# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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 1880596'
_audit_update_record             
;
2018-11-22 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C4 Ag5 Cl N20 O12'
_chemical_formula_sum            'C4 Ag5 Cl N20 O12'
_chemical_formula_weight         1095.04

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           86
_space_group_name_H-M_alt        'P 42/n'
_space_group_name_Hall           '-P 4bc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.9865(7)
_cell_length_b                   12.9865(7)
_cell_length_c                   6.7777(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1143.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    1522
_cell_measurement_theta_min      3.74
_cell_measurement_theta_max      25.29

_exptl_crystal_description       needle
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.182
_exptl_crystal_F_000             1024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    4.428
_shelx_estimated_absorpt_T_min   0.538
_shelx_estimated_absorpt_T_max   0.843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6422
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6606
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_av_R_equivalents  0.0890
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_theta_min         3.137
_diffrn_reflns_theta_max         25.370
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             1057
_reflns_number_gt                738
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0177P)²+1.3484P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1057
_refine_ls_number_parameters     122
_refine_ls_number_restraints     144
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0335
_refine_ls_wR_factor_ref         0.0536
_refine_ls_wR_factor_gt          0.0471
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      0.975
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.02601(3) 0.35165(3) 0.08195(8) 0.02537(15) Uani 1 1 d . . . . .
Ag2 Ag 0.7500 0.7500 0.2500 0.0160(2) Uani 1 4 d S T P . .
C1 C 0.8727(4) 0.4416(4) 0.4161(9) 0.0163(12) Uani 1 1 d D . . . .
Cl1 Cl 1.2500 0.2500 0.2500 0.0190(6) Uani 1 4 d S T P . .
N1 N 0.9385(3) 0.4582(3) 0.2714(8) 0.0182(12) Uani 1 1 d . . . . .
N2 N 0.9104(3) 0.5515(3) 0.2025(7) 0.0164(12) Uani 1 1 d . . . . .
N3 N 0.8318(4) 0.5863(3) 0.3072(7) 0.0185(12) Uani 1 1 d . . . . .
N4 N 0.8059(3) 0.5170(3) 0.4453(7) 0.0175(12) Uani 1 1 d . . . . .
O1 O 1.2227(3) 0.3370(3) 0.1287(6) 0.0253(11) Uani 1 1 d . . . . .
N5 N 0.8742(13) 0.3478(14) 0.536(3) 0.021(3) Uani 0.450(3) 1 d D U P A 1
O2 O 0.9355(12) 0.2806(9) 0.491(3) 0.025(3) Uani 0.450(3) 1 d D U P A 1
O3 O 0.8100(10) 0.3418(10) 0.6697(18) 0.030(3) Uani 0.450(3) 1 d D U P A 1
N5A N 0.8898(14) 0.3574(16) 0.557(3) 0.022(3) Uiso 0.313(3) 1 d D U P A 2
O2A O 0.9574(17) 0.2955(15) 0.512(4) 0.020(5) Uiso 0.313(3) 1 d D U P A 2
O3A O 0.8405(13) 0.3586(13) 0.712(2) 0.025(4) Uiso 0.313(3) 1 d D U P A 2
N5Z N 0.8666(16) 0.346(2) 0.531(4) 0.022(4) Uiso 0.237(3) 1 d D U P A 3
O2Z O 0.944(2) 0.2936(19) 0.544(5) 0.023(6) Uiso 0.237(3) 1 d D U P A 3
O3Z O 0.7828(15) 0.3260(15) 0.606(3) 0.029(5) Uiso 0.237(3) 1 d D U P A 3


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.204(5) . ?
Ag1 N4 2.249(4) 4_564 ?
Ag1 N2 2.445(5) 5_765 ?
Ag1 O1 2.581(4) . ?
Ag2 N3 2.408(5) . ?
Ag2 N3 2.408(5) 7_576 ?
Ag2 N3 2.408(5) 8_756 ?
Ag2 N3 2.408(5) 2_665 ?
C1 N1 1.318(7) . ?
C1 N4 1.324(7) . ?
C1 N5Z 1.46(3) . ?
C1 N5 1.46(2) . ?
C1 N5A 1.47(2) . ?
Cl1 O1 1.442(4) 7_676 ?
Cl1 O1 1.442(4) 2_755 ?
Cl1 O1 1.442(4) 8_746 ?
Cl1 O1 1.442(4) . ?
N1 N2 1.348(6) . ?
N2 N3 1.323(6) . ?
N2 Ag1 2.445(5) 5_765 ?
N3 N4 1.341(6) . ?
N4 Ag1 2.249(4) 3_645 ?
N5 O2 1.220(11) . ?
N5 O3 1.234(12) . ?
N5A O2A 1.228(13) . ?
N5A O3A 1.232(14) . ?
N5Z O2Z 1.222(15) . ?
N5Z O3Z 1.232(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N4 141.68(17) . 4_564 ?
N1 Ag1 N2 108.08(16) . 5_765 ?
N4 Ag1 N2 99.26(16) 4_564 5_765 ?
N1 Ag1 O1 119.03(15) . . ?
N4 Ag1 O1 92.00(15) 4_564 . ?
N2 Ag1 O1 78.49(14) 5_765 . ?
N3 Ag2 N3 91.49(4) . 7_576 ?
N3 Ag2 N3 91.49(4) . 8_756 ?
N3 Ag2 N3 161.5(2) 7_576 8_756 ?
N3 Ag2 N3 161.5(2) . 2_665 ?
N3 Ag2 N3 91.49(4) 7_576 2_665 ?
N3 Ag2 N3 91.49(4) 8_756 2_665 ?
N1 C1 N4 114.5(5) . . ?
N1 C1 N5Z 124.7(9) . . ?
N4 C1 N5Z 120.7(9) . . ?
N1 C1 N5 122.8(7) . . ?
N4 C1 N5 122.8(7) . . ?
N1 C1 N5A 120.5(8) . . ?
N4 C1 N5A 123.6(8) . . ?
O1 Cl1 O1 108.98(17) 7_676 2_755 ?
O1 Cl1 O1 110.5(3) 7_676 8_746 ?
O1 Cl1 O1 108.98(17) 2_755 8_746 ?
O1 Cl1 O1 108.98(17) 7_676 . ?
O1 Cl1 O1 110.5(3) 2_755 . ?
O1 Cl1 O1 108.98(17) 8_746 . ?
C1 N1 N2 103.3(4) . . ?
C1 N1 Ag1 131.6(4) . . ?
N2 N1 Ag1 120.1(4) . . ?
N3 N2 N1 109.2(4) . . ?
N3 N2 Ag1 120.5(3) . 5_765 ?
N1 N2 Ag1 130.1(4) . 5_765 ?
N2 N3 N4 109.8(4) . . ?
N2 N3 Ag2 123.8(3) . . ?
N4 N3 Ag2 126.4(3) . . ?
C1 N4 N3 103.2(4) . . ?
C1 N4 Ag1 134.1(4) . 3_645 ?
N3 N4 Ag1 118.8(3) . 3_645 ?
Cl1 O1 Ag1 111.8(2) . . ?
O2 N5 O3 125.4(18) . . ?
O2 N5 C1 117.6(13) . . ?
O3 N5 C1 116.9(12) . . ?
O2A N5A O3A 126(2) . . ?
O2A N5A C1 115.9(15) . . ?
O3A N5A C1 117.8(14) . . ?
O2Z N5Z O3Z 125(3) . . ?
O2Z N5Z C1 118.0(17) . . ?
O3Z N5Z C1 116.8(17) . . ?

_refine_diff_density_max         0.545
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.151

####################################################################### 
# 
# 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_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1887776'
_audit_update_record             
;
2018-12-28 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C8 H12 Ag7 N19 O9'
_chemical_formula_sum            'C8 H12 Ag7 N19 O9'
_chemical_formula_weight         1273.46

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.7239(14)
_cell_length_b                   13.7587(16)
_cell_length_c                   14.5684(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2550.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    1668
_cell_measurement_theta_min      2.96
_cell_measurement_theta_max      25.99

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.317
_exptl_crystal_F_000             2376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    5.346
_shelx_estimated_absorpt_T_min   0.674
_shelx_estimated_absorpt_T_max   0.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6252
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6239
_diffrn_reflns_av_unetI/netI     0.0966
_diffrn_reflns_av_R_equivalents  0.0752
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.961
_diffrn_reflns_theta_max         26.374
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             2588
_reflns_number_gt                1869
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.781
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0218P)²+1.0498P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.44(16)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         2588
_refine_ls_number_parameters     199
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_ref         0.0804
_refine_ls_wR_factor_gt          0.0694
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.028
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.88015(13) 0.00835(10) 0.87728(12) 0.0230(4) Uani 1 1 d . . . . .
Ag2 Ag 0.37957(14) -0.02976(10) 0.87898(11) 0.0219(4) Uani 1 1 d . . . . .
Ag3 Ag 0.0000 0.24061(16) 0.7500 0.0187(4) Uani 1 2 d S T P . .
Ag4 Ag 0.29302(9) 0.23354(11) 0.83408(8) 0.0244(3) Uani 1 1 d . . . . .
C1 C 0.1282(19) -0.0301(11) 0.8886(13) 0.015(4) Uani 1 1 d . U . . .
C2 C 0.1213(17) -0.1283(11) 0.9301(13) 0.020(4) Uani 1 1 d . U . . .
H2A H 0.1595 -0.1749 0.8917 0.030 Uiso 1 1 calc R U . . .
H2B H 0.0474 -0.1478 0.9344 0.030 Uiso 1 1 calc R U . . .
H2C H 0.1524 -0.1271 0.9916 0.030 Uiso 1 1 calc R U . . .
C3 C 0.6268(17) 0.0140(12) 0.8839(13) 0.016(4) Uani 1 1 d . . . . .
C4 C 0.6224(18) 0.1153(11) 0.9141(12) 0.018(4) Uani 1 1 d . U . . .
H4A H 0.6471 0.1577 0.8646 0.027 Uiso 1 1 calc R U . . .
H4B H 0.6674 0.1238 0.9681 0.027 Uiso 1 1 calc R U . . .
H4C H 0.5499 0.1322 0.9300 0.027 Uiso 1 1 calc R U . . .
N1 N 0.2188(14) 0.0144(10) 0.8691(11) 0.018(4) Uani 1 1 d . . . . .
N2 N 0.1922(14) 0.1028(10) 0.8330(12) 0.018(4) Uani 1 1 d . U . . .
N3 N 0.0888(12) 0.1099(10) 0.8324(12) 0.015(4) Uani 1 1 d . U . . .
N4 N 0.0470(13) 0.0279(9) 0.8663(12) 0.016(4) Uani 1 1 d . . . . .
N5 N 0.5458(12) -0.0437(9) 0.8659(11) 0.015(4) Uani 1 1 d . U . . .
N6 N 0.5870(12) -0.1304(10) 0.8371(12) 0.020(4) Uani 1 1 d . U . . .
N7 N 0.6908(13) -0.1240(10) 0.8394(11) 0.016(4) Uani 1 1 d . . . . .
N8 N 0.7170(14) -0.0329(10) 0.8670(11) 0.016(4) Uani 1 1 d . . . . .
N9 N 0.1382(8) 0.2502(12) 0.5432(7) 0.016(3) Uani 1 1 d . U . . .
N10 N 0.5000 0.2852(15) 0.7500 0.012(5) Uani 1 2 d S TU P . .
O1 O 0.1334(11) 0.3259(9) 0.4945(8) 0.028(4) Uani 1 1 d . . . . .
O2 O 0.1349(13) 0.1684(10) 0.5078(9) 0.037(5) Uani 1 1 d . . . . .
O3 O 0.1484(7) 0.2608(11) 0.6295(6) 0.035(3) Uani 1 1 d . . . . .
O4 O 0.4221(9) 0.3333(9) 0.7795(8) 0.030(3) Uani 1 1 d . U . . .
O5 O 0.5000 0.1971(13) 0.7500 0.034(6) Uani 1 2 d S T 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 N4 2.146(16) 1_655 ?
Ag1 N8 2.157(18) . ?
Ag2 N5 2.133(16) . ?
Ag2 N1 2.139(18) . ?
Ag3 N3 2.440(15) . ?
Ag3 N3 2.440(15) 3_556 ?
Ag3 N6 2.446(15) 5_455 ?
Ag3 N6 2.446(15) 7_556 ?
Ag3 O3 2.594(9) . ?
Ag3 O3 2.594(9) 3_556 ?
Ag4 N2 2.210(15) . ?
Ag4 O4 2.283(12) . ?
Ag4 N7 2.354(14) 5_455 ?
C1 N1 1.34(2) . ?
C1 N4 1.35(2) . ?
C1 C2 1.48(2) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 N5 1.33(2) . ?
C3 N8 1.34(2) . ?
C3 C4 1.46(2) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
N1 N2 1.37(2) . ?
N2 N3 1.32(2) . ?
N3 N4 1.34(2) . ?
N4 Ag1 2.146(16) 1_455 ?
N5 N6 1.369(19) . ?
N6 N7 1.32(2) . ?
N6 Ag3 2.446(15) 5_545 ?
N7 N8 1.358(19) . ?
N7 Ag4 2.354(14) 5_545 ?
N9 O2 1.239(19) . ?
N9 O1 1.262(18) . ?
N9 O3 1.272(13) . ?
N10 O5 1.21(2) . ?
N10 O4 1.267(15) 3_656 ?
N10 O4 1.267(15) . ?

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
N4 Ag1 N8 168.5(6) 1_655 . ?
N5 Ag2 N1 165.5(6) . . ?
N3 Ag3 N3 85.0(7) . 3_556 ?
N3 Ag3 N6 94.0(4) . 5_455 ?
N3 Ag3 N6 178.2(7) 3_556 5_455 ?
N3 Ag3 N6 178.2(7) . 7_556 ?
N3 Ag3 N6 94.0(4) 3_556 7_556 ?
N6 Ag3 N6 87.0(8) 5_455 7_556 ?
N3 Ag3 O3 94.3(5) . . ?
N3 Ag3 O3 94.8(5) 3_556 . ?
N6 Ag3 O3 86.8(5) 5_455 . ?
N6 Ag3 O3 84.3(5) 7_556 . ?
N3 Ag3 O3 94.8(5) . 3_556 ?
N3 Ag3 O3 94.3(5) 3_556 3_556 ?
N6 Ag3 O3 84.3(5) 5_455 3_556 ?
N6 Ag3 O3 86.8(5) 7_556 3_556 ?
O3 Ag3 O3 167.7(7) . 3_556 ?
N2 Ag4 O4 154.7(5) . . ?
N2 Ag4 N7 110.9(4) . 5_455 ?
O4 Ag4 N7 84.8(5) . 5_455 ?
N1 C1 N4 109.8(15) . . ?
N1 C1 C2 123.8(19) . . ?
N4 C1 C2 126(2) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N5 C3 N8 109.9(15) . . ?
N5 C3 C4 126.9(19) . . ?
N8 C3 C4 123.2(18) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C1 N1 N2 106.0(15) . . ?
C1 N1 Ag2 132.9(12) . . ?
N2 N1 Ag2 121.0(12) . . ?
N3 N2 N1 108.3(15) . . ?
N3 N2 Ag4 121.3(12) . . ?
N1 N2 Ag4 125.3(13) . . ?
N2 N3 N4 109.3(14) . . ?
N2 N3 Ag3 121.3(12) . . ?
N4 N3 Ag3 128.1(11) . . ?
N3 N4 C1 106.4(16) . . ?
N3 N4 Ag1 121.7(11) . 1_455 ?
C1 N4 Ag1 131.9(12) . 1_455 ?
C3 N5 N6 106.6(15) . . ?
C3 N5 Ag2 134.3(12) . . ?
N6 N5 Ag2 119.0(11) . . ?
N7 N6 N5 108.4(14) . . ?
N7 N6 Ag3 120.9(11) . 5_545 ?
N5 N6 Ag3 128.2(12) . 5_545 ?
N6 N7 N8 108.3(14) . . ?
N6 N7 Ag4 119.7(11) . 5_545 ?
N8 N7 Ag4 130.0(12) . 5_545 ?
C3 N8 N7 106.8(16) . . ?
C3 N8 Ag1 133.2(12) . . ?
N7 N8 Ag1 120.0(12) . . ?
O2 N9 O1 121.0(12) . . ?
O2 N9 O3 121.3(16) . . ?
O1 N9 O3 117.8(17) . . ?
O5 N10 O4 121.5(9) . 3_656 ?
O5 N10 O4 121.5(9) . . ?
O4 N10 O4 117.0(19) 3_656 . ?
N9 O3 Ag3 125.6(8) . . ?
N10 O4 Ag4 111.5(10) . . ?

_refine_diff_density_max         0.983
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.246

####################################################################### 
# 
# 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_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1887778'
_audit_update_record             
;
2018-12-28 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C2 H2 Ag3 N9 O3'
_chemical_formula_sum            'C2 H2 Ag3 N9 O3'
_chemical_formula_weight         523.74

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_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                   10.9448(10)
_cell_length_b                   8.0109(9)
_cell_length_c                   10.9401(9)
_cell_angle_alpha                90
_cell_angle_beta                 98.040(3)
_cell_angle_gamma                90
_cell_volume                     949.77(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    1432
_cell_measurement_theta_min      3.16
_cell_measurement_theta_max      25.36

_exptl_crystal_description       column
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.663
_exptl_crystal_F_000             968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    6.140
_shelx_estimated_absorpt_T_min   0.552
_shelx_estimated_absorpt_T_max   0.791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6544
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            3473
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.162
_diffrn_reflns_theta_max         25.385
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             872
_reflns_number_gt                741
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0343P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         872
_refine_ls_number_parameters     79
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0275
_refine_ls_wR_factor_ref         0.0650
_refine_ls_wR_factor_gt          0.0616
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.0000 0.12184(9) -0.2500 0.0152(2) Uani 1 2 d S T P . .
Ag2 Ag 0.22596(4) 0.23040(6) 0.31279(4) 0.01512(17) Uani 1 1 d . . . . .
C1 C 0.1140(5) 0.1897(8) 0.0292(6) 0.0131(14) Uani 1 1 d . . . . .
H1 H 0.0765 0.2964 0.0314 0.016 Uiso 1 1 calc R U . . .
N1 N 0.1075(4) 0.0934(7) -0.0703(4) 0.0131(12) Uani 1 1 d . . . . .
N2 N 0.1718(4) -0.0461(7) -0.0349(4) 0.0136(11) Uani 1 1 d . . . . .
N3 N 0.2157(4) -0.0334(7) 0.0830(4) 0.0129(12) Uani 1 1 d . . . . .
N4 N 0.1806(4) 0.1158(7) 0.1255(4) 0.0134(12) Uani 1 1 d . . . . .
N5 N 0.0000 0.4947(9) 0.2500 0.0135(17) Uani 1 2 d S T P . .
O1 O 0.0000 0.3399(8) 0.2500 0.0204(15) Uani 1 2 d S T P . .
O2 O -0.0467(4) 0.5734(6) 0.3318(4) 0.0228(11) 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 N1 2.157(5) . ?
Ag1 N1 2.157(5) 2_554 ?
Ag2 N4 2.237(5) . ?
Ag2 N3 2.255(5) 4 ?
Ag2 N2 2.363(5) 6_556 ?
Ag2 O1 2.623(2) . ?
C1 N1 1.328(8) . ?
C1 N4 1.333(8) . ?
C1 H1 0.9500 . ?
N1 N2 1.349(7) . ?
N2 N3 1.315(6) . ?
N2 Ag2 2.363(5) 6 ?
N3 N4 1.357(7) . ?
N3 Ag2 2.255(5) 4_545 ?
N5 O1 1.239(10) . ?
N5 O2 1.260(6) 2 ?
N5 O2 1.260(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N1 167.9(3) . 2_554 ?
N4 Ag2 N3 144.95(19) . 4 ?
N4 Ag2 N2 110.11(18) . 6_556 ?
N3 Ag2 N2 104.42(18) 4 6_556 ?
N4 Ag2 O1 79.46(14) . . ?
N3 Ag2 O1 92.39(18) 4 . ?
N2 Ag2 O1 94.21(15) 6_556 . ?
N1 C1 N4 110.5(5) . . ?
N1 C1 H1 124.7 . . ?
N4 C1 H1 124.7 . . ?
C1 N1 N2 106.3(5) . . ?
C1 N1 Ag1 130.2(4) . . ?
N2 N1 Ag1 123.1(4) . . ?
N3 N2 N1 108.8(5) . . ?
N3 N2 Ag2 130.3(4) . 6 ?
N1 N2 Ag2 119.2(3) . 6 ?
N2 N3 N4 108.8(5) . . ?
N2 N3 Ag2 118.0(4) . 4_545 ?
N4 N3 Ag2 129.7(4) . 4_545 ?
C1 N4 N3 105.6(5) . . ?
C1 N4 Ag2 124.6(4) . . ?
N3 N4 Ag2 129.7(4) . . ?
O1 N5 O2 120.0(4) . 2 ?
O1 N5 O2 120.0(4) . . ?
O2 N5 O2 119.9(7) 2 . ?
N5 O1 Ag2 109.54(14) . . ?

_refine_diff_density_max         0.690
_refine_diff_density_min         -1.227
_refine_diff_density_rms         0.236

####################################################################### 
# 
# 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_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1880597'
_audit_update_record             
;
2018-11-22 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C4 Ag5 N21 O11'
_chemical_formula_sum            'C4 Ag5 N21 O11'
_chemical_formula_weight         1057.60

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P n'
_space_group_name_Hall           'P -2yac'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.5704(7)
_cell_length_b                   6.5629(4)
_cell_length_c                   13.3028(7)
_cell_angle_alpha                90
_cell_angle_beta                 90.303(2)
_cell_angle_gamma                90
_cell_volume                     1097.44(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    4517
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      25.12

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.201
_exptl_crystal_F_000             988
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    4.486
_shelx_estimated_absorpt_T_min   0.688
_shelx_estimated_absorpt_T_max   0.744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6853
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12518
_diffrn_reflns_av_unetI/netI     0.0499
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.063
_diffrn_reflns_theta_max         25.427
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3978
_reflns_number_gt                3552
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.997
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.998

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0269P)²+1.3480P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.46(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3978
_refine_ls_number_parameters     388
_refine_ls_number_restraints     121
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0333
_refine_ls_wR_factor_ref         0.0645
_refine_ls_wR_factor_gt          0.0616
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.042
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.76556(8) 0.64583(17) 0.37857(8) 0.0272(3) Uani 1 1 d . . . . .
Ag2 Ag 0.46891(8) 0.40431(17) 0.47012(8) 0.0270(3) Uani 1 1 d . . . . .
Ag3 Ag 0.38289(8) 0.72657(15) 0.69728(7) 0.0196(2) Uani 1 1 d . . . . .
Ag4 Ag 0.59667(9) 1.04146(17) 0.80033(8) 0.0295(3) Uani 1 1 d . . . . .
Ag5 Ag 0.65146(8) 0.87296(17) 1.10386(7) 0.0270(3) Uani 1 1 d . . . . .
C1A C 0.6878(11) 0.9095(18) 0.5738(9) 0.018(3) Uani 1 1 d . . . . .
C1B C 0.4913(11) 0.539(2) 1.0059(9) 0.020(3) Uani 1 1 d . . . . .
C1C C 0.7498(10) 1.3827(19) 0.8929(10) 0.018(3) Uani 1 1 d . . . . .
C1D C 0.5712(10) 0.0783(19) 0.3176(8) 0.011(3) Uani 1 1 d . . . . .
N1A N 0.6650(8) 0.7761(17) 0.5001(8) 0.019(2) Uani 1 1 d . . . . .
N2A N 0.5731(11) 0.687(2) 0.5327(9) 0.025(3) Uani 1 1 d . . . . .
N3A N 0.5482(9) 0.7645(17) 0.6191(8) 0.022(3) Uani 1 1 d . . . . .
N4A N 0.6198(9) 0.9043(17) 0.6484(8) 0.021(3) Uani 1 1 d . . . . .
N5A N 0.7776(10) 1.0441(18) 0.5681(9) 0.029(3) Uani 1 1 d . . . . .
N1B N 0.5577(8) 0.6962(17) 0.9917(8) 0.018(2) Uani 1 1 d . . . . .
N2B N 0.5349(9) 0.7605(18) 0.8987(9) 0.021(3) Uani 1 1 d . . . . .
N3B N 0.4602(9) 0.6507(18) 0.8590(9) 0.025(3) Uani 1 1 d . . . . .
N4B N 0.4289(9) 0.5039(18) 0.9264(8) 0.024(3) Uani 1 1 d . . . . .
N5B N 0.4910(10) 0.4166(17) 1.0939(8) 0.026(3) Uani 1 1 d . . . . .
N1C N 0.6849(8) 1.2276(18) 0.9128(8) 0.022(3) Uani 1 1 d . . . . .
N2C N 0.7150(8) 1.1675(18) 1.0030(8) 0.020(3) Uani 1 1 d . . . . .
N3C N 0.7918(9) 1.2843(17) 1.0381(8) 0.021(3) Uani 1 1 d . . . . .
N4C N 0.8145(9) 1.4238(17) 0.9672(8) 0.020(3) Uani 1 1 d . . . . .
N5C N 0.7419(11) 1.5015(18) 0.8005(10) 0.031(3) Uani 1 1 d . . . . .
N1D N 0.5858(8) 0.2419(17) 0.3724(8) 0.018(2) Uani 1 1 d . . . . .
N2D N 0.6781(8) 0.3178(18) 0.3397(8) 0.018(2) Uani 1 1 d . . . . .
N3D N 0.7155(8) 0.2033(17) 0.2674(7) 0.019(3) Uani 1 1 d . . . . .
N4D N 0.6478(9) 0.0457(17) 0.2523(7) 0.019(2) Uani 1 1 d . . . . .
N5D N 0.4817(10) -0.060(2) 0.3307(9) 0.029(3) Uani 1 1 d . . . . .
O1A O 0.8231(9) 1.0589(17) 0.4868(8) 0.040(3) Uani 1 1 d . . . . .
O2A O 0.8032(9) 1.1335(19) 0.6448(9) 0.051(3) Uani 1 1 d . . . . .
O1B O 0.5575(9) 0.4549(16) 1.1573(7) 0.037(3) Uani 1 1 d . . . . .
O2B O 0.4302(12) 0.276(2) 1.0962(9) 0.068(5) Uani 1 1 d . . . . .
O1C O 0.6760(9) 1.4554(17) 0.7395(8) 0.039(3) Uani 1 1 d . . . . .
O2C O 0.8062(11) 1.635(2) 0.7906(9) 0.062(4) Uani 1 1 d . . . . .
O1D O 0.4131(8) -0.0062(16) 0.3898(8) 0.036(3) Uani 1 1 d . . . . .
O2D O 0.4834(9) -0.2169(17) 0.2832(9) 0.046(3) Uani 1 1 d . . . . .
N6 N 0.8905(16) 0.771(4) 0.1944(14) 0.025(3) Uani 0.61(4) 1 d D U P A 1
O3 O 0.8998(17) 0.873(3) 0.2725(13) 0.021(4) Uani 0.61(4) 1 d D U P A 1
O4 O 0.810(2) 0.663(5) 0.181(2) 0.026(5) Uani 0.61(4) 1 d D U P A 1
O5 O 0.9610(18) 0.774(3) 0.1295(14) 0.033(4) Uani 0.61(4) 1 d D U P A 1
N6' N 0.877(3) 0.775(6) 0.197(2) 0.026(4) Uiso 0.39(4) 1 d D U P A 2
O3' O 0.916(3) 0.836(6) 0.278(2) 0.024(5) Uiso 0.39(4) 1 d D U P A 2
O4' O 0.800(4) 0.656(9) 0.198(3) 0.023(6) Uiso 0.39(4) 1 d D U P A 2
O5' O 0.915(3) 0.835(5) 0.1161(18) 0.030(5) Uiso 0.39(4) 1 d D U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1A 2.228(11) . ?
Ag1 N4B 2.361(11) 2_564 ?
Ag1 O4' 2.44(4) . ?
Ag1 N2D 2.470(12) . ?
Ag2 N1D 2.237(11) . ?
Ag2 N4C 2.245(10) 2_474 ?
Ag2 N2A 2.414(13) . ?
Ag2 O5 2.425(15) 2_465 ?
Ag2 O5' 2.59(3) 2_465 ?
Ag3 N3A 2.342(11) . ?
Ag3 N3D 2.352(11) 2_465 ?
Ag3 N3C 2.403(11) 2_474 ?
Ag3 N3B 2.408(11) . ?
Ag4 N1C 2.223(11) . ?
Ag4 N4A 2.232(10) . ?
Ag4 N2B 2.393(12) . ?
Ag4 O3' 2.43(4) 2_475 ?
Ag4 O3 2.56(2) 2_475 ?
Ag5 N1B 2.223(10) . ?
Ag5 N4D 2.278(10) 1_566 ?
Ag5 N2C 2.487(11) . ?
C1A N4A 1.314(16) . ?
C1A N1A 1.344(16) . ?
C1A N5A 1.436(17) . ?
C1B N4B 1.333(16) . ?
C1B N1B 1.340(17) . ?
C1B N5B 1.421(17) . ?
C1C N4C 1.305(16) . ?
C1C N1C 1.332(17) . ?
C1C N5C 1.458(17) . ?
C1D N1D 1.310(16) . ?
C1D N4D 1.318(16) . ?
C1D N5D 1.455(17) . ?
N1A N2A 1.369(17) . ?
N2A N3A 1.297(16) . ?
N3A N4A 1.343(15) . ?
N5A O2A 1.218(15) . ?
N5A O1A 1.231(16) . ?
N1B N2B 1.338(15) . ?
N2B N3B 1.294(16) . ?
N3B N4B 1.375(16) . ?
N4B Ag1 2.361(11) 2_465 ?
N5B O2B 1.199(15) . ?
N5B O1B 1.210(14) . ?
N1C N2C 1.316(15) . ?
N2C N3C 1.317(15) . ?
N3C N4C 1.346(15) . ?
N3C Ag3 2.403(11) 2_575 ?
N4C Ag2 2.245(10) 2_575 ?
N5C O1C 1.196(15) . ?
N5C O2C 1.198(16) . ?
N1D N2D 1.338(15) . ?
N2D N3D 1.310(15) . ?
N3D N4D 1.353(15) . ?
N3D Ag3 2.352(11) 2_564 ?
N4D Ag5 2.278(10) 1_544 ?
N5D O2D 1.211(16) . ?
N5D O1D 1.220(15) . ?
N6 O5 1.241(16) . ?
N6 O3 1.243(16) . ?
N6 O4 1.250(16) . ?
O3 Ag4 2.56(2) 2_574 ?
O5 Ag2 2.425(15) 2_564 ?
N6' O5' 1.245(19) . ?
N6' O3' 1.246(19) . ?
N6' O4' 1.247(19) . ?
O3' Ag4 2.43(4) 2_574 ?
O5' Ag2 2.59(3) 2_564 ?

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
N1A Ag1 N4B 117.4(4) . 2_564 ?
N1A Ag1 O4' 143.9(16) . . ?
N4B Ag1 O4' 96.7(15) 2_564 . ?
N1A Ag1 N2D 103.5(4) . . ?
N4B Ag1 N2D 94.5(4) 2_564 . ?
O4' Ag1 N2D 84.2(10) . . ?
N1D Ag2 N4C 143.1(4) . 2_474 ?
N1D Ag2 N2A 102.1(4) . . ?
N4C Ag2 N2A 95.0(4) 2_474 . ?
N1D Ag2 O5 107.9(5) . 2_465 ?
N4C Ag2 O5 102.6(5) 2_474 2_465 ?
N2A Ag2 O5 95.4(8) . 2_465 ?
N1D Ag2 O5' 108.8(6) . 2_465 ?
N4C Ag2 O5' 95.0(7) 2_474 2_465 ?
N2A Ag2 O5' 110.5(8) . 2_465 ?
N3A Ag3 N3D 162.4(4) . 2_465 ?
N3A Ag3 N3C 91.8(4) . 2_474 ?
N3D Ag3 N3C 86.1(3) 2_465 2_474 ?
N3A Ag3 N3B 93.7(4) . . ?
N3D Ag3 N3B 92.5(4) 2_465 . ?
N3C Ag3 N3B 165.8(4) 2_474 . ?
N1C Ag4 N4A 139.8(4) . . ?
N1C Ag4 N2B 102.6(4) . . ?
N4A Ag4 N2B 103.2(4) . . ?
N1C Ag4 O3' 111.3(9) . 2_475 ?
N4A Ag4 O3' 98.6(8) . 2_475 ?
N2B Ag4 O3' 90.8(9) . 2_475 ?
N1C Ag4 O3 117.1(6) . 2_475 ?
N4A Ag4 O3 95.0(5) . 2_475 ?
N2B Ag4 O3 86.0(5) . 2_475 ?
N1B Ag5 N4D 145.9(4) . 1_566 ?
N1B Ag5 N2C 102.4(4) . . ?
N4D Ag5 N2C 95.1(4) 1_566 . ?
N4A C1A N1A 113.4(12) . . ?
N4A C1A N5A 124.8(12) . . ?
N1A C1A N5A 121.8(12) . . ?
N4B C1B N1B 112.8(11) . . ?
N4B C1B N5B 123.4(13) . . ?
N1B C1B N5B 123.7(12) . . ?
N4C C1C N1C 112.8(12) . . ?
N4C C1C N5C 124.5(12) . . ?
N1C C1C N5C 122.5(12) . . ?
N1D C1D N4D 113.5(11) . . ?
N1D C1D N5D 123.3(11) . . ?
N4D C1D N5D 123.1(11) . . ?
C1A N1A N2A 103.0(11) . . ?
C1A N1A Ag1 131.3(9) . . ?
N2A N1A Ag1 123.3(9) . . ?
N3A N2A N1A 108.7(11) . . ?
N3A N2A Ag2 118.4(10) . . ?
N1A N2A Ag2 132.6(9) . . ?
N2A N3A N4A 111.3(12) . . ?
N2A N3A Ag3 124.8(9) . . ?
N4A N3A Ag3 122.6(8) . . ?
C1A N4A N3A 103.6(10) . . ?
C1A N4A Ag4 139.7(9) . . ?
N3A N4A Ag4 116.6(8) . . ?
O2A N5A O1A 125.2(12) . . ?
O2A N5A C1A 117.2(12) . . ?
O1A N5A C1A 117.6(12) . . ?
N2B N1B C1B 104.0(10) . . ?
N2B N1B Ag5 124.5(8) . . ?
C1B N1B Ag5 129.5(8) . . ?
N3B N2B N1B 110.7(11) . . ?
N3B N2B Ag4 116.3(9) . . ?
N1B N2B Ag4 132.9(8) . . ?
N2B N3B N4B 109.5(11) . . ?
N2B N3B Ag3 122.5(9) . . ?
N4B N3B Ag3 127.7(8) . . ?
C1B N4B N3B 103.0(11) . . ?
C1B N4B Ag1 142.5(9) . 2_465 ?
N3B N4B Ag1 111.5(8) . 2_465 ?
O2B N5B O1B 125.5(13) . . ?
O2B N5B C1B 117.5(12) . . ?
O1B N5B C1B 116.8(12) . . ?
N2C N1C C1C 103.7(10) . . ?
N2C N1C Ag4 126.1(9) . . ?
C1C N1C Ag4 126.1(9) . . ?
N3C N2C N1C 110.8(11) . . ?
N3C N2C Ag5 119.9(8) . . ?
N1C N2C Ag5 129.3(8) . . ?
N2C N3C N4C 107.8(10) . . ?
N2C N3C Ag3 129.8(8) . 2_575 ?
N4C N3C Ag3 122.4(8) . 2_575 ?
C1C N4C N3C 104.8(10) . . ?
C1C N4C Ag2 130.7(9) . 2_575 ?
N3C N4C Ag2 121.1(8) . 2_575 ?
O1C N5C O2C 125.1(13) . . ?
O1C N5C C1C 118.7(12) . . ?
O2C N5C C1C 116.1(12) . . ?
C1D N1D N2D 104.1(10) . . ?
C1D N1D Ag2 128.5(9) . . ?
N2D N1D Ag2 125.8(8) . . ?
N3D N2D N1D 109.9(11) . . ?
N3D N2D Ag1 119.6(8) . . ?
N1D N2D Ag1 129.9(8) . . ?
N2D N3D N4D 108.7(10) . . ?
N2D N3D Ag3 120.2(8) . 2_564 ?
N4D N3D Ag3 130.8(8) . 2_564 ?
C1D N4D N3D 103.8(10) . . ?
C1D N4D Ag5 132.1(8) . 1_544 ?
N3D N4D Ag5 119.5(8) . 1_544 ?
O2D N5D O1D 126.5(13) . . ?
O2D N5D C1D 116.8(12) . . ?
O1D N5D C1D 116.6(12) . . ?
O5 N6 O3 120.5(16) . . ?
O5 N6 O4 119.8(16) . . ?
O3 N6 O4 119.7(16) . . ?
N6 O3 Ag4 109.0(14) . 2_574 ?
N6 O5 Ag2 129.2(13) . 2_564 ?
O5' N6' O3' 120(2) . . ?
O5' N6' O4' 121(2) . . ?
O3' N6' O4' 119(2) . . ?
N6' O3' Ag4 125(2) . 2_574 ?
N6' O4' Ag1 100(2) . . ?
N6' O5' Ag2 124(2) . 2_564 ?

_refine_diff_density_max         0.899
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.149

####################################################################### 
# 
# 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_CCDC4
_database_code_depnum_ccdc_archive 'CCDC 1887777'
_audit_update_record             
;
2018-12-28 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C4 H8 Ag7 N23 O9'
_chemical_formula_sum            'C4 H8 Ag7 N23 O9'
_chemical_formula_weight         1277.42

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   7.0494(4)
_cell_length_b                   9.2238(5)
_cell_length_c                   9.4011(5)
_cell_angle_alpha                93.300(2)
_cell_angle_beta                 97.259(2)
_cell_angle_gamma                105.496(2)
_cell_volume                     581.67(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3830
_cell_measurement_theta_min      3.16
_cell_measurement_theta_max      25.30

_exptl_crystal_description       plate
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.647
_exptl_crystal_F_000             594
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    5.865
_shelx_estimated_absorpt_T_min   0.592
_shelx_estimated_absorpt_T_max   0.844
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4600
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13362
_diffrn_reflns_av_unetI/netI     0.0666
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.194
_diffrn_reflns_theta_max         25.419
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3985
_reflns_number_gt                3477
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1077P)²+6.6591P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(16)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3985
_refine_ls_number_parameters     443
_refine_ls_number_restraints     520
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0623
_refine_ls_wR_factor_ref         0.1799
_refine_ls_wR_factor_gt          0.1729
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_restrained_S_all      1.097
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.3100(5) 0.5482(4) 0.3954(4) 0.0280(8) Uani 1 1 d . . . . .
Ag2 Ag 0.2393(5) 0.7977(3) 0.6566(3) 0.0255(7) Uani 1 1 d . . . . .
Ag3 Ag 0.5471(4) 0.7723(3) 1.0800(3) 0.0163(6) Uani 1 1 d . . . . .
Ag4 Ag 0.5326(4) 1.2182(3) 0.6251(3) 0.0167(6) Uani 1 1 d . . . . .
Ag5 Ag 0.0389(4) -0.1253(3) 0.1694(3) 0.0161(6) Uani 1 1 d . . . . .
Ag6 Ag 0.0483(4) 0.3450(3) 0.6975(3) 0.0189(6) Uani 1 1 d . . . . .
Ag7 Ag 0.2588(5) 0.2919(3) 0.0832(3) 0.0238(7) Uani 1 1 d . . . . .
C1A C 0.045(5) 0.077(4) 0.464(3) 0.009(5) Uani 1 1 d . U . . .
C1B C 0.584(5) 1.030(4) 0.344(4) 0.018(8) Uani 1 1 d . U . . .
C1C C 0.562(5) 0.489(4) 0.875(3) 0.007(7) Uani 1 1 d . U . . .
C1D C 0.021(5) 0.637(4) -0.097(4) 0.015(6) Uani 1 1 d . U . . .
N1A N 0.095(4) 0.229(3) 0.511(3) 0.017(5) Uani 1 1 d . U . . .
N2A N 0.167(4) 0.300(3) 0.399(3) 0.010(4) Uani 1 1 d . U . . .
N3A N 0.168(4) 0.203(3) 0.292(3) 0.010(4) Uani 1 1 d . U . . .
N4A N 0.099(4) 0.069(3) 0.330(3) 0.011(4) Uani 1 1 d . U . . .
N5A N -0.035(5) -0.036(3) 0.533(3) 0.022(7) Uani 1 1 d . U . . .
H5A1 H -0.0599 -0.1291 0.4936 0.026 Uiso 1 1 calc R U . . .
H5A2 H -0.0651 -0.0196 0.6199 0.026 Uiso 1 1 calc R U . . .
N1B N 0.523(4) 0.882(3) 0.285(3) 0.008(5) Uani 1 1 d . U . . .
N2B N 0.434(4) 0.794(3) 0.380(3) 0.013(6) Uani 1 1 d . U . . .
N3B N 0.425(4) 0.882(3) 0.489(3) 0.015(6) Uani 1 1 d . U . . .
N4B N 0.511(4) 1.035(3) 0.466(3) 0.017(6) Uani 1 1 d . U . . .
N5B N 0.683(4) 1.147(3) 0.283(3) 0.009(5) Uani 1 1 d . U . . .
H5B1 H 0.7051 1.2392 0.3242 0.011 Uiso 1 1 calc R U . . .
H5B2 H 0.7264 1.1327 0.2009 0.011 Uiso 1 1 calc R U . . .
N1C N 0.532(4) 0.429(3) 0.739(3) 0.007(5) Uani 1 1 d . U . . .
N2C N 0.481(4) 0.538(3) 0.666(3) 0.014(6) Uani 1 1 d . U . . .
N3C N 0.479(4) 0.648(3) 0.755(3) 0.008(5) Uani 1 1 d . U . . .
N4C N 0.530(4) 0.620(3) 0.897(3) 0.011(6) Uani 1 1 d . U . . .
N5C N 0.589(4) 0.400(3) 0.998(3) 0.020(7) Uani 1 1 d . U . . .
H5C1 H 0.5832 0.4365 1.0855 0.024 Uiso 1 1 calc R U . . .
H5C2 H 0.6110 0.3116 0.9837 0.024 Uiso 1 1 calc R U . . .
N6C N 0.345(5) 0.027(4) -0.070(4) 0.023(7) Uani 1 1 d . U . . .
N1D N 0.047(4) 0.682(3) 0.033(3) 0.012(5) Uani 1 1 d . U . . .
N2D N 0.105(4) 0.573(3) 0.111(3) 0.017(5) Uani 1 1 d . U . . .
N3D N 0.108(4) 0.461(3) 0.014(3) 0.013(4) Uani 1 1 d . U . . .
N4D N 0.055(4) 0.496(3) -0.118(3) 0.011(5) Uani 1 1 d . U . . .
N5D N -0.039(4) 0.703(3) -0.219(3) 0.012(6) Uani 1 1 d . U . . .
H5D1 H -0.0656 0.7904 -0.2089 0.014 Uiso 1 1 calc R U . . .
H5D2 H -0.0505 0.6564 -0.3051 0.014 Uiso 1 1 calc R U . . .
O1C O 0.323(4) 0.062(3) 0.058(3) 0.033(7) Uani 1 1 d . U . . .
O2C O 0.399(4) -0.081(3) -0.108(3) 0.025(6) Uani 1 1 d . U . . .
O3C O 0.279(4) 0.097(4) -0.169(3) 0.032(7) Uani 1 1 d . . . . .
N6A N 0.782(6) 0.549(4) 0.387(4) 0.024(6) Uani 0.50(4) 1 d D U P A 1
O1A O 0.641(7) 0.440(4) 0.334(6) 0.029(9) Uani 0.50(4) 1 d D U P A 1
O2A O 0.903(7) 0.536(5) 0.489(5) 0.026(8) Uani 0.50(4) 1 d D U P A 1
O3A O 0.802(7) 0.674(4) 0.338(5) 0.024(8) Uani 0.50(4) 1 d D U P A 1
N6Z N 0.798(6) 0.544(4) 0.395(4) 0.023(6) Uani 0.50(4) 1 d D U P A 2
O1Z O 0.664(7) 0.495(6) 0.291(4) 0.029(9) Uani 0.50(4) 1 d D U P A 2
O2Z O 0.807(8) 0.470(5) 0.500(5) 0.027(8) Uani 0.50(4) 1 d D U P A 2
O3Z O 0.922(7) 0.668(4) 0.394(5) 0.028(8) Uani 0.50(4) 1 d D U P A 2
N6B N 0.808(4) 1.060(2) 0.894(2) 0.010(3) Uani 0.87(3) 1 d D U P B 3
O1B O 0.845(4) 0.938(2) 0.930(2) 0.011(4) Uani 0.87(3) 1 d D U P B 3
O2B O 0.798(4) 1.087(2) 0.763(2) 0.010(3) Uani 0.87(3) 1 d D U P B 3
O3B O 0.780(4) 1.150(2) 0.990(2) 0.010(4) Uani 0.87(3) 1 d D U P B 3
N6Y N 0.786(14) 1.091(9) 0.927(9) 0.010(3) Uiso 0.13(3) 1 d D U P B 4
O1Y O 0.85(2) 1.141(14) 1.058(10) 0.010(4) Uiso 0.13(3) 1 d D U P B 4
O2Y O 0.80(3) 0.962(11) 0.882(14) 0.010(4) Uiso 0.13(3) 1 d D U P B 4
O3Y O 0.71(2) 1.169(13) 0.841(13) 0.010(3) Uiso 0.13(3) 1 d D U P B 4


_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 N2B 2.23(3) . ?
Ag1 N2A 2.25(3) . ?
Ag2 N3B 2.22(3) . ?
Ag2 N5D 2.40(3) 1_556 ?
Ag2 O2C 2.42(2) 1_566 ?
Ag2 N3C 2.58(3) . ?
Ag3 N4C 2.13(3) . ?
Ag3 N1B 2.17(3) 1_556 ?
Ag3 O2C 2.57(3) 1_566 ?
Ag3 Ag5 3.322(4) 1_666 ?
Ag4 N4B 2.15(3) . ?
Ag4 N1C 2.17(3) 1_565 ?
Ag4 O3Y 2.39(9) . ?
Ag5 N1D 2.15(3) 1_545 ?
Ag5 N4A 2.19(3) . ?
Ag5 Ag3 3.322(4) 1_444 ?
Ag6 N1A 2.11(3) . ?
Ag6 N4D 2.15(3) 1_556 ?
Ag7 N3D 2.19(3) . ?
Ag7 N3A 2.28(3) . ?
Ag7 O1C 2.29(3) . ?
Ag7 N5C 2.53(3) 1_554 ?
C1A N5A 1.30(4) . ?
C1A N4A 1.37(4) . ?
C1A N1A 1.38(4) . ?
C1B N4B 1.32(5) . ?
C1B N5B 1.33(4) . ?
C1B N1B 1.37(5) . ?
C1C N4C 1.30(4) . ?
C1C N1C 1.33(4) . ?
C1C N5C 1.47(4) . ?
C1D N1D 1.25(4) . ?
C1D N4D 1.39(5) . ?
C1D N5D 1.40(4) . ?
N1A N2A 1.35(4) . ?
N2A N3A 1.31(4) . ?
N3A N4A 1.29(4) . ?
N1B N2B 1.35(4) . ?
N1B Ag3 2.17(3) 1_554 ?
N2B N3B 1.29(4) . ?
N3B N4B 1.42(4) . ?
N1C N2C 1.35(4) . ?
N1C Ag4 2.17(3) 1_545 ?
N2C N3C 1.28(4) . ?
N3C N4C 1.39(3) . ?
N5C Ag7 2.53(3) 1_556 ?
N6C O2C 1.20(4) . ?
N6C O1C 1.27(4) . ?
N6C O3C 1.28(4) . ?
N1D N2D 1.39(4) . ?
N1D Ag5 2.15(3) 1_565 ?
N2D N3D 1.34(4) . ?
N3D N4D 1.34(4) . ?
N4D Ag6 2.15(3) 1_554 ?
N5D Ag2 2.40(3) 1_554 ?
O2C Ag2 2.42(2) 1_544 ?
O2C Ag3 2.57(3) 1_544 ?
N6A O1A 1.23(3) . ?
N6A O2A 1.23(3) . ?
N6A O3A 1.24(3) . ?
N6Z O2Z 1.23(3) . ?
N6Z O1Z 1.24(3) . ?
N6Z O3Z 1.24(3) . ?
N6B O2B 1.26(2) . ?
N6B O3B 1.27(2) . ?
N6B O1B 1.28(2) . ?
N6Y O3Y 1.27(2) . ?
N6Y O2Y 1.27(2) . ?
N6Y O1Y 1.27(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
N2B Ag1 N2A 176.1(10) . . ?
N3B Ag2 N5D 163.2(10) . 1_556 ?
N3B Ag2 O2C 110.7(9) . 1_566 ?
N5D Ag2 O2C 83.4(9) 1_556 1_566 ?
N3B Ag2 N3C 91.8(10) . . ?
N5D Ag2 N3C 101.4(9) 1_556 . ?
O2C Ag2 N3C 72.9(8) 1_566 . ?
N4C Ag3 N1B 166.9(10) . 1_556 ?
N4C Ag3 O2C 83.2(8) . 1_566 ?
N1B Ag3 O2C 103.8(9) 1_556 1_566 ?
N4C Ag3 Ag5 97.6(8) . 1_666 ?
N1B Ag3 Ag5 89.2(7) 1_556 1_666 ?
O2C Ag3 Ag5 117.1(6) 1_566 1_666 ?
N4B Ag4 N1C 165.7(10) . 1_565 ?
N4B Ag4 O3Y 107(3) . . ?
N1C Ag4 O3Y 87(3) 1_565 . ?
N1D Ag5 N4A 166.8(10) 1_545 . ?
N1D Ag5 Ag3 88.3(8) 1_545 1_444 ?
N4A Ag5 Ag3 104.2(7) . 1_444 ?
N1A Ag6 N4D 168.4(11) . 1_556 ?
N3D Ag7 N3A 111.7(10) . . ?
N3D Ag7 O1C 152.9(10) . . ?
N3A Ag7 O1C 80.9(10) . . ?
N3D Ag7 N5C 99.3(10) . 1_554 ?
N3A Ag7 N5C 134.1(9) . 1_554 ?
O1C Ag7 N5C 86.6(10) . 1_554 ?
N5A C1A N4A 126(3) . . ?
N5A C1A N1A 128(3) . . ?
N4A C1A N1A 106(3) . . ?
N4B C1B N5B 126(3) . . ?
N4B C1B N1B 108(3) . . ?
N5B C1B N1B 126(3) . . ?
N4C C1C N1C 117(3) . . ?
N4C C1C N5C 120(3) . . ?
N1C C1C N5C 122(3) . . ?
N1D C1D N4D 112(3) . . ?
N1D C1D N5D 131(3) . . ?
N4D C1D N5D 118(3) . . ?
N2A N1A C1A 105(3) . . ?
N2A N1A Ag6 123(2) . . ?
C1A N1A Ag6 132(2) . . ?
N3A N2A N1A 111(3) . . ?
N3A N2A Ag1 121(2) . . ?
N1A N2A Ag1 127(2) . . ?
N4A N3A N2A 108(3) . . ?
N4A N3A Ag7 133(2) . . ?
N2A N3A Ag7 119(2) . . ?
N3A N4A C1A 110(3) . . ?
N3A N4A Ag5 119(2) . . ?
C1A N4A Ag5 130(2) . . ?
N2B N1B C1B 109(3) . . ?
N2B N1B Ag3 117.7(19) . 1_554 ?
C1B N1B Ag3 133(2) . 1_554 ?
N3B N2B N1B 107(3) . . ?
N3B N2B Ag1 116(2) . . ?
N1B N2B Ag1 137(2) . . ?
N2B N3B N4B 110(3) . . ?
N2B N3B Ag2 121(2) . . ?
N4B N3B Ag2 127(2) . . ?
C1B N4B N3B 105(3) . . ?
C1B N4B Ag4 132(3) . . ?
N3B N4B Ag4 122(2) . . ?
C1C N1C N2C 102(3) . . ?
C1C N1C Ag4 137(2) . 1_545 ?
N2C N1C Ag4 120.3(19) . 1_545 ?
N3C N2C N1C 110(3) . . ?
N2C N3C N4C 111(2) . . ?
N2C N3C Ag2 112.7(19) . . ?
N4C N3C Ag2 129(2) . . ?
C1C N4C N3C 100(2) . . ?
C1C N4C Ag3 136(2) . . ?
N3C N4C Ag3 124(2) . . ?
C1C N5C Ag7 110(2) . 1_556 ?
O2C N6C O1C 125(3) . . ?
O2C N6C O3C 117(3) . . ?
O1C N6C O3C 117(3) . . ?
C1D N1D N2D 107(3) . . ?
C1D N1D Ag5 140(2) . 1_565 ?
N2D N1D Ag5 113(2) . 1_565 ?
N3D N2D N1D 107(3) . . ?
N4D N3D N2D 109(3) . . ?
N4D N3D Ag7 130(2) . . ?
N2D N3D Ag7 119(2) . . ?
N3D N4D C1D 105(3) . . ?
N3D N4D Ag6 120(2) . 1_554 ?
C1D N4D Ag6 135(2) . 1_554 ?
C1D N5D Ag2 110(2) . 1_554 ?
N6C O1C Ag7 112(2) . . ?
N6C O2C Ag2 114(2) . 1_544 ?
N6C O2C Ag3 120(2) . 1_544 ?
Ag2 O2C Ag3 120.7(9) 1_544 1_544 ?
O1A N6A O2A 121(2) . . ?
O1A N6A O3A 120(2) . . ?
O2A N6A O3A 119(2) . . ?
O2Z N6Z O1Z 120(2) . . ?
O2Z N6Z O3Z 120(2) . . ?
O1Z N6Z O3Z 120(2) . . ?
O2B N6B O3B 121.8(18) . . ?
O2B N6B O1B 119.8(17) . . ?
O3B N6B O1B 118.4(17) . . ?
O3Y N6Y O2Y 120(2) . . ?
O3Y N6Y O1Y 120(2) . . ?
O2Y N6Y O1Y 120(2) . . ?
N6Y O3Y Ag4 157(7) . . ?

_refine_diff_density_max         2.051
_refine_diff_density_min         -3.054
_refine_diff_density_rms         0.400

