# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_s
_database_code_depnum_ccdc_archive 'CCDC 1477429'
_audit_update_record             
;
2016-05-01 deposited with the CCDC.
2016-09-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H13 Ag N O4'
_chemical_formula_weight         427.17

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   'C 2/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                   29.457(9)
_cell_length_b                   14.831(5)
_cell_length_c                   7.499(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.616(5)
_cell_angle_gamma                90.00
_cell_volume                     3230.1(17)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1704.0
_cell_measurement_theta_min      1.40
_cell_measurement_theta_max      26.88

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1600
_exptl_absorpt_coefficient_mu    1.270
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7018
_exptl_absorpt_correction_T_max  0.7503
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            11579
_diffrn_reflns_av_R_equivalents  0.1241
_diffrn_reflns_av_sigmaI/netI    0.0767
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.40
_diffrn_reflns_theta_max         26.88
_reflns_number_total             3188
_reflns_number_gt                2204
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL

_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         3188
_refine_ls_number_parameters     229
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0566
_refine_ls_wR_factor_ref         0.1660
_refine_ls_wR_factor_gt          0.1428
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      0.999
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.0000 0.02857(4) 0.2500 0.0588(3) Uani 1 2 d S . .
Ag2 Ag 0.0000 0.22805(4) 0.2500 0.0498(3) Uani 1 2 d S . .
O1 O 0.06624(14) 0.0480(3) 0.1718(6) 0.0559(11) Uani 1 1 d . . .
O2 O 0.07064(12) 0.1984(2) 0.1951(5) 0.0439(9) Uani 1 1 d . . .
O3 O 0.11660(14) 0.3294(3) 0.0638(5) 0.0484(10) Uani 1 1 d . . .
H3 H 0.1033 0.2906 0.1135 0.073 Uiso 1 1 calc R . .
O4 O 0.17598(17) 0.4199(3) 0.1360(6) 0.0643(12) Uani 1 1 d . . .
N1 N 0.0000 -0.1330(4) 0.2500 0.0445(16) Uani 1 2 d S . .
N2 N 0.0000 -0.6107(4) 0.2500 0.0362(14) Uani 1 2 d S . .
C1 C -0.03509(19) -0.1793(4) 0.2930(8) 0.0466(14) Uani 1 1 d . . .
H1B H -0.0598 -0.1475 0.3246 0.056 Uiso 1 1 calc R . .
C2 C -0.03690(19) -0.2724(3) 0.2932(7) 0.0425(13) Uani 1 1 d . . .
H2C H -0.0625 -0.3020 0.3220 0.051 Uiso 1 1 calc R . .
C3 C 0.0000 -0.3213(4) 0.2500 0.0353(16) Uani 1 2 d S . .
C4 C 0.0000 -0.4217(4) 0.2500 0.0355(16) Uani 1 2 d S . .
C5 C -0.03947(19) -0.4703(3) 0.1857(7) 0.0391(12) Uani 1 1 d . . .
H5A H -0.0669 -0.4405 0.1429 0.047 Uiso 1 1 calc R . .
C6 C -0.03778(19) -0.5636(3) 0.1854(7) 0.0420(13) Uani 1 1 d . . .
H6A H -0.0644 -0.5951 0.1378 0.050 Uiso 1 1 calc R . .
C7 C 0.0876(2) 0.1210(3) 0.1736(7) 0.0392(12) Uani 1 1 d . . .
C8 C 0.13633(18) 0.1163(3) 0.1422(7) 0.0333(11) Uani 1 1 d . . .
C9 C 0.14714(19) 0.0576(3) 0.0103(7) 0.0382(12) Uani 1 1 d . . .
H9A H 0.1242 0.0217 -0.0544 0.046 Uiso 1 1 calc R . .
C10 C 0.1913(2) 0.0522(3) -0.0251(7) 0.0444(13) Uani 1 1 d . . .
H10A H 0.1980 0.0141 -0.1158 0.053 Uiso 1 1 calc R . .
C11 C 0.2256(2) 0.1026(4) 0.0727(8) 0.0468(14) Uani 1 1 d . . .
H11A H 0.2555 0.0988 0.0483 0.056 Uiso 1 1 calc R . .
C12 C 0.21575(19) 0.1599(4) 0.2091(7) 0.0404(12) Uani 1 1 d . . .
H12A H 0.2394 0.1929 0.2772 0.049 Uiso 1 1 calc R . .
C13 C 0.17127(17) 0.1680(3) 0.2441(6) 0.0325(11) Uani 1 1 d . . .
C14 C 0.16367(16) 0.2291(3) 0.3943(6) 0.0325(11) Uani 1 1 d . . .
C15 C 0.16633(19) 0.1979(3) 0.5697(7) 0.0406(12) Uani 1 1 d . . .
H15A H 0.1701 0.1365 0.5925 0.049 Uiso 1 1 calc R . .
C16 C 0.16349(19) 0.2552(4) 0.7103(7) 0.0451(13) Uani 1 1 d . . .
H16A H 0.1642 0.2322 0.8261 0.054 Uiso 1 1 calc R . .
C17 C 0.15966(19) 0.3466(4) 0.6816(7) 0.0425(13) Uani 1 1 d . . .
H17A H 0.1583 0.3856 0.7778 0.051 Uiso 1 1 calc R . .
C18 C 0.1578(2) 0.3801(3) 0.5092(7) 0.0411(13) Uani 1 1 d . . .
H18A H 0.1558 0.4420 0.4892 0.049 Uiso 1 1 calc R . .
C19 C 0.15889(18) 0.3217(3) 0.3652(6) 0.0359(12) Uani 1 1 d . . .
C20 C 0.1521(2) 0.3614(3) 0.1805(7) 0.0420(13) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O1 2.148(4) . ?
Ag1 O1 2.149(4) 2 ?
Ag1 N1 2.397(6) . ?
Ag1 Ag2 2.9584(13) . ?
Ag2 O2 2.231(3) . ?
Ag2 O2 2.231(3) 2 ?
Ag2 N2 2.392(6) 1_565 ?
O1 C7 1.251(6) . ?
O2 C7 1.273(6) . ?
O3 C20 1.334(7) . ?
O3 H3 0.8200 . ?
O4 C20 1.198(6) . ?
N1 C1 1.324(6) 2 ?
N1 C1 1.324(6) . ?
N2 C6 1.334(6) 2 ?
N2 C6 1.334(6) . ?
N2 Ag2 2.392(6) 1_545 ?
C1 C2 1.381(7) . ?
C1 H1B 0.9300 . ?
C2 C3 1.389(6) . ?
C2 H2C 0.9300 . ?
C3 C2 1.389(6) 2 ?
C3 C4 1.489(10) . ?
C4 C5 1.384(6) 2 ?
C4 C5 1.384(6) . ?
C5 C6 1.385(6) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C8 1.495(8) . ?
C8 C9 1.395(7) . ?
C8 C13 1.403(7) . ?
C9 C10 1.374(8) . ?
C9 H9A 0.9300 . ?
C10 C11 1.367(8) . ?
C10 H10A 0.9300 . ?
C11 C12 1.397(7) . ?
C11 H11A 0.9300 . ?
C12 C13 1.384(7) . ?
C12 H12A 0.9300 . ?
C13 C14 1.491(6) . ?
C14 C15 1.384(7) . ?
C14 C19 1.394(6) . ?
C15 C16 1.369(7) . ?
C15 H15A 0.9300 . ?
C16 C17 1.374(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.377(8) . ?
C17 H17A 0.9300 . ?
C18 C19 1.389(7) . ?
C18 H18A 0.9300 . ?
C19 C20 1.487(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ag1 O1 164.6(2) . 2 ?
O1 Ag1 N1 97.71(10) . . ?
O1 Ag1 N1 97.71(10) 2 . ?
O1 Ag1 Ag2 82.29(10) . . ?
O1 Ag1 Ag2 82.29(10) 2 . ?
N1 Ag1 Ag2 180.0 . . ?
O2 Ag2 O2 157.30(19) . 2 ?
O2 Ag2 N2 101.35(9) . 1_565 ?
O2 Ag2 N2 101.35(9) 2 1_565 ?
O2 Ag2 Ag1 78.65(9) . . ?
O2 Ag2 Ag1 78.65(9) 2 . ?
N2 Ag2 Ag1 180.0 1_565 . ?
C7 O1 Ag1 126.2(4) . . ?
C7 O2 Ag2 126.8(3) . . ?
C20 O3 H3 109.5 . . ?
C1 N1 C1 117.6(6) 2 . ?
C1 N1 Ag1 121.2(3) 2 . ?
C1 N1 Ag1 121.2(3) . . ?
C6 N2 C6 116.9(6) 2 . ?
C6 N2 Ag2 121.5(3) 2 1_545 ?
C6 N2 Ag2 121.5(3) . 1_545 ?
N1 C1 C2 123.4(5) . . ?
N1 C1 H1B 118.3 . . ?
C2 C1 H1B 118.3 . . ?
C1 C2 C3 119.3(5) . . ?
C1 C2 H2C 120.4 . . ?
C3 C2 H2C 120.4 . . ?
C2 C3 C2 117.1(6) 2 . ?
C2 C3 C4 121.5(3) 2 . ?
C2 C3 C4 121.5(3) . . ?
C5 C4 C5 117.2(6) 2 . ?
C5 C4 C3 121.4(3) 2 . ?
C5 C4 C3 121.4(3) . . ?
C4 C5 C6 119.5(5) . . ?
C4 C5 H5A 120.2 . . ?
C6 C5 H5A 120.2 . . ?
N2 C6 C5 123.4(5) . . ?
N2 C6 H6A 118.3 . . ?
C5 C6 H6A 118.3 . . ?
O1 C7 O2 125.1(5) . . ?
O1 C7 C8 116.9(4) . . ?
O2 C7 C8 118.0(4) . . ?
C9 C8 C13 119.6(5) . . ?
C9 C8 C7 118.7(5) . . ?
C13 C8 C7 121.7(4) . . ?
C10 C9 C8 120.6(5) . . ?
C10 C9 H9A 119.7 . . ?
C8 C9 H9A 119.7 . . ?
C11 C10 C9 120.2(5) . . ?
C11 C10 H10A 119.9 . . ?
C9 C10 H10A 119.9 . . ?
C10 C11 C12 120.1(5) . . ?
C10 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C13 C12 C11 120.7(5) . . ?
C13 C12 H12A 119.6 . . ?
C11 C12 H12A 119.6 . . ?
C12 C13 C8 118.7(4) . . ?
C12 C13 C14 117.6(4) . . ?
C8 C13 C14 123.7(4) . . ?
C15 C14 C19 117.8(4) . . ?
C15 C14 C13 121.5(4) . . ?
C19 C14 C13 120.3(4) . . ?
C16 C15 C14 121.5(5) . . ?
C16 C15 H15A 119.2 . . ?
C14 C15 H15A 119.2 . . ?
C15 C16 C17 120.4(5) . . ?
C15 C16 H16A 119.8 . . ?
C17 C16 H16A 119.8 . . ?
C16 C17 C18 119.5(5) . . ?
C16 C17 H17A 120.3 . . ?
C18 C17 H17A 120.3 . . ?
C17 C18 C19 120.2(5) . . ?
C17 C18 H18A 119.9 . . ?
C19 C18 H18A 119.9 . . ?
C18 C19 C14 120.5(5) . . ?
C18 C19 C20 117.4(4) . . ?
C14 C19 C20 122.0(4) . . ?
O4 C20 O3 120.4(5) . . ?
O4 C20 C19 123.6(6) . . ?
O3 C20 C19 116.0(4) . . ?

_diffrn_measured_fraction_theta_max 0.915
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.775
_refine_diff_density_min         -1.258
_refine_diff_density_rms         0.163
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_s
_database_code_depnum_ccdc_archive 'CCDC 1477430'
_audit_update_record             
;
2016-05-01 deposited with the CCDC.
2016-09-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H28 Cu N4 O8'
_chemical_formula_weight         756.21

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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

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

_cell_length_a                   8.0398(16)
_cell_length_b                   9.1650(18)
_cell_length_c                   12.290(3)
_cell_angle_alpha                111.73(3)
_cell_angle_beta                 94.75(3)
_cell_angle_gamma                97.18(3)
_cell_volume                     826.4(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3817
_cell_measurement_theta_min      3.23
_cell_measurement_theta_max      27.56

_exptl_crystal_description       blue
_exptl_crystal_colour            block
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             389
_exptl_absorpt_coefficient_mu    0.726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8005
_exptl_absorpt_correction_T_max  0.9382
_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 Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            16487
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0417
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.23
_diffrn_reflns_theta_max         27.56
_reflns_number_total             3745
_reflns_number_gt                3220
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL

_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)+(0.0591P)²+6.7484P] 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         3745
_refine_ls_number_parameters     241
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0773
_refine_ls_wR_factor_ref         0.2142
_refine_ls_wR_factor_gt          0.2085
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_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
Cu1 Cu 1.0000 1.0000 0.0000 0.0203(2) Uani 1 2 d S . .
O1 O 0.8491(5) 1.0318(5) 0.1232(3) 0.0303(8) Uani 1 1 d . . .
O2 O 0.9143(5) 0.7972(5) 0.1036(4) 0.0354(9) Uani 1 1 d . . .
O3 O 1.0337(5) 0.6529(6) 0.2272(4) 0.0427(10) Uani 1 1 d . . .
H3 H 0.9858 0.6968 0.1894 0.064 Uiso 1 1 calc R . .
O4 O 0.9646(6) 0.4715(6) 0.3003(5) 0.0482(12) Uani 1 1 d . . .
N1 N 0.6378(5) 0.7609(5) -0.2913(4) 0.0256(9) Uani 1 1 d . . .
N2 N 0.8060(5) 0.9156(5) -0.1278(4) 0.0258(9) Uani 1 1 d . . .
C1 C 0.7279(7) 0.8331(6) 0.3134(5) 0.0266(11) Uani 1 1 d . . .
C2 C 0.8152(6) 0.9510(6) 0.2821(5) 0.0257(10) Uani 1 1 d . . .
C3 C 0.8655(7) 1.1043(7) 0.3664(5) 0.0329(12) Uani 1 1 d . . .
H3A H 0.9199 1.1829 0.3446 0.040 Uiso 1 1 calc R . .
C4 C 0.8362(9) 1.1424(7) 0.4820(5) 0.0420(15) Uani 1 1 d . . .
H4A H 0.8723 1.2454 0.5378 0.050 Uiso 1 1 calc R . .
C5 C 0.7538(10) 1.0281(8) 0.5140(6) 0.0459(16) Uani 1 1 d . . .
H5A H 0.7362 1.0530 0.5923 0.055 Uiso 1 1 calc R . .
C6 C 0.6964(9) 0.8758(8) 0.4309(6) 0.0402(14) Uani 1 1 d . . .
H6A H 0.6361 0.8004 0.4532 0.048 Uiso 1 1 calc R . .
C7 C 0.6538(7) 0.6675(7) 0.2290(5) 0.0293(11) Uani 1 1 d . . .
C8 C 0.7391(7) 0.5379(6) 0.2003(5) 0.0290(11) Uani 1 1 d . . .
C9 C 0.6547(8) 0.3853(7) 0.1314(5) 0.0366(13) Uani 1 1 d . . .
H9A H 0.7124 0.2994 0.1153 0.044 Uiso 1 1 calc R . .
C10 C 0.4839(9) 0.3597(8) 0.0862(6) 0.0451(16) Uani 1 1 d . . .
H10A H 0.4289 0.2583 0.0364 0.054 Uiso 1 1 calc R . .
C11 C 0.3985(8) 0.4860(8) 0.1163(6) 0.0417(15) Uani 1 1 d . . .
H11A H 0.2837 0.4691 0.0886 0.050 Uiso 1 1 calc R . .
C12 C 0.4799(7) 0.6382(8) 0.1870(6) 0.0368(13) Uani 1 1 d . . .
H12A H 0.4191 0.7221 0.2070 0.044 Uiso 1 1 calc R . .
C13 C 0.8604(7) 0.9209(6) 0.1613(5) 0.0279(11) Uani 1 1 d . . .
C14 C 0.9218(7) 0.5525(7) 0.2470(5) 0.0324(12) Uani 1 1 d . . .
C15 C 0.5700(7) 0.6273(6) -0.3967(4) 0.0241(10) Uani 1 1 d . . .
C16 C 0.6749(7) 0.5445(6) -0.4714(5) 0.0294(11) Uani 1 1 d . . .
H16A H 0.7917 0.5741 -0.4520 0.035 Uiso 1 1 calc R . .
C17 C 0.3937(7) 0.5824(6) -0.4248(5) 0.0280(11) Uani 1 1 d . . .
H17A H 0.3233 0.6378 -0.3739 0.034 Uiso 1 1 calc R . .
C18 C 0.7831(6) 0.7783(6) -0.2205(4) 0.0250(11) Uani 1 1 d . . .
H18A H 0.8564 0.7045 -0.2347 0.030 Uiso 1 1 calc R . .
C19 C 0.6691(8) 0.9859(7) -0.1390(6) 0.0395(14) Uani 1 1 d . . .
H19A H 0.6507 1.0834 -0.0857 0.047 Uiso 1 1 calc R . .
C20 C 0.5648(8) 0.8928(7) -0.2386(6) 0.0399(15) Uani 1 1 d . . .
H20A H 0.4630 0.9137 -0.2664 0.048 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N2 1.973(4) . ?
Cu1 N2 1.973(4) 2_775 ?
Cu1 O1 1.978(4) 2_775 ?
Cu1 O1 1.978(4) . ?
Cu1 C13 2.635(5) 2_775 ?
Cu1 C13 2.635(5) . ?
Cu1 O2 2.671(4) . ?
Cu1 O2 2.671(4) 2_775 ?
O1 C13 1.276(7) . ?
O2 C13 1.247(7) . ?
O3 C14 1.308(7) . ?
O3 H3 0.8200 . ?
O4 C14 1.218(7) . ?
N1 C18 1.353(6) . ?
N1 C20 1.373(7) . ?
N1 C15 1.420(6) . ?
N2 C18 1.327(6) . ?
N2 C19 1.366(7) . ?
C1 C2 1.404(7) . ?
C1 C6 1.403(8) . ?
C1 C7 1.497(8) . ?
C2 C3 1.386(8) . ?
C2 C13 1.492(7) . ?
C3 C4 1.380(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.366(10) . ?
C4 H4A 0.9300 . ?
C5 C6 1.383(9) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C8 1.393(8) . ?
C7 C12 1.406(8) . ?
C8 C9 1.387(8) . ?
C8 C14 1.503(8) . ?
C9 C10 1.395(9) . ?
C9 H9A 0.9300 . ?
C10 C11 1.368(10) . ?
C10 H10A 0.9300 . ?
C11 C12 1.382(9) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C15 C16 1.379(8) . ?
C15 C17 1.402(7) . ?
C16 C17 1.381(7) 2_664 ?
C16 H16A 0.9300 . ?
C17 C16 1.381(7) 2_664 ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.344(8) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Cu1 N2 179.998(1) . 2_775 ?
N2 Cu1 O1 88.07(17) . 2_775 ?
N2 Cu1 O1 91.93(17) 2_775 2_775 ?
N2 Cu1 O1 91.93(17) . . ?
N2 Cu1 O1 88.07(17) 2_775 . ?
O1 Cu1 O1 179.999(2) 2_775 . ?
N2 Cu1 C13 81.18(17) . 2_775 ?
N2 Cu1 C13 98.82(17) 2_775 2_775 ?
O1 Cu1 C13 27.73(17) 2_775 2_775 ?
O1 Cu1 C13 152.27(17) . 2_775 ?
N2 Cu1 C13 98.82(17) . . ?
N2 Cu1 C13 81.18(17) 2_775 . ?
O1 Cu1 C13 152.27(17) 2_775 . ?
O1 Cu1 C13 27.73(17) . . ?
C13 Cu1 C13 180.0(2) 2_775 . ?
N2 Cu1 O2 96.09(16) . . ?
N2 Cu1 O2 83.91(16) 2_775 . ?
O1 Cu1 O2 125.72(14) 2_775 . ?
O1 Cu1 O2 54.28(14) . . ?
C13 Cu1 O2 152.83(15) 2_775 . ?
C13 Cu1 O2 27.17(15) . . ?
N2 Cu1 O2 83.91(16) . 2_775 ?
N2 Cu1 O2 96.09(16) 2_775 2_775 ?
O1 Cu1 O2 54.28(14) 2_775 2_775 ?
O1 Cu1 O2 125.72(14) . 2_775 ?
C13 Cu1 O2 27.18(15) 2_775 2_775 ?
C13 Cu1 O2 152.82(15) . 2_775 ?
O2 Cu1 O2 180.00(18) . 2_775 ?
C13 O1 Cu1 106.1(3) . . ?
C13 O2 Cu1 74.8(3) . . ?
C14 O3 H3 109.5 . . ?
C18 N1 C20 107.0(4) . . ?
C18 N1 C15 126.2(4) . . ?
C20 N1 C15 126.8(4) . . ?
C18 N2 C19 106.3(4) . . ?
C18 N2 Cu1 126.5(4) . . ?
C19 N2 Cu1 127.2(4) . . ?
C2 C1 C6 118.0(5) . . ?
C2 C1 C7 125.0(5) . . ?
C6 C1 C7 116.8(5) . . ?
C3 C2 C1 119.7(5) . . ?
C3 C2 C13 116.7(5) . . ?
C1 C2 C13 123.5(5) . . ?
C4 C3 C2 121.2(6) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
C5 C4 C3 119.7(6) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
C4 C5 C6 120.4(6) . . ?
C4 C5 H5A 119.8 . . ?
C6 C5 H5A 119.8 . . ?
C5 C6 C1 120.9(6) . . ?
C5 C6 H6A 119.5 . . ?
C1 C6 H6A 119.5 . . ?
C8 C7 C12 117.9(5) . . ?
C8 C7 C1 124.8(5) . . ?
C12 C7 C1 116.9(5) . . ?
C9 C8 C7 120.7(5) . . ?
C9 C8 C14 116.4(5) . . ?
C7 C8 C14 122.8(5) . . ?
C8 C9 C10 120.5(6) . . ?
C8 C9 H9A 119.8 . . ?
C10 C9 H9A 119.8 . . ?
C11 C10 C9 119.0(6) . . ?
C11 C10 H10A 120.5 . . ?
C9 C10 H10A 120.5 . . ?
C10 C11 C12 121.1(6) . . ?
C10 C11 H11A 119.4 . . ?
C12 C11 H11A 119.4 . . ?
C11 C12 C7 120.7(6) . . ?
C11 C12 H12A 119.7 . . ?
C7 C12 H12A 119.7 . . ?
O2 C13 O1 122.2(5) . . ?
O2 C13 C2 121.3(5) . . ?
O1 C13 C2 116.4(5) . . ?
O2 C13 Cu1 78.0(3) . . ?
O1 C13 Cu1 46.2(3) . . ?
C2 C13 Cu1 154.7(4) . . ?
O4 C14 O3 121.0(5) . . ?
O4 C14 C8 121.0(6) . . ?
O3 C14 C8 118.0(5) . . ?
C16 C15 C17 120.3(4) . . ?
C16 C15 N1 120.9(5) . . ?
C17 C15 N1 118.8(5) . . ?
C15 C16 C17 120.0(5) . 2_664 ?
C15 C16 H16A 120.0 . . ?
C17 C16 H16A 120.0 2_664 . ?
C16 C17 C15 119.7(5) 2_664 . ?
C16 C17 H17A 120.2 2_664 . ?
C15 C17 H17A 120.2 . . ?
N2 C18 N1 110.3(5) . . ?
N2 C18 H18A 124.8 . . ?
N1 C18 H18A 124.8 . . ?
C20 C19 N2 109.7(5) . . ?
C20 C19 H19A 125.2 . . ?
N2 C19 H19A 125.2 . . ?
C19 C20 N1 106.7(5) . . ?
C19 C20 H20A 126.6 . . ?
N1 C20 H20A 126.6 . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         2.688
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.129
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1477431'
_audit_update_record             
;
2016-08-30 deposited with the CCDC.
2016-09-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H17 Ag N2 O4'
_chemical_formula_sum            'C24 H17 Ag N2 O4'
_chemical_formula_weight         505.27

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  '
_symmetry_space_group_name_Hall  '-C 2yc  '

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                   21.460(6)
_cell_length_b                   11.416(3)
_cell_length_c                   17.625(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.291(9)
_cell_angle_gamma                90.00
_cell_volume                     3904.0(19)
_cell_formula_units_Z            8
_cell_measurement_temperature    302(2)
_cell_measurement_reflns_used    1793
_cell_measurement_theta_min      3.36
_cell_measurement_theta_max      25.18

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2032
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8476
_exptl_absorpt_correction_T_max  0.8825
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      302(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'TRIUMPH curved crystal monochromator'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10303
_diffrn_reflns_av_R_equivalents  0.1074
_diffrn_reflns_av_sigmaI/netI    0.1112
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.36
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3392
_reflns_number_gt                1749
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.0517P)²+0.7791P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3392
_refine_ls_number_parameters     291
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1526
_refine_ls_R_factor_gt           0.0651
_refine_ls_wR_factor_ref         0.1265
_refine_ls_wR_factor_gt          0.1079
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_restrained_S_all      0.957
_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
Ag1A Ag 1.0647(3) 0.5704(2) 0.2058(3) 0.0220(9) Uiso 0.258(4) 1 d PU . 1
Ag1B Ag 1.0686(4) 0.5708(3) 0.2499(6) 0.0247(12) Uiso 0.214(10) 1 d PU . 2
Ag1C Ag 1.0514(3) 0.57115(19) 0.2209(3) 0.0074(9) Uiso 0.282(8) 1 d PU . 3
Ag1D Ag 1.0812(3) 0.5701(2) 0.2343(4) 0.0073(11) Uiso 0.246(9) 1 d PU . 4
C1 C 0.8679(3) 0.5384(5) -0.0482(4) 0.0282(17) Uani 1 1 d . . .
C2 C 0.8219(3) 0.6236(5) -0.0996(4) 0.0281(17) Uani 1 1 d . . .
C3 C 0.7741(4) 0.5893(6) -0.1778(5) 0.0408(19) Uani 1 1 d . . .
H3A H 0.7440 0.6450 -0.2130 0.049 Uiso 1 1 calc R . .
C4 C 0.7692(4) 0.4754(7) -0.2060(5) 0.047(2) Uani 1 1 d . . .
H4A H 0.7370 0.4554 -0.2596 0.056 Uiso 1 1 calc R . .
C5 C 0.8125(4) 0.3916(6) -0.1536(5) 0.047(2) Uani 1 1 d . . .
H5A H 0.8087 0.3138 -0.1707 0.056 Uiso 1 1 calc R . .
C6 C 0.8615(4) 0.4240(6) -0.0758(5) 0.0427(19) Uani 1 1 d . . .
H6A H 0.8910 0.3674 -0.0409 0.051 Uiso 1 1 calc R . .
C7 C 0.8181(4) 0.9841(5) -0.0314(4) 0.0308(17) Uani 1 1 d . . .
C8 C 0.8798(4) 0.9301(6) -0.0170(4) 0.0345(17) Uani 1 1 d . . .
H8A H 0.9205 0.9729 0.0071 0.041 Uiso 1 1 calc R . .
C9 C 0.8825(4) 0.8131(5) -0.0377(4) 0.0333(18) Uani 1 1 d . . .
H9A H 0.9247 0.7789 -0.0276 0.040 Uiso 1 1 calc R . .
C10 C 0.8226(3) 0.7478(5) -0.0734(4) 0.0305(17) Uani 1 1 d . . .
C11 C 0.7609(4) 0.8024(6) -0.0864(4) 0.0387(19) Uani 1 1 d . . .
H11A H 0.7203 0.7592 -0.1092 0.046 Uiso 1 1 calc R . .
C12 C 0.7581(3) 0.9179(6) -0.0665(4) 0.0401(18) Uani 1 1 d . . .
H12A H 0.7159 0.9519 -0.0765 0.048 Uiso 1 1 calc R . .
C13 C 0.9213(4) 0.5656(5) 0.0397(4) 0.0318(17) Uani 1 1 d . . .
C14 C 0.8170(5) 1.1124(6) -0.0094(4) 0.040(2) Uani 1 1 d . . .
C15 C 1.0253(4) 0.3171(6) 0.1695(5) 0.0378(19) Uani 1 1 d . . .
H15A H 0.9888 0.3561 0.1273 0.045 Uiso 1 1 calc R . .
C16 C 1.0270(3) 0.1962(5) 0.1660(4) 0.0310(17) Uani 1 1 d . . .
H16A H 0.9932 0.1558 0.1217 0.037 Uiso 1 1 calc R . .
C17 C 1.0795(3) 0.1365(5) 0.2290(4) 0.0252(17) Uani 1 1 d . . .
C18 C 1.1286(4) 0.2011(6) 0.2922(4) 0.0359(18) Uani 1 1 d . . .
H18A H 1.1647 0.1638 0.3358 0.043 Uiso 1 1 calc R . .
C19 C 1.1237(4) 0.3227(6) 0.2904(5) 0.0371(19) Uani 1 1 d . . .
H19A H 1.1574 0.3652 0.3335 0.045 Uiso 1 1 calc R . .
C20 C 1.0618(4) -0.1794(5) 0.1610(5) 0.0372(19) Uani 1 1 d . . .
H20A H 1.0516 -0.2213 0.1119 0.045 Uiso 1 1 calc R . .
C21 C 1.0635(3) -0.0594(6) 0.1578(4) 0.0350(17) Uani 1 1 d . . .
H21A H 1.0538 -0.0220 0.1071 0.042 Uiso 1 1 calc R . .
C22 C 1.0797(3) 0.0064(5) 0.2304(4) 0.0274(17) Uani 1 1 d . . .
C23 C 1.0934(3) -0.0561(6) 0.3028(4) 0.0293(16) Uani 1 1 d . . .
H23A H 1.1057 -0.0169 0.3534 0.035 Uiso 1 1 calc R . .
C24 C 1.0889(3) -0.1778(5) 0.3001(5) 0.0314(17) Uani 1 1 d . . .
H24A H 1.0968 -0.2181 0.3492 0.038 Uiso 1 1 calc R . .
N1 N 1.0729(3) 0.3813(4) 0.2298(4) 0.0352(14) Uani 1 1 d . . .
N2 N 1.0739(3) -0.2386(4) 0.2306(4) 0.0321(14) Uani 1 1 d . . .
O1 O 0.9055(2) 0.5982(4) 0.0947(3) 0.0481(14) Uani 1 1 d . . .
O2 O 0.9848(2) 0.5481(4) 0.0537(3) 0.0403(13) Uani 1 1 d . . .
H2 H 0.9977 0.5310 0.0157 0.048 Uiso 0.50 1 d PR . .
O3 O 0.7568(3) 1.1503(4) -0.0216(3) 0.0598(17) Uani 1 1 d . . .
H3 H 0.7524 1.2193 -0.0065 0.072 Uiso 0.50 1 d PR . .
O4 O 0.8706(3) 1.1686(4) 0.0199(3) 0.0609(17) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1A N1 2.193(6) . ?
Ag1A N2 2.215(6) 1_565 ?
Ag1A O2 2.503(6) . ?
Ag1B N1 2.201(6) . ?
Ag1B N2 2.213(6) 1_565 ?
Ag1B O1 2.571(11) 2_755 ?
Ag1B Ag1B 2.947(16) 2_755 ?
Ag1C N1 2.208(6) . ?
Ag1C N2 2.215(5) 1_565 ?
Ag1C O2 2.683(7) . ?
Ag1C Ag1C 2.803(9) 2_755 ?
Ag1D N1 2.162(6) . ?
Ag1D N2 2.188(6) 1_565 ?
C1 C6 1.380(8) . ?
C1 C2 1.406(8) . ?
C1 C13 1.514(9) . ?
C2 C3 1.377(9) . ?
C2 C10 1.490(8) . ?
C3 C4 1.380(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.378(10) . ?
C4 H4A 0.9300 . ?
C5 C6 1.374(10) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C8 1.383(9) . ?
C7 C12 1.388(9) . ?
C7 C14 1.518(9) . ?
C8 C9 1.392(8) . ?
C8 H8A 0.9300 . ?
C9 C10 1.384(9) . ?
C9 H9A 0.9300 . ?
C10 C11 1.390(9) . ?
C11 C12 1.372(9) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 O1 1.214(7) . ?
C13 O2 1.291(7) . ?
C14 O4 1.222(9) . ?
C14 O3 1.290(9) . ?
C15 N1 1.336(8) . ?
C15 C16 1.383(9) . ?
C15 H15A 0.9300 . ?
C16 C17 1.378(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.375(9) . ?
C17 C22 1.485(7) . ?
C18 C19 1.392(8) . ?
C18 H18A 0.9300 . ?
C19 N1 1.334(8) . ?
C19 H19A 0.9300 . ?
C20 N2 1.325(8) . ?
C20 C21 1.372(8) . ?
C20 H20A 0.9300 . ?
C21 C22 1.394(9) . ?
C21 H21A 0.9300 . ?
C22 C23 1.379(8) . ?
C23 C24 1.392(8) . ?
C23 H23A 0.9300 . ?
C24 N2 1.323(8) . ?
C24 H24A 0.9300 . ?
N2 Ag1D 2.188(6) 1_545 ?
N2 Ag1B 2.213(6) 1_545 ?
N2 Ag1C 2.215(5) 1_545 ?
N2 Ag1A 2.215(6) 1_545 ?
O1 Ag1B 2.571(11) 2_755 ?
O2 H2 0.8501 . ?
O3 H3 0.8500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1A N2 159.7(3) . 1_565 ?
N1 Ag1A O2 93.9(2) . . ?
N2 Ag1A O2 105.9(2) 1_565 . ?
N1 Ag1B N2 159.0(6) . 1_565 ?
N1 Ag1B O1 106.6(4) . 2_755 ?
N2 Ag1B O1 92.4(3) 1_565 2_755 ?
N1 Ag1B Ag1B 96.3(2) . 2_755 ?
N2 Ag1B Ag1B 96.7(2) 1_565 2_755 ?
O1 Ag1B Ag1B 76.1(4) 2_755 2_755 ?
N1 Ag1C N2 157.6(3) . 1_565 ?
N1 Ag1C O2 88.8(2) . . ?
N2 Ag1C O2 100.2(2) 1_565 . ?
N1 Ag1C Ag1C 98.5(2) . 2_755 ?
N2 Ag1C Ag1C 98.7(2) 1_565 2_755 ?
O2 Ag1C Ag1C 105.6(3) . 2_755 ?
N1 Ag1D N2 172.0(4) . 1_565 ?
C6 C1 C2 119.3(6) . . ?
C6 C1 C13 118.2(6) . . ?
C2 C1 C13 122.3(5) . . ?
C3 C2 C1 117.8(6) . . ?
C3 C2 C10 119.1(6) . . ?
C1 C2 C10 123.1(6) . . ?
C2 C3 C4 122.5(7) . . ?
C2 C3 H3A 118.7 . . ?
C4 C3 H3A 118.7 . . ?
C5 C4 C3 119.2(7) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C6 C5 C4 119.4(6) . . ?
C6 C5 H5A 120.3 . . ?
C4 C5 H5A 120.3 . . ?
C5 C6 C1 121.7(7) . . ?
C5 C6 H6A 119.1 . . ?
C1 C6 H6A 119.1 . . ?
C8 C7 C12 118.2(6) . . ?
C8 C7 C14 120.0(7) . . ?
C12 C7 C14 121.8(7) . . ?
C7 C8 C9 121.6(6) . . ?
C7 C8 H8A 119.2 . . ?
C9 C8 H8A 119.2 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C10 C11 117.9(6) . . ?
C9 C10 C2 122.5(6) . . ?
C11 C10 C2 119.5(6) . . ?
C12 C11 C10 122.1(7) . . ?
C12 C11 H11A 119.0 . . ?
C10 C11 H11A 119.0 . . ?
C11 C12 C7 120.2(6) . . ?
C11 C12 H12A 119.9 . . ?
C7 C12 H12A 119.9 . . ?
O1 C13 O2 121.8(6) . . ?
O1 C13 C1 122.1(6) . . ?
O2 C13 C1 116.0(6) . . ?
O4 C14 O3 126.0(7) . . ?
O4 C14 C7 120.1(7) . . ?
O3 C14 C7 113.8(7) . . ?
N1 C15 C16 123.8(6) . . ?
N1 C15 H15A 118.1 . . ?
C16 C15 H15A 118.1 . . ?
C17 C16 C15 119.1(6) . . ?
C17 C16 H16A 120.5 . . ?
C15 C16 H16A 120.5 . . ?
C18 C17 C16 117.9(6) . . ?
C18 C17 C22 121.8(6) . . ?
C16 C17 C22 120.2(6) . . ?
C17 C18 C19 119.5(6) . . ?
C17 C18 H18A 120.3 . . ?
C19 C18 H18A 120.3 . . ?
N1 C19 C18 123.1(6) . . ?
N1 C19 H19A 118.5 . . ?
C18 C19 H19A 118.5 . . ?
N2 C20 C21 123.4(6) . . ?
N2 C20 H20A 118.3 . . ?
C21 C20 H20A 118.3 . . ?
C20 C21 C22 120.1(6) . . ?
C20 C21 H21A 120.0 . . ?
C22 C21 H21A 120.0 . . ?
C23 C22 C21 116.2(6) . . ?
C23 C22 C17 122.1(6) . . ?
C21 C22 C17 121.7(6) . . ?
C22 C23 C24 120.1(6) . . ?
C22 C23 H23A 120.0 . . ?
C24 C23 H23A 120.0 . . ?
N2 C24 C23 122.8(6) . . ?
N2 C24 H24A 118.6 . . ?
C23 C24 H24A 118.6 . . ?
C19 N1 C15 116.6(6) . . ?
C19 N1 Ag1D 116.3(5) . . ?
C15 N1 Ag1D 126.8(5) . . ?
C19 N1 Ag1A 128.2(5) . . ?
C15 N1 Ag1A 114.5(5) . . ?
Ag1D N1 Ag1A 12.53(12) . . ?
C19 N1 Ag1B 116.1(5) . . ?
C15 N1 Ag1B 126.6(5) . . ?
Ag1D N1 Ag1B 12.07(15) . . ?
Ag1A N1 Ag1B 19.6(3) . . ?
C19 N1 Ag1C 128.6(5) . . ?
C15 N1 Ag1C 114.6(5) . . ?
Ag1D N1 Ag1C 15.21(15) . . ?
Ag1A N1 Ag1C 12.18(11) . . ?
Ag1B N1 Ag1C 12.68(15) . . ?
C24 N2 C20 117.6(5) . . ?
C24 N2 Ag1D 120.6(5) . 1_545 ?
C20 N2 Ag1D 121.4(5) . 1_545 ?
C24 N2 Ag1B 112.4(5) . 1_545 ?
C20 N2 Ag1B 129.9(5) . 1_545 ?
Ag1D N2 Ag1B 11.99(15) 1_545 1_545 ?
C24 N2 Ag1C 123.0(5) . 1_545 ?
C20 N2 Ag1C 118.6(5) . 1_545 ?
Ag1D N2 Ag1C 15.13(15) 1_545 1_545 ?
Ag1B N2 Ag1C 12.63(15) 1_545 1_545 ?
C24 N2 Ag1A 131.7(5) . 1_545 ?
C20 N2 Ag1A 110.7(5) . 1_545 ?
Ag1D N2 Ag1A 12.40(12) 1_545 1_545 ?
Ag1B N2 Ag1A 19.4(3) 1_545 1_545 ?
Ag1C N2 Ag1A 12.10(10) 1_545 1_545 ?
C13 O1 Ag1B 143.7(5) . 2_755 ?
C13 O2 Ag1A 111.9(4) . . ?
C13 O2 Ag1C 102.6(4) . . ?
Ag1A O2 Ag1C 9.54(10) . . ?
C13 O2 H2 123.9 . . ?
Ag1A O2 H2 124.2 . . ?
Ag1C O2 H2 133.4 . . ?
C14 O3 H3 119.8 . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         1.112
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.102
