# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# 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 1582668'

_audit_update_record             
;
2017-10-28 deposited with the CCDC.
2018-01-11 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H13 Ag N4 O4'
_chemical_formula_sum            'C14 H13 Ag N4 O4'
_chemical_formula_weight         409.15

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   6.7603(7)
_cell_length_b                   13.0051(7)
_cell_length_c                   16.5751(9)
_cell_angle_alpha                90
_cell_angle_beta                 97.889(7)
_cell_angle_gamma                90
_cell_volume                     1443.46(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    270(2)
_cell_measurement_reflns_used    2353
_cell_measurement_theta_min      2.4940
_cell_measurement_theta_max      27.3470

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_F_000             816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.062
_exptl_crystal_size_min          0.059
_exptl_absorpt_coefficient_mu    1.424
_shelx_estimated_absorpt_T_min   0.754
_shelx_estimated_absorpt_T_max   0.921
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      270(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4186
_diffrn_reflns_number            12186
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.998
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             2968
_reflns_number_gt                1918
_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-2017/1 (Sheldrick, 2017)'
_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)+(0.0741P)²+1.7491P] 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         2968
_refine_ls_number_parameters     209
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1019
_refine_ls_R_factor_gt           0.0625
_refine_ls_wR_factor_ref         0.1764
_refine_ls_wR_factor_gt          0.1508
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.079
_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
C2 C 0.5803(10) 0.7866(5) -0.1629(4) 0.0366(14) Uani 1 1 d . . . . .
C3 C 0.5278(10) 0.7423(5) -0.2386(4) 0.0472(17) Uani 1 1 d . . . . .
H3 H 0.503338 0.782923 -0.285065 0.057 Uiso 1 1 calc R U . . .
C4 C 0.5123(11) 0.6365(5) -0.2441(5) 0.0528(19) Uani 1 1 d . . . . .
H4 H 0.475645 0.605830 -0.294568 0.063 Uiso 1 1 calc R U . . .
C5 C 0.5496(11) 0.5775(5) -0.1770(5) 0.0551(19) Uani 1 1 d . . . . .
H5 H 0.539990 0.506207 -0.180339 0.066 Uiso 1 1 calc R U . . .
C6 C 0.6033(11) 0.6266(5) -0.1023(5) 0.0511(18) Uani 1 1 d . . . . .
H6 H 0.629394 0.586563 -0.055537 0.061 Uiso 1 1 calc R U . . .
C7 C 0.5929(10) 0.9005(4) -0.1520(4) 0.0378(15) Uani 1 1 d . . . . .
C8 C 0.7888(9) 1.0588(5) 0.0117(4) 0.0377(15) Uani 1 1 d . . . . .
C9 C 0.8287(10) 1.1702(5) 0.0253(4) 0.0405(15) Uani 1 1 d . . . . .
C10 C 0.8655(10) 1.2052(5) 0.1052(4) 0.0413(15) Uani 1 1 d . . . . .
H10 H 0.868939 1.158668 0.147936 0.050 Uiso 1 1 calc R U . . .
C11 C 0.8970(11) 1.3082(5) 0.1215(5) 0.0510(18) Uani 1 1 d . . . . .
H11 H 0.923696 1.331137 0.175016 0.061 Uiso 1 1 calc R U . . .
C12 C 0.8887(12) 1.3769(6) 0.0582(5) 0.059(2) Uani 1 1 d . . . . .
H12 H 0.901002 1.446932 0.069096 0.071 Uiso 1 1 calc R U . . .
C13 C 0.8627(12) 1.3434(6) -0.0201(5) 0.058(2) Uani 1 1 d . . . . .
H13 H 0.866149 1.390507 -0.062149 0.069 Uiso 1 1 calc R U . . .
C14 C 0.8313(11) 1.2403(5) -0.0385(4) 0.0461(17) Uani 1 1 d . . . . .
H14 H 0.812173 1.218113 -0.092336 0.055 Uiso 1 1 calc R U . . .
C15 C 0.5148(14) 0.9695(5) -0.2213(4) 0.064(2) Uani 1 1 d . . . . .
H15A H 0.426970 1.019724 -0.202939 0.097 Uiso 1 1 calc R U . . .
H15B H 0.442806 0.929290 -0.264259 0.097 Uiso 1 1 calc R U . . .
H15C H 0.624323 1.003613 -0.241172 0.097 Uiso 1 1 calc R U . . .
Ag1 Ag 0.76336(10) 0.80787(4) 0.02500(3) 0.0600(3) Uani 1 1 d . . . . .
N1 N 0.6187(8) 0.7282(4) -0.0952(3) 0.0418(13) Uani 1 1 d . . . . .
N2 N 0.6698(8) 0.9292(4) -0.0807(3) 0.0395(13) Uani 1 1 d . . . . .
N3 N 0.6923(8) 1.0317(4) -0.0631(3) 0.0389(13) Uani 1 1 d . . . . .
H3N H 0.646858 1.077711 -0.098054 0.047 Uiso 1 1 calc R U . . .
N4 N 0.5741(10) 0.7092(4) 0.1547(3) 0.0489(15) Uani 1 1 d . . . . .
O1 O 0.8404(7) 0.9956(3) 0.0648(3) 0.0473(12) Uani 1 1 d . . . . .
O2 O 0.5854(8) 0.8052(3) 0.1396(3) 0.0563(14) Uani 1 1 d . . . . .
O3 O 0.6734(9) 0.6494(4) 0.1179(3) 0.0653(15) Uani 1 1 d . . . . .
O4 O 0.4665(10) 0.6783(4) 0.2021(3) 0.0695(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
C2 N1 1.350(8) . ?
C2 C3 1.383(9) . ?
C2 C7 1.494(8) . ?
C3 C4 1.381(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.346(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.397(10) . ?
C5 H5 0.9300 . ?
C6 N1 1.329(9) . ?
C6 H6 0.9300 . ?
C7 N2 1.280(7) . ?
C7 C15 1.495(9) . ?
C8 O1 1.219(7) . ?
C8 N3 1.365(8) . ?
C8 C9 1.485(9) . ?
C9 C10 1.390(9) . ?
C9 C14 1.397(9) . ?
C10 C11 1.378(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.372(11) . ?
C11 H11 0.9300 . ?
C12 C13 1.358(11) . ?
C12 H12 0.9300 . ?
C13 C14 1.385(10) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
Ag1 N1 2.338(5) . ?
Ag1 N2 2.378(5) . ?
Ag1 O2 2.384(6) . ?
Ag1 O1 2.564(4) . ?
Ag1 O3 2.692(6) . ?
N2 N3 1.369(7) . ?
N3 H3N 0.8600 . ?
N4 O4 1.211(8) . ?
N4 O3 1.242(8) . ?
N4 O2 1.277(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
N1 C2 C3 121.0(6) . . ?
N1 C2 C7 117.2(5) . . ?
C3 C2 C7 121.8(6) . . ?
C4 C3 C2 118.8(6) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
C5 C4 C3 120.7(7) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 117.9(6) . . ?
C4 C5 H5 121.1 . . ?
C6 C5 H5 121.1 . . ?
N1 C6 C5 122.7(7) . . ?
N1 C6 H6 118.6 . . ?
C5 C6 H6 118.6 . . ?
N2 C7 C2 114.2(5) . . ?
N2 C7 C15 126.2(6) . . ?
C2 C7 C15 119.6(5) . . ?
O1 C8 N3 122.3(5) . . ?
O1 C8 C9 121.4(6) . . ?
N3 C8 C9 116.3(5) . . ?
C10 C9 C14 119.2(6) . . ?
C10 C9 C8 117.9(6) . . ?
C14 C9 C8 122.9(6) . . ?
C11 C10 C9 120.5(7) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C12 C11 C10 119.6(7) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C13 C12 C11 120.6(7) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C14 121.1(7) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 H13 119.5 . . ?
C13 C14 C9 118.9(6) . . ?
C13 C14 H14 120.6 . . ?
C9 C14 H14 120.6 . . ?
C7 C15 H15A 109.5 . . ?
C7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 Ag1 N2 68.18(17) . . ?
N1 Ag1 O2 118.35(19) . . ?
N2 Ag1 O2 118.97(18) . . ?
N1 Ag1 O1 133.45(16) . . ?
N2 Ag1 O1 65.27(15) . . ?
O2 Ag1 O1 85.17(15) . . ?
N1 Ag1 O3 92.69(18) . . ?
N2 Ag1 O3 150.62(18) . . ?
O2 Ag1 O3 49.84(16) . . ?
O1 Ag1 O3 129.51(16) . . ?
C6 N1 C2 118.8(6) . . ?
C6 N1 Ag1 122.3(4) . . ?
C2 N1 Ag1 118.0(4) . . ?
C7 N2 N3 120.0(5) . . ?
C7 N2 Ag1 121.4(4) . . ?
N3 N2 Ag1 118.6(4) . . ?
C8 N3 N2 118.1(5) . . ?
C8 N3 H3N 121.0 . . ?
N2 N3 H3N 121.0 . . ?
O4 N4 O3 121.6(6) . . ?
O4 N4 O2 120.6(7) . . ?
O3 N4 O2 117.8(7) . . ?
C8 O1 Ag1 115.4(4) . . ?
N4 O2 Ag1 102.7(4) . . ?
N4 O3 Ag1 88.9(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 C4 0.9(10) . . . . ?
C7 C2 C3 C4 -177.8(7) . . . . ?
C2 C3 C4 C5 -0.7(11) . . . . ?
C3 C4 C5 C6 0.3(12) . . . . ?
C4 C5 C6 N1 0.0(12) . . . . ?
N1 C2 C7 N2 10.5(9) . . . . ?
C3 C2 C7 N2 -170.7(6) . . . . ?
N1 C2 C7 C15 -168.3(7) . . . . ?
C3 C2 C7 C15 10.4(10) . . . . ?
O1 C8 C9 C10 -20.5(10) . . . . ?
N3 C8 C9 C10 159.6(6) . . . . ?
O1 C8 C9 C14 159.3(7) . . . . ?
N3 C8 C9 C14 -20.6(10) . . . . ?
C14 C9 C10 C11 2.3(11) . . . . ?
C8 C9 C10 C11 -177.8(7) . . . . ?
C9 C10 C11 C12 1.0(12) . . . . ?
C10 C11 C12 C13 -4.3(12) . . . . ?
C11 C12 C13 C14 4.2(13) . . . . ?
C12 C13 C14 C9 -0.7(12) . . . . ?
C10 C9 C14 C13 -2.5(11) . . . . ?
C8 C9 C14 C13 177.7(7) . . . . ?
C5 C6 N1 C2 0.2(10) . . . . ?
C5 C6 N1 Ag1 -168.6(5) . . . . ?
C3 C2 N1 C6 -0.7(10) . . . . ?
C7 C2 N1 C6 178.1(6) . . . . ?
C3 C2 N1 Ag1 168.7(5) . . . . ?
C7 C2 N1 Ag1 -12.6(8) . . . . ?
C2 C7 N2 N3 179.2(6) . . . . ?
C15 C7 N2 N3 -2.1(11) . . . . ?
C2 C7 N2 Ag1 -3.5(8) . . . . ?
C15 C7 N2 Ag1 175.2(6) . . . . ?
O1 C8 N3 N2 -6.0(10) . . . . ?
C9 C8 N3 N2 173.8(5) . . . . ?
C7 N2 N3 C8 -175.1(6) . . . . ?
Ag1 N2 N3 C8 7.5(7) . . . . ?
N3 C8 O1 Ag1 1.5(8) . . . . ?
C9 C8 O1 Ag1 -178.3(5) . . . . ?
O4 N4 O2 Ag1 -168.9(5) . . . . ?
O3 N4 O2 Ag1 9.6(6) . . . . ?
O4 N4 O3 Ag1 170.2(6) . . . . ?
O2 N4 O3 Ag1 -8.3(6) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N3 H3N O2 0.86 2.23 2.996(7) 148.8 3_675 yes

_refine_diff_density_max         1.562
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.134

####################################################################### 
# 
# 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_4a
_database_code_depnum_ccdc_archive 'CCDC 1582671'

_audit_update_record             
;
2017-10-28 deposited with the CCDC.
2018-01-11 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H14 Ag N5 O7'
_chemical_formula_sum            'C14 H14 Ag N5 O7'
_chemical_formula_weight         472.17

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'
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           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.2535(4)
_cell_length_b                   13.2543(7)
_cell_length_c                   17.9111(8)
_cell_angle_alpha                90
_cell_angle_beta                 99.214(4)
_cell_angle_gamma                90
_cell_volume                     1699.76(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    270(2)
_cell_measurement_reflns_used    3103
_cell_measurement_theta_min      2.7430
_cell_measurement_theta_max      25.4040

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_F_000             944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.356
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.065
_exptl_absorpt_coefficient_mu    1.237
_shelx_estimated_absorpt_T_min   0.667
_shelx_estimated_absorpt_T_max   0.924
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_T_max  0.929
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Analytical numeric absorption correction using a multifaceted crystal
 model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      270(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4186
_diffrn_reflns_number            13375
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.920
_diffrn_reflns_theta_max         29.542
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.883
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.883
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4195
_reflns_number_gt                2841
_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-2017/1 (Sheldrick, 2017)'
_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)+(0.0632P)²+4.1119P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4195
_refine_ls_number_parameters     251
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0623
_refine_ls_wR_factor_ref         0.1617
_refine_ls_wR_factor_gt          0.1419
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.022
_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
C2 C 0.6792(6) 0.2827(3) -0.1218(3) 0.0414(10) Uani 1 1 d . . . . .
C3 C 0.6979(6) 0.2416(4) -0.1907(3) 0.0499(11) Uani 1 1 d . . . . .
H3 H 0.721118 0.283245 -0.229901 0.060 Uiso 1 1 calc R U . . .
C4 C 0.6822(7) 0.1391(4) -0.2016(3) 0.0609(14) Uani 1 1 d . . . . .
H4 H 0.694823 0.110809 -0.247971 0.073 Uiso 1 1 calc R U . . .
C5 C 0.6476(8) 0.0793(4) -0.1428(4) 0.0671(16) Uani 1 1 d . . . . .
H5 H 0.634844 0.009758 -0.148562 0.081 Uiso 1 1 calc R U . . .
C6 C 0.6322(7) 0.1257(4) -0.0742(3) 0.0599(14) Uani 1 1 d . . . . .
H6 H 0.608955 0.085559 -0.034126 0.072 Uiso 1 1 calc R U . . .
C7 C 0.6949(6) 0.3935(4) -0.1078(2) 0.0432(10) Uani 1 1 d . . . . .
C8 C 0.7823(7) 0.5466(4) 0.0537(3) 0.0492(11) Uani 1 1 d . . . . .
C9 C 0.8094(6) 0.6560(4) 0.0705(2) 0.0419(10) Uani 1 1 d . . . . .
C10 C 0.7886(7) 0.6894(4) 0.1426(3) 0.0480(11) Uani 1 1 d . . . . .
H10 H 0.760576 0.643396 0.178372 0.058 Uiso 1 1 calc R U . . .
C11 C 0.8094(7) 0.7899(4) 0.1609(3) 0.0493(12) Uani 1 1 d . . . . .
H11 H 0.794422 0.812855 0.208666 0.059 Uiso 1 1 calc R U . . .
C12 C 0.8526(6) 0.8552(4) 0.1073(3) 0.0456(11) Uani 1 1 d . . . . .
C13 C 0.8787(6) 0.8251(4) 0.0363(3) 0.0455(11) Uani 1 1 d . . . . .
H13 H 0.909913 0.871612 0.001484 0.055 Uiso 1 1 calc R U . . .
C14 C 0.8576(6) 0.7248(4) 0.0179(3) 0.0462(11) Uani 1 1 d . . . . .
H14 H 0.875383 0.702641 -0.029721 0.055 Uiso 1 1 calc R U . . .
C15 C 0.6756(10) 0.4644(4) -0.1732(3) 0.0710(17) Uani 1 1 d . . . . .
H15A H 0.587762 0.516429 -0.166313 0.106 Uiso 1 1 calc R U . . .
H15B H 0.631793 0.428158 -0.218992 0.106 Uiso 1 1 calc R U . . .
H15C H 0.794687 0.494199 -0.176301 0.106 Uiso 1 1 calc R U . . .
N1 N 0.6492(6) 0.2247(3) -0.0634(2) 0.0495(10) Uani 1 1 d . . . . .
N2 N 0.7246(5) 0.4205(3) -0.0383(2) 0.0441(9) Uani 1 1 d . . . . .
N3 N 0.7429(5) 0.5208(3) -0.0205(2) 0.0465(9) Uani 1 1 d . . . . .
H3N H 0.729923 0.566116 -0.055337 0.056 Uiso 1 1 calc R U . . .
N4 N 0.4142(6) 0.2139(4) 0.1427(2) 0.0512(10) Uani 1 1 d . . . . .
N5 N 0.8776(6) 0.9637(4) 0.1262(3) 0.0585(11) Uani 1 1 d . . . . .
O1 O 0.7971(8) 0.4846(3) 0.1045(2) 0.0827(14) Uani 1 1 d . . . . .
O2 O 0.4289(6) 0.3057(3) 0.1277(2) 0.0716(11) Uani 1 1 d . . . . .
O3 O 0.5239(6) 0.1555(3) 0.1215(3) 0.0758(12) Uani 1 1 d . . . . .
O4 O 0.2941(6) 0.1815(4) 0.1775(3) 0.0870(14) Uani 1 1 d . . . . .
O5 O 0.8871(7) 1.0231(3) 0.0756(3) 0.0801(12) Uani 1 1 d . . . . .
O6 O 0.8891(7) 0.9886(4) 0.1914(3) 0.0872(14) Uani 1 1 d . . . . .
Ag1 Ag 0.69971(7) 0.30117(4) 0.05825(2) 0.0713(2) Uani 1 1 d . . . . .
O1W O 0.9190(6) 0.2324(4) 0.1566(3) 0.0794(13) Uani 1 1 d D . . . .
H1W H 1.032(2) 0.236(6) 0.158(5) 0.119 Uiso 1 1 d D U . . .
H2W H 0.889(11) 0.173(2) 0.160(5) 0.119 Uiso 1 1 d D U . . .


_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
C2 N1 1.342(6) . ?
C2 C3 1.375(7) . ?
C2 C7 1.491(7) . ?
C3 C4 1.375(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.395(9) . ?
C5 H5 0.9300 . ?
C6 N1 1.330(7) . ?
C6 H6 0.9300 . ?
C7 N2 1.278(6) . ?
C7 C15 1.491(7) . ?
C8 O1 1.217(6) . ?
C8 N3 1.359(6) . ?
C8 C9 1.488(7) . ?
C9 C14 1.395(7) . ?
C9 C10 1.396(6) . ?
C10 C11 1.375(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.367(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.375(7) . ?
C12 N5 1.482(7) . ?
C13 C14 1.372(7) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
N1 Ag1 2.378(4) . ?
N2 N3 1.369(6) . ?
N2 Ag1 2.372(4) . ?
N3 H3N 0.8600 . ?
N4 O3 1.214(6) . ?
N4 O4 1.226(6) . ?
N4 O2 1.254(6) . ?
N5 O6 1.204(6) . ?
N5 O5 1.210(6) . ?
O1 Ag1 2.629(4) . ?
O2 Ag1 2.488(5) . ?
O3 Ag1 2.665(4) . ?
Ag1 O1W 2.359(4) . ?
O1W H1W 0.820(10) . ?
O1W H2W 0.818(10) . ?

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 C2 C3 121.6(4) . . ?
N1 C2 C7 116.8(4) . . ?
C3 C2 C7 121.6(4) . . ?
C4 C3 C2 120.1(5) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 118.9(5) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 118.1(5) . . ?
C4 C5 H5 121.0 . . ?
C6 C5 H5 121.0 . . ?
N1 C6 C5 123.0(5) . . ?
N1 C6 H6 118.5 . . ?
C5 C6 H6 118.5 . . ?
N2 C7 C15 124.6(5) . . ?
N2 C7 C2 115.8(4) . . ?
C15 C7 C2 119.6(4) . . ?
O1 C8 N3 122.8(5) . . ?
O1 C8 C9 120.9(4) . . ?
N3 C8 C9 116.3(4) . . ?
C14 C9 C10 119.6(5) . . ?
C14 C9 C8 122.7(4) . . ?
C10 C9 C8 117.7(4) . . ?
C11 C10 C9 120.3(4) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 C10 118.4(4) . . ?
C12 C11 H11 120.8 . . ?
C10 C11 H11 120.8 . . ?
C11 C12 C13 123.2(5) . . ?
C11 C12 N5 119.2(4) . . ?
C13 C12 N5 117.6(5) . . ?
C14 C13 C12 118.5(5) . . ?
C14 C13 H13 120.8 . . ?
C12 C13 H13 120.8 . . ?
C13 C14 C9 120.1(4) . . ?
C13 C14 H14 120.0 . . ?
C9 C14 H14 120.0 . . ?
C7 C15 H15A 109.5 . . ?
C7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6 N1 C2 118.4(5) . . ?
C6 N1 Ag1 123.4(4) . . ?
C2 N1 Ag1 116.7(3) . . ?
C7 N2 N3 119.5(4) . . ?
C7 N2 Ag1 120.2(3) . . ?
N3 N2 Ag1 119.6(3) . . ?
C8 N3 N2 118.0(4) . . ?
C8 N3 H3N 121.0 . . ?
N2 N3 H3N 121.0 . . ?
O3 N4 O4 119.4(5) . . ?
O3 N4 O2 117.9(5) . . ?
O4 N4 O2 122.7(5) . . ?
O6 N5 O5 123.0(5) . . ?
O6 N5 C12 118.4(5) . . ?
O5 N5 C12 118.7(5) . . ?
C8 O1 Ag1 113.7(3) . . ?
N4 O2 Ag1 100.7(3) . . ?
N4 O3 Ag1 93.1(3) . . ?
O1W Ag1 N2 132.93(15) . . ?
O1W Ag1 N1 120.40(16) . . ?
N2 Ag1 N1 68.52(13) . . ?
O1W Ag1 O2 97.37(15) . . ?
N2 Ag1 O2 120.45(13) . . ?
N1 Ag1 O2 116.77(14) . . ?
O1W Ag1 O1 90.40(16) . . ?
N2 Ag1 O1 64.23(12) . . ?
N1 Ag1 O1 132.60(13) . . ?
O2 Ag1 O1 90.81(15) . . ?
O1W Ag1 O3 73.39(16) . . ?
N2 Ag1 O3 152.95(14) . . ?
N1 Ag1 O3 93.85(14) . . ?
O2 Ag1 O3 48.33(13) . . ?
O1 Ag1 O3 131.23(14) . . ?
Ag1 O1W H1W 124(6) . . ?
Ag1 O1W H2W 106(6) . . ?
H1W O1W H2W 109(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 C4 1.3(7) . . . . ?
C7 C2 C3 C4 -179.9(4) . . . . ?
C2 C3 C4 C5 0.1(7) . . . . ?
C3 C4 C5 C6 -0.8(8) . . . . ?
C4 C5 C6 N1 0.1(8) . . . . ?
N1 C2 C7 N2 16.7(6) . . . . ?
C3 C2 C7 N2 -162.2(4) . . . . ?
N1 C2 C7 C15 -163.3(5) . . . . ?
C3 C2 C7 C15 17.9(7) . . . . ?
O1 C8 C9 C14 157.3(5) . . . . ?
N3 C8 C9 C14 -21.9(7) . . . . ?
O1 C8 C9 C10 -21.4(7) . . . . ?
N3 C8 C9 C10 159.3(4) . . . . ?
C14 C9 C10 C11 2.1(7) . . . . ?
C8 C9 C10 C11 -179.1(4) . . . . ?
C9 C10 C11 C12 -0.7(7) . . . . ?
C10 C11 C12 C13 -0.9(7) . . . . ?
C10 C11 C12 N5 -179.4(4) . . . . ?
C11 C12 C13 C14 1.0(7) . . . . ?
N5 C12 C13 C14 179.5(4) . . . . ?
C12 C13 C14 C9 0.5(7) . . . . ?
C10 C9 C14 C13 -2.0(7) . . . . ?
C8 C9 C14 C13 179.3(4) . . . . ?
C5 C6 N1 C2 1.3(7) . . . . ?
C5 C6 N1 Ag1 -164.1(4) . . . . ?
C3 C2 N1 C6 -2.0(7) . . . . ?
C7 C2 N1 C6 179.2(4) . . . . ?
C3 C2 N1 Ag1 164.4(3) . . . . ?
C7 C2 N1 Ag1 -14.5(5) . . . . ?
C15 C7 N2 N3 -0.8(7) . . . . ?
C2 C7 N2 N3 179.3(4) . . . . ?
C15 C7 N2 Ag1 169.4(4) . . . . ?
C2 C7 N2 Ag1 -10.5(5) . . . . ?
O1 C8 N3 N2 -1.8(8) . . . . ?
C9 C8 N3 N2 177.4(4) . . . . ?
C7 N2 N3 C8 -177.2(4) . . . . ?
Ag1 N2 N3 C8 12.5(5) . . . . ?
C11 C12 N5 O6 11.9(7) . . . . ?
C13 C12 N5 O6 -166.7(5) . . . . ?
C11 C12 N5 O5 -168.7(5) . . . . ?
C13 C12 N5 O5 12.7(7) . . . . ?
N3 C8 O1 Ag1 -8.2(7) . . . . ?
C9 C8 O1 Ag1 172.6(4) . . . . ?
O3 N4 O2 Ag1 0.0(5) . . . . ?
O4 N4 O2 Ag1 -179.8(4) . . . . ?
O4 N4 O3 Ag1 179.8(4) . . . . ?
O2 N4 O3 Ag1 0.0(4) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N3 H3N O2 0.86 2.33 3.124(6) 154.3 3_665 yes
O1W H1W O4 0.820(10) 2.01(4) 2.770(6) 154(8) 1_655 yes
O1W H2W O5 0.818(10) 2.50(7) 3.122(7) 134(8) 1_545 yes
O1W H2W O6 0.818(10) 2.51(3) 3.305(7) 164(8) 1_545 yes

_refine_diff_density_max         2.549
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.095

####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 1582669'

_audit_update_record             
;
2017-10-28 deposited with the CCDC.
2018-01-11 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H30 Ag N6 O2 +, N O3 -'
_chemical_formula_sum            'C30 H30 Ag N7 O5'
_chemical_formula_weight         676.48

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           2
_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'
'-x, -y, -z'

_cell_length_a                   8.4416(6)
_cell_length_b                   12.9864(5)
_cell_length_c                   14.7636(6)
_cell_angle_alpha                112.115(4)
_cell_angle_beta                 99.194(4)
_cell_angle_gamma                95.337(4)
_cell_volume                     1459.23(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    270(2)
_cell_measurement_reflns_used    5532
_cell_measurement_theta_min      2.6230
_cell_measurement_theta_max      30.4800

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_F_000             692
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.386
_exptl_crystal_size_mid          0.189
_exptl_crystal_size_min          0.081
_exptl_absorpt_coefficient_mu    0.743
_shelx_estimated_absorpt_T_min   0.762
_shelx_estimated_absorpt_T_max   0.942
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_process_details   
;  
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Analytical numeric absorption correction using a multifaceted crystal
 model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      270(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4186
_diffrn_reflns_number            12718
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.479
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5972
_reflns_number_gt                5032
_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-2017/1 (Sheldrick, 2017)'
_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)+(0.0280P)²+0.3662P] 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         5972
_refine_ls_number_parameters     420
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0293
_refine_ls_wR_factor_ref         0.0708
_refine_ls_wR_factor_gt          0.0655
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_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
C2 C 0.5916(3) 0.44310(19) 0.36273(16) 0.0405(5) Uani 1 1 d . . . . .
C3 C 0.6791(3) 0.5048(2) 0.45984(19) 0.0597(7) Uani 1 1 d . . . . .
H3 H 0.715312 0.581756 0.481700 0.072 Uiso 1 1 calc R U . . .
C4 C 0.7118(4) 0.4508(3) 0.5233(2) 0.0756(10) Uani 1 1 d . . . . .
H4 H 0.769655 0.491173 0.588676 0.091 Uiso 1 1 calc R U . . .
C5 C 0.6586(4) 0.3377(3) 0.4898(2) 0.0714(9) Uani 1 1 d . . . . .
H5 H 0.677147 0.300102 0.532036 0.086 Uiso 1 1 calc R U . . .
C6 C 0.5768(3) 0.2806(3) 0.3918(2) 0.0563(7) Uani 1 1 d . . . . .
H6 H 0.543263 0.203181 0.368516 0.068 Uiso 1 1 calc R U . . .
C7 C 0.5439(3) 0.49901(17) 0.29318(17) 0.0388(5) Uani 1 1 d . . . . .
C8 C 0.2731(3) 0.41739(17) 0.06209(17) 0.0394(5) Uani 1 1 d . . . . .
C9 C 0.2252(3) 0.46653(16) -0.01256(15) 0.0349(5) Uani 1 1 d . . . . .
C10 C 0.0869(3) 0.41040(18) -0.08705(17) 0.0427(5) Uani 1 1 d . . . . .
H10 H 0.028257 0.345587 -0.088038 0.051 Uiso 1 1 calc R U . . .
C11 C 0.0358(3) 0.45001(19) -0.15959(17) 0.0447(6) Uani 1 1 d . . . . .
H11 H -0.057407 0.411745 -0.208625 0.054 Uiso 1 1 calc R U . . .
C12 C 0.1213(3) 0.54580(18) -0.16047(16) 0.0419(5) Uani 1 1 d . . . . .
C13 C 0.2604(3) 0.60059(19) -0.08719(18) 0.0444(6) Uani 1 1 d . . . . .
H13 H 0.319795 0.664596 -0.087211 0.053 Uiso 1 1 calc R U . . .
C14 C 0.3131(3) 0.56188(17) -0.01367(17) 0.0402(5) Uani 1 1 d . . . . .
H14 H 0.407100 0.599726 0.034821 0.048 Uiso 1 1 calc R U . . .
C15 C 0.6290(4) 0.61456(19) 0.3155(2) 0.0615(8) Uani 1 1 d . . . . .
H15A H 0.626891 0.624570 0.254188 0.092 Uiso 1 1 calc R U . . .
H15B H 0.739825 0.623901 0.349137 0.092 Uiso 1 1 calc R U . . .
H15C H 0.574943 0.669532 0.357676 0.092 Uiso 1 1 calc R U . . .
C16 C 0.2459(3) -0.00694(16) -0.00081(15) 0.0316(4) Uani 1 1 d . . . . .
C17 C 0.1975(3) -0.09270(19) -0.09540(17) 0.0454(6) Uani 1 1 d . . . . .
H17 H 0.127200 -0.157396 -0.105481 0.054 Uiso 1 1 calc R U . . .
C18 C 0.2538(3) -0.0819(2) -0.17440(18) 0.0533(7) Uani 1 1 d . . . . .
H18 H 0.223105 -0.139364 -0.238020 0.064 Uiso 1 1 calc R U . . .
C19 C 0.3559(3) 0.0151(2) -0.15798(18) 0.0501(6) Uani 1 1 d . . . . .
H19 H 0.397660 0.024145 -0.209608 0.060 Uiso 1 1 calc R U . . .
C20 C 0.3945(3) 0.0983(2) -0.06279(17) 0.0442(6) Uani 1 1 d . . . . .
H20 H 0.459765 0.165257 -0.052298 0.053 Uiso 1 1 calc R U . . .
C21 C 0.1947(3) -0.01675(16) 0.08783(15) 0.0329(5) Uani 1 1 d . . . . .
C22 C 0.1583(3) 0.16309(17) 0.32537(15) 0.0350(5) Uani 1 1 d . . . . .
C23 C 0.1444(3) 0.15270(16) 0.42139(15) 0.0337(5) Uani 1 1 d . . . . .
C24 C 0.0273(3) 0.20317(18) 0.47057(16) 0.0403(5) Uani 1 1 d . . . . .
H24 H -0.039394 0.242109 0.443524 0.048 Uiso 1 1 calc R U . . .
C25 C 0.0091(3) 0.19592(19) 0.55949(17) 0.0427(5) Uani 1 1 d . . . . .
H25 H -0.071592 0.228576 0.590898 0.051 Uiso 1 1 calc R U . . .
C26 C 0.1091(3) 0.14079(17) 0.60230(16) 0.0382(5) Uani 1 1 d . . . . .
C27 C 0.2268(3) 0.09159(18) 0.55391(17) 0.0422(5) Uani 1 1 d . . . . .
H27 H 0.295923 0.055170 0.582505 0.051 Uiso 1 1 calc R U . . .
C28 C 0.2437(3) 0.09565(18) 0.46320(17) 0.0407(5) Uani 1 1 d . . . . .
H28 H 0.321340 0.060188 0.430506 0.049 Uiso 1 1 calc R U . . .
C29 C 0.1151(4) -0.12897(18) 0.07990(19) 0.0522(6) Uani 1 1 d . . . . .
H29A H 0.060348 -0.118067 0.134231 0.078 Uiso 1 1 calc R U . . .
H29B H 0.196348 -0.175280 0.082876 0.078 Uiso 1 1 calc R U . . .
H29C H 0.037526 -0.165321 0.017540 0.078 Uiso 1 1 calc R U . . .
C30 C 0.0635(4) 0.5880(2) -0.24041(19) 0.0610(8) Uani 1 1 d . . . . .
H30A H 0.035984 0.525824 -0.304561 0.091 Uiso 1 1 calc R U . . .
H30B H 0.148574 0.642424 -0.240467 0.091 Uiso 1 1 calc R U . . .
H30C H -0.030640 0.622455 -0.226991 0.091 Uiso 1 1 calc R U . . .
C31 C 0.0921(4) 0.1373(2) 0.70142(18) 0.0539(7) Uani 1 1 d . . . . .
H31A H 0.100847 0.063208 0.699154 0.081 Uiso 1 1 calc R U . . .
H31B H -0.012081 0.154979 0.714442 0.081 Uiso 1 1 calc R U . . .
H31C H 0.176712 0.191405 0.753665 0.081 Uiso 1 1 calc R U . . .
N1 N 0.5431(2) 0.33112(16) 0.32810(14) 0.0431(5) Uani 1 1 d . . . . .
N2 N 0.4298(2) 0.44074(14) 0.21694(13) 0.0356(4) Uani 1 1 d . . . . .
N3 N 0.3775(2) 0.48675(14) 0.14961(13) 0.0377(4) Uani 1 1 d . . . . .
H3N H 0.409289 0.556502 0.162136 0.045 Uiso 1 1 calc R U . . .
N4 N 0.3442(2) 0.08897(14) 0.01529(13) 0.0354(4) Uani 1 1 d . . . . .
N5 N 0.2206(2) 0.07499(13) 0.16642(12) 0.0335(4) Uani 1 1 d . . . . .
N6 N 0.1873(2) 0.06858(14) 0.25325(13) 0.0380(4) Uani 1 1 d . . . . .
H6N H 0.184940 0.006327 0.261412 0.046 Uiso 1 1 calc R U . . .
N7 N 0.3743(3) -0.19929(17) 0.26384(17) 0.0525(6) Uani 1 1 d D . . . .
O1 O 0.2237(2) 0.31922(13) 0.04472(13) 0.0624(5) Uani 1 1 d . . . . .
O11 O 0.1373(2) 0.24767(12) 0.31077(12) 0.0507(5) Uani 1 1 d . . . . .
Ag1 Ag 0.36272(3) 0.24181(2) 0.16974(2) 0.04665(7) Uani 1 1 d . . . . .
O2A O 0.390(2) -0.0966(5) 0.2824(11) 0.054(2) Uani 0.50(3) 1 d D . P A 1
O3A O 0.3251(17) -0.2361(11) 0.3217(11) 0.084(3) Uani 0.50(3) 1 d D . P A 1
O4A O 0.415(3) -0.2634(9) 0.1882(7) 0.079(3) Uani 0.50(3) 1 d D . P A 1
O2B O 0.360(2) -0.0985(6) 0.2929(13) 0.088(4) Uani 0.50(3) 1 d D . P A 2
O3B O 0.2944(16) -0.2648(12) 0.2880(16) 0.120(4) Uani 0.50(3) 1 d D . P A 2
O4B O 0.4715(17) -0.2344(14) 0.2080(10) 0.080(3) Uani 0.50(3) 1 d D . 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
C2 N1 1.344(3) . ?
C2 C3 1.389(3) . ?
C2 C7 1.492(3) . ?
C3 C4 1.376(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.377(4) . ?
C5 H5 0.9300 . ?
C6 N1 1.346(3) . ?
C6 H6 0.9300 . ?
C7 N2 1.282(3) . ?
C7 C15 1.492(3) . ?
C8 O1 1.219(3) . ?
C8 N3 1.367(3) . ?
C8 C9 1.490(3) . ?
C9 C14 1.390(3) . ?
C9 C10 1.390(3) . ?
C10 C11 1.381(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.384(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.384(3) . ?
C12 C30 1.511(3) . ?
C13 C14 1.388(3) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 N4 1.349(3) . ?
C16 C17 1.385(3) . ?
C16 C21 1.487(3) . ?
C17 C18 1.376(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.374(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.376(3) . ?
C19 H19 0.9300 . ?
C20 N4 1.333(3) . ?
C20 H20 0.9300 . ?
C21 N5 1.282(3) . ?
C21 C29 1.501(3) . ?
C22 O11 1.219(2) . ?
C22 N6 1.362(3) . ?
C22 C23 1.495(3) . ?
C23 C28 1.388(3) . ?
C23 C24 1.388(3) . ?
C24 C25 1.382(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.381(3) . ?
C25 H25 0.9300 . ?
C26 C27 1.381(3) . ?
C26 C31 1.510(3) . ?
C27 C28 1.389(3) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
N1 Ag1 2.3709(19) . ?
N2 N3 1.377(2) . ?
N2 Ag1 2.3930(16) . ?
N3 H3N 0.8600 . ?
N4 Ag1 2.3631(17) . ?
N5 N6 1.386(2) . ?
N5 Ag1 2.3565(17) . ?
N6 H6N 0.8600 . ?
N7 O3B 1.225(6) . ?
N7 O3A 1.231(5) . ?
N7 O4A 1.238(6) . ?
N7 O2B 1.240(6) . ?
N7 O2A 1.246(5) . ?
N7 O4B 1.251(6) . ?
O1 Ag1 2.5923(16) . ?

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 C2 C3 121.6(2) . . ?
N1 C2 C7 117.14(19) . . ?
C3 C2 C7 121.3(2) . . ?
C4 C3 C2 119.3(3) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 118.4(3) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
N1 C6 C5 123.3(3) . . ?
N1 C6 H6 118.3 . . ?
C5 C6 H6 118.3 . . ?
N2 C7 C2 115.23(19) . . ?
N2 C7 C15 125.2(2) . . ?
C2 C7 C15 119.5(2) . . ?
O1 C8 N3 121.82(19) . . ?
O1 C8 C9 121.3(2) . . ?
N3 C8 C9 116.90(18) . . ?
C14 C9 C10 118.8(2) . . ?
C14 C9 C8 124.0(2) . . ?
C10 C9 C8 117.2(2) . . ?
C11 C10 C9 120.6(2) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 121.0(2) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C13 C12 C11 118.3(2) . . ?
C13 C12 C30 121.4(2) . . ?
C11 C12 C30 120.3(2) . . ?
C12 C13 C14 121.3(2) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C9 120.0(2) . . ?
C13 C14 H14 120.0 . . ?
C9 C14 H14 120.0 . . ?
C7 C15 H15A 109.5 . . ?
C7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N4 C16 C17 121.3(2) . . ?
N4 C16 C21 116.85(17) . . ?
C17 C16 C21 121.88(19) . . ?
C18 C17 C16 119.8(2) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C19 C18 C17 119.1(2) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C18 C19 C20 118.0(2) . . ?
C18 C19 H19 121.0 . . ?
C20 C19 H19 121.0 . . ?
N4 C20 C19 124.0(2) . . ?
N4 C20 H20 118.0 . . ?
C19 C20 H20 118.0 . . ?
N5 C21 C16 115.68(18) . . ?
N5 C21 C29 124.8(2) . . ?
C16 C21 C29 119.56(18) . . ?
O11 C22 N6 122.33(19) . . ?
O11 C22 C23 122.68(18) . . ?
N6 C22 C23 114.89(17) . . ?
C28 C23 C24 119.0(2) . . ?
C28 C23 C22 122.9(2) . . ?
C24 C23 C22 118.05(18) . . ?
C25 C24 C23 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C26 C25 C24 120.8(2) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C25 C26 C27 118.7(2) . . ?
C25 C26 C31 120.3(2) . . ?
C27 C26 C31 120.9(2) . . ?
C26 C27 C28 121.0(2) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C23 C28 C27 119.9(2) . . ?
C23 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C21 C29 H29A 109.5 . . ?
C21 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C21 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C12 C30 H30A 109.5 . . ?
C12 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C12 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C2 N1 C6 117.8(2) . . ?
C2 N1 Ag1 117.57(14) . . ?
C6 N1 Ag1 123.61(18) . . ?
C7 N2 N3 118.86(18) . . ?
C7 N2 Ag1 119.50(13) . . ?
N3 N2 Ag1 119.54(12) . . ?
C8 N3 N2 117.51(16) . . ?
C8 N3 H3N 121.2 . . ?
N2 N3 H3N 121.2 . . ?
C20 N4 C16 117.79(19) . . ?
C20 N4 Ag1 124.19(14) . . ?
C16 N4 Ag1 116.41(14) . . ?
C21 N5 N6 117.80(17) . . ?
C21 N5 Ag1 120.44(14) . . ?
N6 N5 Ag1 120.89(12) . . ?
C22 N6 N5 118.50(16) . . ?
C22 N6 H6N 120.7 . . ?
N5 N6 H6N 120.7 . . ?
O3A N7 O4A 120.3(5) . . ?
O3B N7 O2B 121.4(6) . . ?
O3A N7 O2A 120.5(5) . . ?
O4A N7 O2A 119.1(5) . . ?
O3B N7 O4B 119.8(5) . . ?
O2B N7 O4B 118.8(5) . . ?
C8 O1 Ag1 115.86(14) . . ?
N5 Ag1 N4 68.82(6) . . ?
N5 Ag1 N1 106.96(6) . . ?
N4 Ag1 N1 138.84(6) . . ?
N5 Ag1 N2 156.05(6) . . ?
N4 Ag1 N2 130.88(6) . . ?
N1 Ag1 N2 68.26(6) . . ?
N5 Ag1 O1 115.74(6) . . ?
N4 Ag1 O1 78.65(6) . . ?
N1 Ag1 O1 132.39(6) . . ?
N2 Ag1 O1 64.15(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 C4 -2.5(4) . . . . ?
C7 C2 C3 C4 176.0(3) . . . . ?
C2 C3 C4 C5 0.4(5) . . . . ?
C3 C4 C5 C6 1.6(5) . . . . ?
C4 C5 C6 N1 -1.7(5) . . . . ?
N1 C2 C7 N2 16.2(3) . . . . ?
C3 C2 C7 N2 -162.4(2) . . . . ?
N1 C2 C7 C15 -163.6(2) . . . . ?
C3 C2 C7 C15 17.8(4) . . . . ?
O1 C8 C9 C14 -158.3(2) . . . . ?
N3 C8 C9 C14 20.3(3) . . . . ?
O1 C8 C9 C10 19.6(3) . . . . ?
N3 C8 C9 C10 -161.9(2) . . . . ?
C14 C9 C10 C11 -1.3(3) . . . . ?
C8 C9 C10 C11 -179.3(2) . . . . ?
C9 C10 C11 C12 0.5(4) . . . . ?
C10 C11 C12 C13 0.6(3) . . . . ?
C10 C11 C12 C30 -180.0(2) . . . . ?
C11 C12 C13 C14 -0.7(3) . . . . ?
C30 C12 C13 C14 179.8(2) . . . . ?
C12 C13 C14 C9 -0.2(4) . . . . ?
C10 C9 C14 C13 1.2(3) . . . . ?
C8 C9 C14 C13 179.0(2) . . . . ?
N4 C16 C17 C18 1.8(3) . . . . ?
C21 C16 C17 C18 -177.1(2) . . . . ?
C16 C17 C18 C19 -0.8(4) . . . . ?
C17 C18 C19 C20 -1.3(4) . . . . ?
C18 C19 C20 N4 2.8(4) . . . . ?
N4 C16 C21 N5 13.9(3) . . . . ?
C17 C16 C21 N5 -167.1(2) . . . . ?
N4 C16 C21 C29 -167.4(2) . . . . ?
C17 C16 C21 C29 11.6(3) . . . . ?
O11 C22 C23 C28 -143.9(2) . . . . ?
N6 C22 C23 C28 39.6(3) . . . . ?
O11 C22 C23 C24 35.8(3) . . . . ?
N6 C22 C23 C24 -140.7(2) . . . . ?
C28 C23 C24 C25 -0.5(3) . . . . ?
C22 C23 C24 C25 179.9(2) . . . . ?
C23 C24 C25 C26 1.5(4) . . . . ?
C24 C25 C26 C27 -0.8(3) . . . . ?
C24 C25 C26 C31 177.7(2) . . . . ?
C25 C26 C27 C28 -0.9(3) . . . . ?
C31 C26 C27 C28 -179.4(2) . . . . ?
C24 C23 C28 C27 -1.2(3) . . . . ?
C22 C23 C28 C27 178.4(2) . . . . ?
C26 C27 C28 C23 1.9(4) . . . . ?
C3 C2 N1 C6 2.4(4) . . . . ?
C7 C2 N1 C6 -176.2(2) . . . . ?
C3 C2 N1 Ag1 171.29(19) . . . . ?
C7 C2 N1 Ag1 -7.2(3) . . . . ?
C5 C6 N1 C2 -0.3(4) . . . . ?
C5 C6 N1 Ag1 -168.5(2) . . . . ?
C2 C7 N2 N3 179.36(18) . . . . ?
C15 C7 N2 N3 -0.9(4) . . . . ?
C2 C7 N2 Ag1 -17.2(3) . . . . ?
C15 C7 N2 Ag1 162.6(2) . . . . ?
O1 C8 N3 N2 2.1(3) . . . . ?
C9 C8 N3 N2 -176.51(19) . . . . ?
C7 N2 N3 C8 170.7(2) . . . . ?
Ag1 N2 N3 C8 7.3(3) . . . . ?
C19 C20 N4 C16 -1.8(3) . . . . ?
C19 C20 N4 Ag1 -166.81(18) . . . . ?
C17 C16 N4 C20 -0.5(3) . . . . ?
C21 C16 N4 C20 178.46(18) . . . . ?
C17 C16 N4 Ag1 165.66(16) . . . . ?
C21 C16 N4 Ag1 -15.4(2) . . . . ?
C16 C21 N5 N6 -174.87(17) . . . . ?
C29 C21 N5 N6 6.5(3) . . . . ?
C16 C21 N5 Ag1 -5.4(2) . . . . ?
C29 C21 N5 Ag1 175.97(18) . . . . ?
O11 C22 N6 N5 10.9(3) . . . . ?
C23 C22 N6 N5 -172.59(19) . . . . ?
C21 N5 N6 C22 -157.3(2) . . . . ?
Ag1 N5 N6 C22 33.3(2) . . . . ?
N3 C8 O1 Ag1 -9.4(3) . . . . ?
C9 C8 O1 Ag1 169.13(17) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N3 H3N O4A 0.86 2.22 3.051(10) 163.5 1_565 yes
N3 H3N O4B 0.86 2.52 3.374(17) 172.9 1_565 yes
N6 H6N O2A 0.86 2.33 2.974(12) 131.7 . yes
N6 H6N O2B 0.86 2.21 2.905(13) 138.0 . yes

_refine_diff_density_max         0.276
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.060

####################################################################### 
# 
# 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_3a
_database_code_depnum_ccdc_archive 'CCDC 1582670'

_audit_update_record             
;
2017-10-28 deposited with the CCDC.
2018-01-11 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H24 Ag Cl2 N6 O2 +, N O3 -'
_chemical_formula_sum            'C28 H24 Ag Cl2 N7 O5'
_chemical_formula_weight         717.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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'
'-x, -y, -z'

_cell_length_a                   8.2925(4)
_cell_length_b                   13.1239(7)
_cell_length_c                   14.7518(7)
_cell_angle_alpha                112.238(5)
_cell_angle_beta                 98.638(4)
_cell_angle_gamma                96.159(4)
_cell_volume                     1445.35(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    270(2)
_cell_measurement_reflns_used    4759
_cell_measurement_theta_min      2.5320
_cell_measurement_theta_max      25.8650

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_F_000             724
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.427
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.054
_exptl_absorpt_coefficient_mu    0.934
_shelx_estimated_absorpt_T_min   0.691
_shelx_estimated_absorpt_T_max   0.951
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.774
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      270(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4186
_diffrn_reflns_number            22505
_diffrn_reflns_av_unetI/netI     0.0560
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.525
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5925
_reflns_number_gt                4190
_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-2017/1 (Sheldrick, 2017)'
_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)+(0.0493P)²+0.8249P] 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         5925
_refine_ls_number_parameters     388
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.1204
_refine_ls_wR_factor_gt          0.1024
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.069
_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
C2 C 0.5947(5) 0.9445(3) 0.3595(3) 0.0400(9) Uani 1 1 d . . . . .
C3 C 0.6855(6) 1.0067(4) 0.4560(3) 0.0613(13) Uani 1 1 d . . . . .
H3 H 0.723574 1.082993 0.477316 0.074 Uiso 1 1 calc R U . . .
C4 C 0.7184(7) 0.9538(6) 0.5200(4) 0.0728(16) Uani 1 1 d . . . . .
H4 H 0.779039 0.994370 0.584885 0.087 Uiso 1 1 calc R U . . .
C5 C 0.6620(7) 0.8427(6) 0.4878(4) 0.0692(16) Uani 1 1 d . . . . .
H5 H 0.681079 0.806049 0.530368 0.083 Uiso 1 1 calc R U . . .
C6 C 0.5756(6) 0.7853(4) 0.3904(4) 0.0564(12) Uani 1 1 d . . . . .
H6 H 0.539120 0.708630 0.367851 0.068 Uiso 1 1 calc R U . . .
C7 C 0.5462(5) 0.9987(3) 0.2891(3) 0.0393(9) Uani 1 1 d . . . . .
C8 C 0.2770(5) 0.9156(3) 0.0568(3) 0.0403(9) Uani 1 1 d . . . . .
C9 C 0.2257(5) 0.9657(3) -0.0162(3) 0.0351(9) Uani 1 1 d . . . . .
C10 C 0.0862(5) 0.9090(3) -0.0905(3) 0.0422(10) Uani 1 1 d . . . . .
H10 H 0.030184 0.842226 -0.093210 0.051 Uiso 1 1 calc R U . . .
C11 C 0.0281(5) 0.9496(3) -0.1610(3) 0.0438(10) Uani 1 1 d . . . . .
H11 H -0.066482 0.911529 -0.210437 0.053 Uiso 1 1 calc R U . . .
C12 C 0.1146(5) 1.0482(3) -0.1557(3) 0.0415(10) Uani 1 1 d . . . . .
C13 C 0.2569(5) 1.1050(3) -0.0844(3) 0.0428(10) Uani 1 1 d . . . . .
H13 H 0.315086 1.170115 -0.083547 0.051 Uiso 1 1 calc R U . . .
C14 C 0.3122(5) 1.0638(3) -0.0140(3) 0.0396(9) Uani 1 1 d . . . . .
H14 H 0.407343 1.101852 0.034989 0.048 Uiso 1 1 calc R U . . .
C15 C 0.6341(6) 1.1137(3) 0.3110(4) 0.0574(12) Uani 1 1 d . . . . .
H15A H 0.629410 1.123860 0.249624 0.086 Uiso 1 1 calc R U . . .
H15B H 0.747809 1.122754 0.342562 0.086 Uiso 1 1 calc R U . . .
H15C H 0.581618 1.168198 0.354894 0.086 Uiso 1 1 calc R U . . .
C16 C 0.2459(5) 0.4930(3) -0.0011(3) 0.0337(8) Uani 1 1 d . . . . .
C17 C 0.2028(6) 0.4060(3) -0.0944(3) 0.0459(10) Uani 1 1 d . . . . .
H17 H 0.134575 0.340271 -0.103882 0.055 Uiso 1 1 calc R U . . .
C18 C 0.2612(6) 0.4168(4) -0.1743(3) 0.0565(13) Uani 1 1 d . . . . .
H18 H 0.233446 0.358596 -0.237543 0.068 Uiso 1 1 calc R U . . .
C19 C 0.3609(6) 0.5152(4) -0.1582(3) 0.0525(12) Uani 1 1 d . . . . .
H19 H 0.404241 0.524548 -0.209668 0.063 Uiso 1 1 calc R U . . .
C20 C 0.3949(6) 0.5998(4) -0.0634(3) 0.0461(10) Uani 1 1 d . . . . .
H20 H 0.458648 0.667387 -0.053317 0.055 Uiso 1 1 calc R U . . .
C21 C 0.1937(5) 0.4831(3) 0.0883(3) 0.0339(9) Uani 1 1 d . . . . .
C22 C 0.1534(5) 0.6582(3) 0.3259(3) 0.0376(9) Uani 1 1 d . . . . .
C23 C 0.1407(5) 0.6469(3) 0.4222(3) 0.0354(9) Uani 1 1 d . . . . .
C24 C 0.0218(5) 0.6937(3) 0.4718(3) 0.0415(10) Uani 1 1 d . . . . .
H24 H -0.048396 0.730284 0.444794 0.050 Uiso 1 1 calc R U . . .
C25 C 0.0052(6) 0.6870(4) 0.5616(3) 0.0490(11) Uani 1 1 d . . . . .
H25 H -0.078275 0.716141 0.593460 0.059 Uiso 1 1 calc R U . . .
C26 C 0.1146(6) 0.6365(3) 0.6027(3) 0.0429(10) Uani 1 1 d . . . . .
C27 C 0.2352(6) 0.5896(3) 0.5552(3) 0.0447(10) Uani 1 1 d . . . . .
H27 H 0.307832 0.555577 0.583894 0.054 Uiso 1 1 calc R U . . .
C28 C 0.2470(6) 0.5936(3) 0.4636(3) 0.0414(10) Uani 1 1 d . . . . .
H28 H 0.326342 0.560566 0.429930 0.050 Uiso 1 1 calc R U . . .
C29 C 0.1160(6) 0.3710(3) 0.0803(3) 0.0528(12) Uani 1 1 d . . . . .
H29A H 0.198023 0.338374 0.107717 0.079 Uiso 1 1 calc R U . . .
H29B H 0.071670 0.323206 0.011191 0.079 Uiso 1 1 calc R U . . .
H29C H 0.028216 0.379528 0.116802 0.079 Uiso 1 1 calc R U . . .
N1 N 0.5415(4) 0.8338(3) 0.3266(2) 0.0424(8) Uani 1 1 d . . . . .
N2 N 0.4300(4) 0.9402(3) 0.2133(2) 0.0368(7) Uani 1 1 d . . . . .
N3 N 0.3771(4) 0.9856(3) 0.1461(2) 0.0376(8) Uani 1 1 d . . . . .
H3N H 0.406206 1.055667 0.160079 0.045 Uiso 1 1 calc R U . . .
N4 N 0.3419(4) 0.5903(3) 0.0145(2) 0.0365(7) Uani 1 1 d . . . . .
N5 N 0.2171(4) 0.5737(2) 0.1667(2) 0.0353(7) Uani 1 1 d . . . . .
N6 N 0.1836(4) 0.5665(3) 0.2533(2) 0.0406(8) Uani 1 1 d . . . . .
H6N H 0.182071 0.504613 0.260956 0.049 Uiso 1 1 calc R U . . .
N7 N 0.3620(5) 0.2959(3) 0.2713(3) 0.0535(10) Uani 1 1 d D . . . .
O1 O 0.2333(4) 0.8164(2) 0.0360(2) 0.0619(9) Uani 1 1 d . . . . .
O11 O 0.1347(4) 0.7435(2) 0.3145(2) 0.0525(8) Uani 1 1 d . . . . .
Cl1 Cl 0.04294(18) 1.10285(10) -0.24161(9) 0.0661(4) Uani 1 1 d . . . . .
Cl2 Cl 0.10356(18) 0.63599(11) 0.71902(9) 0.0664(4) Uani 1 1 d . . . . .
Ag1 Ag 0.35637(5) 0.74281(2) 0.16888(2) 0.05047(14) Uani 1 1 d . . . . .
O2A O 0.3867(11) 0.4031(4) 0.2841(6) 0.049(2) Uiso 0.51(2) 1 d D . P A 1
O3A O 0.3410(16) 0.2791(11) 0.3427(8) 0.097(4) Uiso 0.51(2) 1 d D . P A 1
O4A O 0.4320(18) 0.2401(6) 0.2044(8) 0.078(3) Uiso 0.51(2) 1 d D . P A 1
O2B O 0.3560(15) 0.3918(5) 0.3015(7) 0.074(3) Uiso 0.49(2) 1 d D . P A 2
O3B O 0.3092(12) 0.2363(9) 0.3182(7) 0.066(3) Uiso 0.49(2) 1 d D . P A 2
O4B O 0.3639(18) 0.2338(6) 0.1831(6) 0.072(3) Uiso 0.49(2) 1 d D . 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
C2 N1 1.343(5) . ?
C2 C3 1.389(6) . ?
C2 C7 1.496(6) . ?
C3 C4 1.380(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.355(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.380(7) . ?
C5 H5 0.9300 . ?
C6 N1 1.335(5) . ?
C6 H6 0.9300 . ?
C7 N2 1.279(5) . ?
C7 C15 1.495(6) . ?
C8 O1 1.219(4) . ?
C8 N3 1.364(5) . ?
C8 C9 1.493(5) . ?
C9 C10 1.382(6) . ?
C9 C14 1.392(5) . ?
C10 C11 1.388(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.378(6) . ?
C12 Cl1 1.740(4) . ?
C13 C14 1.384(5) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 N4 1.350(5) . ?
C16 C17 1.379(5) . ?
C16 C21 1.494(5) . ?
C17 C18 1.388(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.373(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.381(6) . ?
C19 H19 0.9300 . ?
C20 N4 1.333(5) . ?
C20 H20 0.9300 . ?
C21 N5 1.277(5) . ?
C21 C29 1.495(5) . ?
C22 O11 1.216(4) . ?
C22 N6 1.352(5) . ?
C22 C23 1.500(5) . ?
C23 C24 1.375(5) . ?
C23 C28 1.391(6) . ?
C24 C25 1.385(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.378(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.373(6) . ?
C26 Cl2 1.735(4) . ?
C27 C28 1.389(5) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
N1 Ag1 2.372(3) . ?
N2 N3 1.380(4) . ?
N2 Ag1 2.401(3) . ?
N3 H3N 0.8600 . ?
N4 Ag1 2.371(3) . ?
N5 N6 1.383(4) . ?
N5 Ag1 2.376(3) . ?
N6 H6N 0.8600 . ?
N7 O2B 1.176(6) . ?
N7 O3A 1.188(5) . ?
N7 O4A 1.251(6) . ?
N7 O4B 1.251(6) . ?
N7 O3B 1.307(6) . ?
N7 O2A 1.336(6) . ?
O1 Ag1 2.619(3) . ?

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 C2 C3 121.4(4) . . ?
N1 C2 C7 117.2(3) . . ?
C3 C2 C7 121.4(4) . . ?
C4 C3 C2 119.1(5) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C5 C4 C3 119.7(5) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 118.3(5) . . ?
C4 C5 H5 120.9 . . ?
C6 C5 H5 120.9 . . ?
N1 C6 C5 123.5(5) . . ?
N1 C6 H6 118.2 . . ?
C5 C6 H6 118.2 . . ?
N2 C7 C15 125.3(4) . . ?
N2 C7 C2 115.4(3) . . ?
C15 C7 C2 119.3(4) . . ?
O1 C8 N3 122.2(4) . . ?
O1 C8 C9 121.0(4) . . ?
N3 C8 C9 116.8(3) . . ?
C10 C9 C14 119.2(4) . . ?
C10 C9 C8 117.2(3) . . ?
C14 C9 C8 123.6(4) . . ?
C9 C10 C11 121.3(4) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 118.1(4) . . ?
C12 C11 H11 121.0 . . ?
C10 C11 H11 121.0 . . ?
C13 C12 C11 122.0(4) . . ?
C13 C12 Cl1 118.8(3) . . ?
C11 C12 Cl1 119.2(3) . . ?
C12 C13 C14 119.1(4) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C13 C14 C9 120.2(4) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
C7 C15 H15A 109.5 . . ?
C7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N4 C16 C17 121.4(3) . . ?
N4 C16 C21 116.7(3) . . ?
C17 C16 C21 121.9(3) . . ?
C16 C17 C18 119.9(4) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 118.7(4) . . ?
C19 C18 H18 120.7 . . ?
C17 C18 H18 120.7 . . ?
C18 C19 C20 118.2(4) . . ?
C18 C19 H19 120.9 . . ?
C20 C19 H19 120.9 . . ?
N4 C20 C19 123.9(4) . . ?
N4 C20 H20 118.0 . . ?
C19 C20 H20 118.0 . . ?
N5 C21 C16 116.3(3) . . ?
N5 C21 C29 124.7(3) . . ?
C16 C21 C29 119.1(3) . . ?
O11 C22 N6 123.1(3) . . ?
O11 C22 C23 121.8(3) . . ?
N6 C22 C23 115.1(3) . . ?
C24 C23 C28 119.3(3) . . ?
C24 C23 C22 118.3(4) . . ?
C28 C23 C22 122.4(4) . . ?
C23 C24 C25 121.0(4) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C26 C25 C24 118.8(4) . . ?
C26 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C27 C26 C25 121.6(4) . . ?
C27 C26 Cl2 119.2(3) . . ?
C25 C26 Cl2 119.1(3) . . ?
C26 C27 C28 119.0(4) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
C27 C28 C23 120.3(4) . . ?
C27 C28 H28 119.8 . . ?
C23 C28 H28 119.8 . . ?
C21 C29 H29A 109.5 . . ?
C21 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C21 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C6 N1 C2 118.0(4) . . ?
C6 N1 Ag1 123.5(3) . . ?
C2 N1 Ag1 117.7(3) . . ?
C7 N2 N3 118.6(3) . . ?
C7 N2 Ag1 119.4(3) . . ?
N3 N2 Ag1 120.2(2) . . ?
C8 N3 N2 117.7(3) . . ?
C8 N3 H3N 121.2 . . ?
N2 N3 H3N 121.2 . . ?
C20 N4 C16 117.8(3) . . ?
C20 N4 Ag1 124.2(3) . . ?
C16 N4 Ag1 116.7(2) . . ?
C21 N5 N6 117.9(3) . . ?
C21 N5 Ag1 120.1(2) . . ?
N6 N5 Ag1 121.2(2) . . ?
C22 N6 N5 119.0(3) . . ?
C22 N6 H6N 120.5 . . ?
N5 N6 H6N 120.5 . . ?
O3A N7 O4A 126.7(5) . . ?
O2B N7 O4B 126.1(5) . . ?
O2B N7 O3B 119.8(5) . . ?
O4B N7 O3B 110.2(5) . . ?
O3A N7 O2A 115.7(5) . . ?
O4A N7 O2A 110.2(5) . . ?
C8 O1 Ag1 116.0(3) . . ?
N4 Ag1 N1 137.85(12) . . ?
N4 Ag1 N5 68.71(10) . . ?
N1 Ag1 N5 106.56(11) . . ?
N4 Ag1 N2 129.69(10) . . ?
N1 Ag1 N2 68.25(11) . . ?
N5 Ag1 N2 158.54(11) . . ?
N4 Ag1 O1 76.86(10) . . ?
N1 Ag1 O1 132.01(10) . . ?
N5 Ag1 O1 118.86(10) . . ?
N2 Ag1 O1 63.82(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 C4 -1.4(7) . . . . ?
C7 C2 C3 C4 176.1(4) . . . . ?
C2 C3 C4 C5 0.0(8) . . . . ?
C3 C4 C5 C6 1.4(8) . . . . ?
C4 C5 C6 N1 -1.5(8) . . . . ?
N1 C2 C7 N2 14.6(5) . . . . ?
C3 C2 C7 N2 -163.0(4) . . . . ?
N1 C2 C7 C15 -165.2(4) . . . . ?
C3 C2 C7 C15 17.3(6) . . . . ?
O1 C8 C9 C10 21.9(6) . . . . ?
N3 C8 C9 C10 -159.4(4) . . . . ?
O1 C8 C9 C14 -156.8(4) . . . . ?
N3 C8 C9 C14 21.8(6) . . . . ?
C14 C9 C10 C11 -1.9(6) . . . . ?
C8 C9 C10 C11 179.3(4) . . . . ?
C9 C10 C11 C12 0.6(6) . . . . ?
C10 C11 C12 C13 1.3(6) . . . . ?
C10 C11 C12 Cl1 -178.8(3) . . . . ?
C11 C12 C13 C14 -2.0(6) . . . . ?
Cl1 C12 C13 C14 178.2(3) . . . . ?
C12 C13 C14 C9 0.7(6) . . . . ?
C10 C9 C14 C13 1.2(6) . . . . ?
C8 C9 C14 C13 179.9(4) . . . . ?
N4 C16 C17 C18 1.4(7) . . . . ?
C21 C16 C17 C18 -176.6(4) . . . . ?
C16 C17 C18 C19 -0.4(7) . . . . ?
C17 C18 C19 C20 -1.5(7) . . . . ?
C18 C19 C20 N4 2.6(7) . . . . ?
N4 C16 C21 N5 12.9(5) . . . . ?
C17 C16 C21 N5 -168.9(4) . . . . ?
N4 C16 C21 C29 -168.3(4) . . . . ?
C17 C16 C21 C29 9.8(6) . . . . ?
O11 C22 C23 C24 38.3(6) . . . . ?
N6 C22 C23 C24 -140.5(4) . . . . ?
O11 C22 C23 C28 -140.0(4) . . . . ?
N6 C22 C23 C28 41.2(5) . . . . ?
C28 C23 C24 C25 -0.9(6) . . . . ?
C22 C23 C24 C25 -179.3(4) . . . . ?
C23 C24 C25 C26 2.6(6) . . . . ?
C24 C25 C26 C27 -2.3(6) . . . . ?
C24 C25 C26 Cl2 175.8(3) . . . . ?
C25 C26 C27 C28 0.2(6) . . . . ?
Cl2 C26 C27 C28 -177.8(3) . . . . ?
C26 C27 C28 C23 1.6(6) . . . . ?
C24 C23 C28 C27 -1.2(6) . . . . ?
C22 C23 C28 C27 177.1(4) . . . . ?
C5 C6 N1 C2 0.1(7) . . . . ?
C5 C6 N1 Ag1 -169.5(4) . . . . ?
C3 C2 N1 C6 1.3(6) . . . . ?
C7 C2 N1 C6 -176.2(4) . . . . ?
C3 C2 N1 Ag1 171.5(3) . . . . ?
C7 C2 N1 Ag1 -6.0(5) . . . . ?
C15 C7 N2 N3 -1.3(6) . . . . ?
C2 C7 N2 N3 179.0(3) . . . . ?
C15 C7 N2 Ag1 163.8(3) . . . . ?
C2 C7 N2 Ag1 -16.0(4) . . . . ?
O1 C8 N3 N2 0.6(6) . . . . ?
C9 C8 N3 N2 -178.0(3) . . . . ?
C7 N2 N3 C8 167.7(4) . . . . ?
Ag1 N2 N3 C8 2.8(4) . . . . ?
C19 C20 N4 C16 -1.6(7) . . . . ?
C19 C20 N4 Ag1 -168.3(3) . . . . ?
C17 C16 N4 C20 -0.4(6) . . . . ?
C21 C16 N4 C20 177.7(4) . . . . ?
C17 C16 N4 Ag1 167.3(3) . . . . ?
C21 C16 N4 Ag1 -14.6(4) . . . . ?
C16 C21 N5 N6 -174.6(3) . . . . ?
C29 C21 N5 N6 6.8(6) . . . . ?
C16 C21 N5 Ag1 -4.7(5) . . . . ?
C29 C21 N5 Ag1 176.6(3) . . . . ?
O11 C22 N6 N5 9.0(6) . . . . ?
C23 C22 N6 N5 -172.3(3) . . . . ?
C21 N5 N6 C22 -158.2(4) . . . . ?
Ag1 N5 N6 C22 32.0(5) . . . . ?
N3 C8 O1 Ag1 -3.2(5) . . . . ?
C9 C8 O1 Ag1 175.3(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N3 H3N O4A 0.86 2.23 3.079(7) 168.5 1_565 yes
N3 H3N O4B 0.86 2.30 3.109(8) 155.6 1_565 yes
N6 H6N O2A 0.86 2.33 2.987(7) 133.5 . yes
N6 H6N O2B 0.86 2.34 3.071(9) 142.4 . yes

_refine_diff_density_max         1.149
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.081

