2.0644(6) -1.8901(6) 0.2005(4) 0.0449(17) Uani 1 1 d . . .
C12A C 1.9655(7) -1.7898(7) 0.2339(5) 0.059(2) Uani 1 1 d . . .
H12A H 1.9200 -1.8105 0.2833 0.071 Uiso 1 1 calc R . .
C13A C 1.9989(8) -1.6342(8) 0.1276(5) 0.070(2) Uani 1 1 d . . .
H13A H 1.9784 -1.5466 0.1035 0.084 Uiso 1 1 calc R . .
C14A C 2.0939(8) -1.7247(8) 0.0899(5) 0.074(2) Uani 1 1 d . . .
H14A H 2.1362 -1.7003 0.0402 0.089 Uiso 1 1 calc R . .
C15A C 2.1256(8) -1.8524(8) 0.1269(5) 0.068(2) Uani 1 1 d . . .
H15A H 2.1904 -1.9156 0.1017 0.081 Uiso 1 1 calc R . .
C16A C 2.0902(6) -2.0248(6) 0.2438(4) 0.0467(17) Uani 1 1 d . . .
H16A H 2.0357 -2.0381 0.2905 0.056 Uiso 1 1 calc R . .
C17A C 2.1827(7) -2.1282(7) 0.2229(4) 0.0473(17) Uani 1 1 d . . .
H17A H 2.2403 -2.1179 0.1772 0.057 Uiso 1 1 calc R . .
C18A C 2.1980(6) -2.2595(6) 0.2692(4) 0.0420(16) Uani 1 1 d . . .
N21A N 2.5987(6) -3.3824(6) 0.3024(4) 0.0639(18) Uani 1 1 d . . .
C21A C 2.4648(6) -3.1549(7) 0.3037(4) 0.0469(17) Uani 1 1 d . . .
C22A C 2.5650(6) -3.2543(6) 0.2682(5) 0.0511(18) Uani 1 1 d . . .
H22A H 2.6096 -3.2304 0.2192 0.061 Uiso 1 1 calc R . .
C23A C 2.5323(8) -3.4146(8) 0.3706(5) 0.071(2) Uani 1 1 d . . .
H23A H 2.5521 -3.5024 0.3940 0.085 Uiso 1 1 calc R . .
C24A C 2.4336(8) -3.3225(7) 0.4091(5) 0.067(2) Uani 1 1 d . . .
H24A H 2.3895 -3.3482 0.4578 0.080 Uiso 1 1 calc R . .
C25A C 2.4029(7) -3.1958(8) 0.3747(5) 0.058(2) Uani 1 1 d . . .
H25A H 2.3369 -3.1341 0.4005 0.070 Uiso 1 1 calc R . .
C26A C 2.4400(7) -3.0188(7) 0.2616(4) 0.0510(18) Uani 1 1 d . . .
H26A H 2.4922 -3.0053 0.2138 0.061 Uiso 1 1 calc R . .
C27A C 2.3518(7) -2.9149(6) 0.2847(4) 0.0482(17) Uani 1 1 d . . .
H27A H 2.2968 -2.9261 0.3315 0.058 Uiso 1 1 calc R . .
C28A C 2.3350(7) -2.7800(7) 0.2400(4) 0.0471(17) Uani 1 1 d . . .
O18A O 2.1317(5) -2.2817(5) 0.3347(3) 0.0624(14) Uani 1 1 d . . .
O28A O 2.4041(5) -2.7613(5) 0.1749(3) 0.0623(14) Uani 1 1 d . . .
N1A N 2.2886(5) -2.3574(5) 0.2358(3) 0.0463(14) Uani 1 1 d . . .
H1A H 2.3344 -2.3374 0.1920 0.056 Uiso 1 1 calc R . .
C1A C 2.3133(7) -2.4968(6) 0.2703(4) 0.0528(19) Uani 1 1 d . . .
H1A1 H 2.2966 -2.5080 0.3285 0.063 Uiso 1 1 calc . . .
H1A2 H 2.4054 -2.5459 0.2573 0.063 Uiso 1 1 calc . . .
C2A C 2.2255(7) -2.5488(7) 0.2376(4) 0.058(2) Uani 1 1 d . . .
H2A1 H 2.1335 -2.4979 0.2491 0.069 Uiso 1 1 calc . . .
H2A2 H 2.2440 -2.5397 0.1795 0.069 Uiso 1 1 calc . . .
N2A N 2.2463(5) -2.6850(5) 0.2728(3) 0.0509(15) Uani 1 1 d . . .
H2A H 2.1994 -2.7043 0.3162 0.061 Uiso 1 1 calc R . .
N11B N 1.7721(6) -2.1463(6) 0.3481(4) 0.0605(17) Uani 1 1 d . . .
C11B C 1.8333(6) -2.3678(7) 0.4169(4) 0.0491(18) Uani 1 1 d . . .
C12B C 1.8367(7) -2.2686(8) 0.3509(4) 0.059(2) Uani 1 1 d . . .
H12B H 1.8903 -2.2929 0.3050 0.071 Uiso 1 1 calc R . .
C13B C 1.6925(8) -2.1087(7) 0.4152(6) 0.069(2) Uani 1 1 d . . .
H13B H 1.6437 -2.0210 0.4143 0.083 Uiso 1 1 calc R . .
C14B C 1.6840(8) -2.1987(9) 0.4835(5) 0.073(2) Uani 1 1 d . . .
H14B H 1.6314 -2.1713 0.5290 0.088 Uiso 1 1 calc R . .
C15B C 1.7514(7) -2.3275(8) 0.4853(4) 0.062(2) Uani 1 1 d . . .
H15B H 1.7435 -2.3886 0.5313 0.074 Uiso 1 1 calc R . .
C16B C 1.9063(7) -2.5009(7) 0.4122(4) 0.0533(19) Uani 1 1 d . . .
H16B H 1.9520 -2.5155 0.3624 0.064 Uiso 1 1 calc R . .
C17B C 1.9182(7) -2.6075(7) 0.4692(4) 0.0514(18) Uani 1 1 d . . .
H17B H 1.8770 -2.5959 0.5203 0.062 Uiso 1 1 calc R . .
C18B C 1.9904(7) -2.7396(7) 0.4572(4) 0.0490(18) Uani 1 1 d . . .
N21B N 1.7549(7) -1.8573(6) 0.1296(4) 0.0669(19) Uani 1 1 d . . .
C21B C 1.6893(7) -1.7362(7) 0.1326(5) 0.056(2) Uani 1 1 d . . .
H21B H 1.6414 -1.7161 0.1809 0.067 Uiso 1 1 calc R . .
C22B C 1.6863(7) -1.6321(7) 0.0665(4) 0.0508(18) Uani 1 1 d . . .
C23B C 1.7615(7) -1.6674(7) -0.0036(5) 0.060(2) Uani 1 1 d . . .
H23B H 1.7660 -1.6036 -0.0487 0.072 Uiso 1 1 calc R . .
C24B C 1.8282(8) -1.7946(8) -0.0063(5) 0.072(2) Uani 1 1 d . . .
H24B H 1.8758 -1.8182 -0.0540 0.087 Uiso 1 1 calc R . .
C25B C 1.8260(8) -1.8878(7) 0.0597(6) 0.068(2) Uani 1 1 d . . .
H25B H 1.8743 -1.9745 0.0572 0.082 Uiso 1 1 calc R . .
C26B C 1.6129(6) -1.5018(7) 0.0765(4) 0.0484(18) Uani 1 1 d . . .
H26B H 1.5770 -1.4920 0.1288 0.058 Uiso 1 1 calc R . .
C27B C 1.5880(7) -1.3914(7) 0.0219(4) 0.0511(18) Uani 1 1 d . . .
H27B H 1.6190 -1.3974 -0.0316 0.061 Uiso 1 1 calc R . .
C28B C 1.5164(7) -1.2640(7) 0.0403(5) 0.0498(18) Uani 1 1 d . . .
O18B O 2.0601(5) -2.7666(5) 0.3938(3) 0.0653(14) Uani 1 1 d . . .
O28B O 1.4577(5) -1.2474(5) 0.1078(3) 0.0655(14) Uani 1 1 d . . .
N1B N 1.9817(6) -2.8362(6) 0.5199(3) 0.0548(16) Uani 1 1 d . . .
H1B H 1.9368 -2.8149 0.5639 0.066 Uiso 1 1 calc R . .
C1B C 2.0442(7) -2.9735(7) 0.5168(5) 0.061(2) Uani 1 1 d . . .
H1B1 H 2.0638 -3.0222 0.5706 0.074 Uiso 1 1 calc . . .
H1B2 H 2.1273 -2.9861 0.4832 0.074 Uiso 1 1 calc . . .
C2B C 1.4535(7) -1.0271(7) -0.0115(5) 0.062(2) Uani 1 1 d . . .
H2B1 H 1.3795 -1.0210 0.0296 0.074 Uiso 1 1 calc . . .
H2B2 H 1.4187 -0.9751 -0.0618 0.074 Uiso 1 1 calc . . .
N2B N 1.5159(6) -1.1609(6) -0.0207(3) 0.0546(16) Uani 1 1 d . . .
H2B H 1.5548 -1.1768 -0.0670 0.065 Uiso 1 1 calc R . .
N100 N 1.6437(11) -1.7641(8) 0.3719(7) 0.095(3) Uani 1 1 d . . .
O102 O 1.5861(16) -1.7839(17) 0.4281(9) 0.298(10) Uani 1 1 d . . .
O101 O 1.6175(18) -1.7851(16) 0.3222(6) 0.295(11) Uani 1 1 d . . .
O103 O 1.7248(10) -1.7186(9) 0.3869(7) 0.163(4) Uani 1 1 d . . .
N200 N 1.8712(10) -1.2639(9) 0.1331(5) 0.083(2) Uani 1 1 d . . .
O204 O 1.8052(13) -1.1678(12) 0.1148(8) 0.162(6) Uani 0.75 1 d P . .
O203 O 1.9540(15) -1.3526(12) 0.1560(11) 0.205(8) Uani 0.75 1 d P . .
O202 O 1.9433(17) -1.2148(19) 0.1606(8) 0.171(6) Uani 0.75 1 d P . .
O201 O 1.8002(12) -1.3190(13) 0.1112(8) 0.141(4) Uani 0.75 1 d P . .


_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 N11B 2.157(6) . ?
Ag1 N21B 2.166(6) . ?
Ag2 N21A 2.147(7) 1_475 ?
Ag2 N11A 2.190(6) . ?
N11A C12A 1.338(9) . ?
N11A C13A 1.306(10) . ?
C11A C15A 1.373(10) . ?
C11A C12A 1.404(10) . ?
C11A C16A 1.465(9) . ?
C13A C14A 1.355(11) . ?
C14A C15A 1.364(10) . ?
C16A C17A 1.309(9) . ?
C17A C18A 1.464(9) . ?
C18A O18A 1.253(7) . ?
C18A N1A 1.351(8) . ?
N21A C23A 1.314(10) . ?
N21A C22A 1.354(9) . ?
N21A Ag2 2.147(7) 1_635 ?
C21A C25A 1.355(9) . ?
C21A C22A 1.420(9) . ?
C21A C26A 1.472(9) . ?
C23A C24A 1.391(11) . ?
C24A C25A 1.343(10) . ?
C26A C27A 1.309(9) . ?
C27A C28A 1.487(9) . ?
C28A O28A 1.255(8) . ?
C28A N2A 1.317(9) . ?
N1A C1A 1.474(8) . ?
C1A C2A 1.506(11) . ?
C2A N2A 1.450(9) . ?
N11B C13B 1.370(10) . ?
N11B C12B 1.287(9) . ?
C11B C12B 1.395(9) . ?
C11B C15B 1.407(10) . ?
C11B C16B 1.427(10) . ?
C13B C14B 1.370(11) . ?
C14B C15B 1.356(11) . ?
C16B C17B 1.335(9) . ?
C17B C18B 1.447(10) . ?
C18B O18B 1.248(8) . ?
C18B N1B 1.354(8) . ?
N21B C21B 1.293(9) . ?
N21B C25B 1.357(10) . ?
C21B C22B 1.418(9) . ?
C22B C23B 1.389(10) . ?
C22B C26B 1.422(10) . ?
C23B C24B 1.352(11) . ?
C24B C25B 1.352(11) . ?
C26B C27B 1.335(9) . ?
C27B C28B 1.437(10) . ?
C28B O28B 1.243(8) . ?
C28B N2B 1.364(9) . ?
N1B C1B 1.449(9) . ?
C1B C1B 1.526(15) 2_9/6 ?
C2B N2B 1.438(9) . ?
C2B C2B 1.485(14) 2_835 ?
N100 O101 1.037(14) . ?
N100 O102 1.080(12) . ?
N100 O103 1.244(12) . ?
O102 O101 1.790(16) . ?
O102 O103 1.867(15) . ?
N200 O204 1.065(12) . ?
N200 O203 1.115(14) . ?
N200 O201 1.284(14) . ?
N200 O202 1.292(17) . ?
O204 O202 1.663(19) . ?
O204 O201 1.722(18) . ?
O203 O202 1.52(2) . ?

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
N11B Ag1 N21B 178.3(2) . . ?
N21A Ag2 N11A 179.3(2) 1_475 . ?
C12A N11A C13A 120.1(7) . . ?
C12A N11A Ag2 117.3(6) . . ?
C13A N11A Ag2 122.5(6) . . ?
C15A C11A C12A 116.0(7) . . ?
C15A C11A C16A 125.4(6) . . ?
C12A C11A C16A 118.6(6) . . ?
N11A C12A C11A 121.5(7) . . ?
N11A C13A C14A 122.6(8) . . ?
C15A C14A C13A 118.2(8) . . ?
C14A C15A C11A 121.7(8) . . ?
C17A C16A C11A 126.1(7) . . ?
C16A C17A C18A 121.9(6) . . ?
O18A C18A N1A 121.5(6) . . ?
O18A C18A C17A 123.4(6) . . ?
N1A C18A C17A 115.1(6) . . ?
C23A N21A C22A 117.6(7) . . ?
C23A N21A Ag2 122.4(6) . 1_635 ?
C22A N21A Ag2 119.8(5) . 1_635 ?
C25A C21A C22A 115.7(7) . . ?
C25A C21A C26A 126.4(7) . . ?
C22A C21A C26A 117.8(6) . . ?
N21A C22A C21A 123.1(7) . . ?
N21A C23A C24A 122.5(8) . . ?
C23A C24A C25A 119.0(8) . . ?
C21A C25A C24A 122.1(8) . . ?
C27A C26A C21A 126.5(7) . . ?
C26A C27A C28A 123.4(7) . . ?
O28A C28A N2A 123.5(6) . . ?
O28A C28A C27A 120.1(7) . . ?
N2A C28A C27A 116.3(6) . . ?
C18A N1A C1A 123.7(5) . . ?
N1A C1A C2A 110.9(6) . . ?
N2A C2A C1A 111.4(6) . . ?
C28A N2A C2A 121.8(6) . . ?
C13B N11B C12B 118.0(7) . . ?
C13B N11B Ag1 119.1(5) . . ?
C12B N11B Ag1 122.4(6) . . ?
C12B C11B C15B 115.7(7) . . ?
C12B C11B C16B 120.7(7) . . ?
C15B C11B C16B 123.7(7) . . ?
C11B C12B N11B 125.6(8) . . ?
N11B C13B C14B 120.8(7) . . ?
C15B C14B C13B 120.6(8) . . ?
C14B C15B C11B 119.3(7) . . ?
C17B C16B C11B 129.1(7) . . ?
C16B C17B C18B 124.8(7) . . ?
O18B C18B N1B 120.2(7) . . ?
O18B C18B C17B 123.4(7) . . ?
N1B C18B C17B 116.4(6) . . ?
C21B N21B C25B 118.6(7) . . ?
C21B N21B Ag1 119.8(6) . . ?
C25B N21B Ag1 121.3(5) . . ?
N21B C21B C22B 123.8(7) . . ?
C21B C22B C23B 115.7(7) . . ?
C21B C22B C26B 119.4(7) . . ?
C23B C22B C26B 124.9(6) . . ?
C24B C23B C22B 120.0(7) . . ?
C25B C24B C23B 120.5(8) . . ?
N21B C25B C24B 121.4(7) . . ?
C27B C26B C22B 129.5(7) . . ?
C26B C27B C28B 124.2(7) . . ?
O28B C28B N2B 121.4(7) . . ?
O28B C28B C27B 122.5(7) . . ?
N2B C28B C27B 116.2(6) . . ?
C18B N1B C1B 123.3(6) . . ?
N1B C1B C1B 111.8(7) . 2_9/6 ?
N2B C2B C2B 112.3(8) . 2_835 ?
C28B N2B C2B 123.3(6) . . ?
O101 N100 O102 115.5(18) . . ?
O101 N100 O103 137.8(16) . . ?
O102 N100 O103 106.7(14) . . ?
N100 O102 O101 31.5(11) . . ?
N100 O102 O103 39.7(9) . . ?
O101 O102 O103 71.2(9) . . ?
N100 O101 O102 33.0(8) . . ?
N100 O103 O102 33.7(7) . . ?
O204 N200 O203 167.0(19) . . ?
O204 N200 O201 93.9(13) . . ?
O203 N200 O201 99.2(13) . . ?
O204 N200 O202 89.2(13) . . ?
O203 N200 O202 77.8(13) . . ?
O201 N200 O202 175.4(12) . . ?
N200 O204 O202 51.0(10) . . ?
N200 O204 O201 48.0(9) . . ?
O202 O204 O201 99.0(10) . . ?
N200 O203 O202 56.3(9) . . ?
N200 O202 O203 45.9(9) . . ?
N200 O202 O204 39.8(8) . . ?
O203 O202 O204 85.7(14) . . ?
N200 O201 O204 38.1(7) . . ?

_diffrn_measured_fraction_theta_max 0.969
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.969
_refine_diff_density_max         1.662
_refine_diff_density_min         -0.766
_refine_diff_density_rms         0.104
_database_code_depnum_ccdc_archive 'CCDC 965794'

data_4'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H36 Ag2 N10 O10'
_chemical_formula_weight         984.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   9.458(8)
_cell_length_b                   10.001(8)
_cell_length_c                   11.102(9)
_cell_angle_alpha                75.79(2)
_cell_angle_beta                 65.02(2)
_cell_angle_gamma                89.24(3)
_cell_volume                     917.9(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3212
_cell_measurement_theta_min      2.10
_cell_measurement_theta_max      25.50

_exptl_crystal_description       'plate like'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             496
_exptl_absorpt_coefficient_mu    1.141
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker CCD APEX-2'
_diffrn_measurement_method       hemisphere
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10507
_diffrn_reflns_av_R_equivalents  0.2078
_diffrn_reflns_av_sigmaI/netI    0.1787
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.10
_diffrn_reflns_theta_max         25.50
_reflns_number_total             3212
_reflns_number_gt                1391
_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     SHELXL
_refine_ls_extinction_coef       0.031(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3212
_refine_ls_number_parameters     246
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2091
_refine_ls_R_factor_gt           0.0960
_refine_ls_wR_factor_ref         0.2377
_refine_ls_wR_factor_gt          0.2023
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_restrained_S_all      0.970
_refine_ls_shift/su_max          0.005
_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 0.0000 0.0000 0.0000 0.0930(8) Uani 1 2 d S . .
Ag2 Ag 0.0000 -1.5000 1.0000 0.0922(7) Uani 1 2 d S . .
N21A N 0.0523(13) -0.8304(7) 0.5097(13) 0.082(4) Uani 1 1 d . . .
H21A H 0.1437 -0.8166 0.5061 0.098 Uiso 1 1 calc R . .
O18B O 0.3116(12) -0.7736(8) 0.5690(10) 0.083(3) Uani 1 1 d . . .
O18A O -0.1372(11) -0.7312(7) 0.4608(10) 0.075(2) Uani 1 1 d . . .
C16B C 0.3945(13) -1.0499(10) 0.5954(10) 0.055(3) Uani 1 1 d . . .
H16B H 0.2915 -1.0191 0.6082 0.066 Uiso 1 1 calc R . .
N11A N 0.1112(16) -0.1419(12) 0.0906(11) 0.089(4) Uani 1 1 d . . .
C11A C 0.1015(15) -0.3463(11) 0.2691(10) 0.057(3) Uani 1 1 d . . .
C12A C 0.0404(16) -0.2568(11) 0.1922(11) 0.070(3) Uani 1 1 d . . .
H12A H -0.0642 -0.2792 0.2138 0.084 Uiso 1 1 calc R . .
C16A C -0.0064(14) -0.4550(9) 0.4007(10) 0.059(3) Uani 1 1 d . . .
H16A H -0.0988 -0.4841 0.3910 0.071 Uiso 1 1 calc R . .
C17A C 0.0609(13) -0.5845(8) 0.4574(11) 0.052(3) Uani 1 1 d . . .
H17A H 0.1753 -0.5791 0.4078 0.063 Uiso 1 1 calc R . .
C18A C -0.0167(13) -0.7184(8) 0.4726(13) 0.056(3) Uani 1 1 d . . .
C21A C -0.0220(15) -0.9790(11) 0.5574(11) 0.067(3) Uani 1 1 d . . .
H21B H 0.0152 -1.0366 0.6198 0.081 Uiso 1 1 calc . . .
H21C H -0.1353 -0.9830 0.6042 0.081 Uiso 1 1 calc . . .
C13A C 0.254(2) -0.1266(17) 0.0651(15) 0.117(6) Uani 1 1 d . . .
H13A H 0.3099 -0.0468 -0.0027 0.140 Uiso 1 1 calc R . .
C14A C 0.343(2) -0.213(2) 0.1240(15) 0.129(7) Uani 1 1 d . . .
H14A H 0.4512 -0.1979 0.0898 0.155 Uiso 1 1 calc R . .
C15A C 0.2481(19) -0.3243(14) 0.2413(13) 0.088(4) Uani 1 1 d . . .
H15A H 0.2909 -0.3790 0.2956 0.106 Uiso 1 1 calc R . .
N11B N 0.2237(15) -1.3768(11) 0.8768(10) 0.089(4) Uani 1 1 d . . .
C11B C 0.3790(14) -1.1729(11) 0.7141(12) 0.073(4) Uani 1 1 d . . .
C12B C 0.2418(14) -1.2601(12) 0.7858(11) 0.069(3) Uani 1 1 d . . .
H12B H 0.1563 -1.2338 0.7680 0.082 Uiso 1 1 calc R . .
C13B C 0.3538(18) -1.4243(15) 0.9017(14) 0.090(4) Uani 1 1 d . . .
H13B H 0.3473 -1.5108 0.9601 0.108 Uiso 1 1 calc R . .
C14B C 0.4858(18) -1.3381(14) 0.8369(15) 0.093(5) Uani 1 1 d . . .
H14B H 0.5708 -1.3635 0.8556 0.111 Uiso 1 1 calc R . .
C15B C 0.501(2) -1.2136(16) 0.7439(15) 0.114(6) Uani 1 1 d . . .
H15B H 0.5953 -1.1568 0.7011 0.136 Uiso 1 1 calc R . .
C17B C 0.5148(13) -0.9255(9) 0.5521(10) 0.051(3) Uani 1 1 d . . .
H17B H 0.5780 -0.9425 0.6041 0.061 Uiso 1 1 calc R . .
C18B C 0.4363(17) -0.7872(12) 0.5623(12) 0.059(3) Uani 1 1 d . . .
N21B N 0.5390(14) -0.6879(9) 0.5469(15) 0.099(4) Uani 1 1 d . . .
H21D H 0.6350 -0.7020 0.5281 0.119 Uiso 1 1 calc R . .
C21B C 0.4742(17) -0.532(2) 0.5656(14) 0.114(6) Uani 1 1 d . . .
H21E H 0.3609 -0.5385 0.6143 0.137 Uiso 1 1 calc . . .
H21F H 0.5217 -0.4898 0.6112 0.137 Uiso 1 1 calc . . .
N100 N 0.187(2) 0.2380(18) 0.081(2) 0.139(5) Uiso 1 1 d . . .
O101 O 0.2885(19) 0.1478(17) 0.1142(17) 0.175(6) Uiso 1 1 d . . .
O102 O 0.1412(16) 0.3165(14) 0.1597(14) 0.141(4) Uiso 1 1 d . . .
O103 O 0.1915(19) 0.2417(17) -0.020(2) 0.176(6) 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 N11A 2.071(12) . ?
Ag1 N11A 2.071(12) 2 ?
Ag2 N11B 2.159(10) 2_527 ?
Ag2 N11B 2.159(10) . ?
N21A C18A 1.353(14) . ?
N21A C21A 1.520(13) . ?
O18B C18B 1.159(12) . ?
O18A C18A 1.213(11) . ?
C16B C11B 1.522(14) . ?
C16B C17B 1.534(13) . ?
C16B C17B 1.575(15) 2_636 ?
N11A C13A 1.256(18) . ?
N11A C12A 1.337(14) . ?
C11A C15A 1.297(16) . ?
C11A C12A 1.375(15) . ?
C11A C16A 1.532(13) . ?
C16A C17A 1.549(12) . ?
C16A C17A 1.586(15) 2_546 ?
C17A C18A 1.473(12) . ?
C17A C16A 1.586(15) 2_546 ?
C21A C21A 1.34(2) 2_536 ?
C13A C14A 1.43(2) . ?
C14A C15A 1.440(17) . ?
N11B C12B 1.301(14) . ?
N11B C13B 1.423(17) . ?
C11B C15B 1.361(18) . ?
C11B C12B 1.377(15) . ?
C13B C14B 1.336(18) . ?
C14B C15B 1.373(17) . ?
C17B C18B 1.567(16) . ?
C17B C16B 1.575(15) 2_636 ?
C18B N21B 1.327(14) . ?
N21B C21B 1.69(2) . ?
C21B C21B 1.31(3) 2_646 ?
N100 O103 1.088(19) . ?
N100 O102 1.258(19) . ?
N100 O101 1.41(2) . ?

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
N11A Ag1 N11A 180.0(9) . 2 ?
N11B Ag2 N11B 180.000(2) 2_527 . ?
C18A N21A C21A 124.0(10) . . ?
C11B C16B C17B 119.3(9) . . ?
C11B C16B C17B 114.7(9) . 2_636 ?
C17B C16B C17B 89.2(7) . 2_636 ?
C13A N11A C12A 110.1(12) . . ?
C13A N11A Ag1 124.5(9) . . ?
C12A N11A Ag1 125.2(10) . . ?
C15A C11A C12A 119.0(11) . . ?
C15A C11A C16A 119.5(10) . . ?
C12A C11A C16A 120.6(11) . . ?
N11A C12A C11A 128.6(13) . . ?
C11A C16A C17A 119.7(10) . . ?
C11A C16A C17A 117.5(8) . 2_546 ?
C17A C16A C17A 89.7(7) . 2_546 ?
C18A C17A C16A 115.0(9) . . ?
C18A C17A C16A 112.8(9) . 2_546 ?
C16A C17A C16A 90.3(7) . 2_546 ?
O18A C18A N21A 121.2(8) . . ?
O18A C18A C17A 124.2(9) . . ?
N21A C18A C17A 114.5(9) . . ?
C21A C21A N21A 105.3(12) 2_536 . ?
N11A C13A C14A 130.1(13) . . ?
C13A C14A C15A 113.4(15) . . ?
C11A C15A C14A 118.0(13) . . ?
C12B N11B C13B 119.6(11) . . ?
C12B N11B Ag2 122.7(11) . . ?
C13B N11B Ag2 117.6(8) . . ?
C15B C11B C12B 116.3(11) . . ?
C15B C11B C16B 123.4(10) . . ?
C12B C11B C16B 119.8(12) . . ?
N11B C12B C11B 124.4(13) . . ?
C14B C13B N11B 116.5(12) . . ?
C13B C14B C15B 122.8(14) . . ?
C14B C15B C11B 120.2(13) . . ?
C18B C17B C16B 112.2(9) . . ?
C18B C17B C16B 117.8(8) . 2_636 ?
C16B C17B C16B 90.8(7) . 2_636 ?
O18B C18B N21B 126.2(13) . . ?
O18B C18B C17B 123.4(10) . . ?
N21B C18B C17B 110.0(11) . . ?
C18B N21B C21B 117.6(11) . . ?
C21B C21B N21B 97.9(18) 2_646 . ?
O103 N100 O102 134(2) . . ?
O103 N100 O101 113(2) . . ?
O102 N100 O101 110.4(18) . . ?

_diffrn_measured_fraction_theta_max 0.941
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.941
_refine_diff_density_max         0.804
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.128
_database_code_depnum_ccdc_archive 'CCDC 965795'

data_5

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H22 Ag N5 O5'
_chemical_formula_weight         520.30

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                   20.667(3)
_cell_length_b                   9.4788(15)
_cell_length_c                   13.454(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 126.546(4)
_cell_angle_gamma                90.00
_cell_volume                     2117.4(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       'Plate like'
_exptl_crystal_colour            'light yello'
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1056
_exptl_absorpt_coefficient_mu    0.994
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.888
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13161
_diffrn_reflns_av_R_equivalents  0.1681
_diffrn_reflns_av_sigmaI/netI    0.1961
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.45
_diffrn_reflns_theta_max         26.31
_reflns_number_total             2136
_reflns_number_gt                467
_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)+(0.0100P)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         2136
_refine_ls_number_parameters     133
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.2897
_refine_ls_R_factor_gt           0.0600
_refine_ls_wR_factor_ref         0.1071
_refine_ls_wR_factor_gt          0.0858
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.059
_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 0.0000 0.5000 -0.5000 0.1441(6) Uani 1 2 d SU . .
O11 O 0.2066(3) 0.4484(6) 0.2031(5) 0.123(2) Uani 1 1 d U . .
N11 N 0.0486(4) 0.3315(9) -0.3660(8) 0.111(2) Uani 1 1 d U . .
N31 N 0.2642(4) 0.2429(8) 0.3073(9) 0.113(3) Uani 1 1 d U . .
H31 H 0.2684 0.1539 0.2998 0.136 Uiso 1 1 calc R . .
C11 C 0.1156(5) 0.2760(11) -0.1500(11) 0.106(3) Uani 1 1 d U . .
C12 C 0.0829(5) 0.3708(10) -0.2487(10) 0.107(3) Uani 1 1 d U . .
H12 H 0.0851 0.4666 -0.2320 0.128 Uiso 1 1 calc R . .
C13 C 0.0443(6) 0.2010(12) -0.3913(10) 0.119(3) Uani 1 1 d U . .
H13 H 0.0207 0.1758 -0.4730 0.143 Uiso 1 1 calc R . .
C14 C 0.0718(6) 0.0971(12) -0.3068(11) 0.146(4) Uani 1 1 d U . .
H14 H 0.0669 0.0032 -0.3304 0.175 Uiso 1 1 calc R . .
C15 C 0.1082(5) 0.1326(11) -0.1819(10) 0.129(3) Uani 1 1 d U . .
H15 H 0.1269 0.0627 -0.1221 0.155 Uiso 1 1 calc R . .
C16 C 0.1488(5) 0.3277(10) -0.0266(9) 0.097(3) Uani 1 1 d U . .
H16 H 0.1422 0.4236 -0.0204 0.117 Uiso 1 1 calc R . .
C17 C 0.1865(6) 0.2568(10) 0.0763(10) 0.097(3) Uani 1 1 d U . .
H17 H 0.1922 0.1602 0.0716 0.116 Uiso 1 1 calc R . .
C18 C 0.2220(6) 0.3178(12) 0.2033(11) 0.091(3) Uani 1 1 d U . .
C31 C 0.3034(7) 0.2952(11) 0.4303(10) 0.145(4) Uani 1 1 d U . .
C32A C 0.2318(19) 0.222(4) 0.4322(19) 0.105(7) Uani 0.50 1 d PU . .
C32B C 0.2614(17) 0.314(3) 0.498(4) 0.105(8) Uani 0.50 1 d PU . .


_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 N11 2.157(8) . ?
Ag1 N11 2.157(8) 5_564 ?
O11 C18 1.278(10) . ?
N11 C13 1.271(10) . ?
N11 C12 1.342(9) . ?
N31 C18 1.330(9) . ?
N31 C31 1.429(10) . ?
N31 H31 0.8600 . ?
C11 C12 1.400(11) . ?
C11 C15 1.406(11) . ?
C11 C16 1.454(11) . ?
C12 H12 0.9300 . ?
C13 C14 1.348(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.413(10) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.300(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.517(11) . ?
C17 H17 0.9300 . ?
C31 C32B 1.60(3) . ?
C31 C32A 1.65(4) . ?
C32A C32B 0.93(2) 7_556 ?
C32A C32B 1.130(17) . ?
C32A C32A 1.60(4) 7_556 ?
C32B C32A 0.93(2) 7_556 ?
C32B C32B 1.32(4) 7_556 ?

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
N11 Ag1 N11 180.0(5) . 5_564 ?
C13 N11 C12 119.3(10) . . ?
C13 N11 Ag1 125.0(9) . . ?
C12 N11 Ag1 115.7(7) . . ?
C18 N31 C31 126.7(10) . . ?
C18 N31 H31 116.7 . . ?
C31 N31 H31 116.7 . . ?
C12 C11 C15 115.4(11) . . ?
C12 C11 C16 120.0(10) . . ?
C15 C11 C16 124.5(11) . . ?
N11 C12 C11 123.7(10) . . ?
N11 C12 H12 118.1 . . ?
C11 C12 H12 118.1 . . ?
N11 C13 C14 123.9(12) . . ?
N11 C13 H13 118.0 . . ?
C14 C13 H13 118.0 . . ?
C13 C14 C15 119.1(12) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C11 C15 C14 118.5(12) . . ?
C11 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
C17 C16 C11 128.2(11) . . ?
C17 C16 H16 115.9 . . ?
C11 C16 H16 115.9 . . ?
C16 C17 C18 125.7(11) . . ?
C16 C17 H17 117.1 . . ?
C18 C17 H17 117.1 . . ?
O11 C18 N31 121.8(10) . . ?
O11 C18 C17 114.4(11) . . ?
N31 C18 C17 123.8(11) . . ?
N31 C31 C32B 124.9(15) . . ?
N31 C31 C32A 88.6(10) . . ?
C32B C31 C32A 40.7(7) . . ?
C32B C32A C32B 79(3) 7_556 . ?
C32B C32A C32A 44(2) 7_556 7_556 ?
C32B C32A C32A 34.9(13) . 7_556 ?
C32B C32A C31 125(4) 7_556 . ?
C32B C32A C31 67(3) . . ?
C32A C32A C31 93(3) 7_556 . ?
C32A C32B C32A 101(3) 7_556 . ?
C32A C32B C32B 57.3(19) 7_556 7_556 ?
C32A C32B C32B 43.9(17) . 7_556 ?
C32A C32B C31 137(3) 7_556 . ?
C32A C32B C31 72(3) . . ?
C32B C32B C31 105(3) 7_556 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N11 Ag1 N11 C13 -96(100) 5_564 . . . ?
N11 Ag1 N11 C12 86(100) 5_564 . . . ?
C13 N11 C12 C11 0.6(14) . . . . ?
Ag1 N11 C12 C11 178.2(7) . . . . ?
C15 C11 C12 N11 -1.9(14) . . . . ?
C16 C11 C12 N11 -177.6(8) . . . . ?
C12 N11 C13 C14 0.5(15) . . . . ?
Ag1 N11 C13 C14 -176.8(8) . . . . ?
N11 C13 C14 C15 -0.3(18) . . . . ?
C12 C11 C15 C14 2.0(13) . . . . ?
C16 C11 C15 C14 177.5(9) . . . . ?
C13 C14 C15 C11 -1.0(16) . . . . ?
C12 C11 C16 C17 -174.5(10) . . . . ?
C15 C11 C16 C17 10.2(15) . . . . ?
C11 C16 C17 C18 178.2(7) . . . . ?
C31 N31 C18 O11 -5.7(13) . . . . ?
C31 N31 C18 C17 175.8(9) . . . . ?
C16 C17 C18 O11 5.5(13) . . . . ?
C16 C17 C18 N31 -175.9(10) . . . . ?
C18 N31 C31 C32B 86.4(14) . . . . ?
C18 N31 C31 C32A 106.1(12) . . . . ?
N31 C31 C32A C32B 149(5) . . . 7_556 ?
C32B C31 C32A C32B -56(4) . . . 7_556 ?
N31 C31 C32A C32B -155(2) . . . . ?
N31 C31 C32A C32A -178(2) . . . 7_556 ?
C32B C31 C32A C32A -23.4(15) . . . 7_556 ?
C32B C32A C32B C32A 0.000(7) 7_556 . . 7_556 ?
C31 C32A C32B C32A -136(3) . . . 7_556 ?
C32A C32A C32B C32B 0.000(6) 7_556 . . 7_556 ?
C31 C32A C32B C32B -136(3) . . . 7_556 ?
C32B C32A C32B C31 136(3) 7_556 . . . ?
C32A C32A C32B C31 136(3) 7_556 . . . ?
N31 C31 C32B C32A 118(8) . . . 7_556 ?
C32A C31 C32B C32A 87(7) . . . 7_556 ?
N31 C31 C32B C32A 31(2) . . . . ?
N31 C31 C32B C32B 61(4) . . . 7_556 ?
C32A C31 C32B C32B 30(2) . . . 7_556 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        26.31
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.330
_refine_diff_density_min         -0.487
_refine_diff_density_rms         0.093

_database_code_depnum_ccdc_archive 'CCDC 965796'
