# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 1977163'
loop_
_audit_author_name
_audit_author_address
'Zhenzhen Xue'
;qingdao university
China
;
_audit_update_record             
;
2020-11-05 deposited with the CCDC.	2020-11-10 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         ?
_chemical_formula_sum            'C38 H31 Ag4 N18 O4.50'
_chemical_formula_weight         1243.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           73
_space_group_name_H-M_alt        'I b c a'
_space_group_name_Hall           '-I 2b 2c'

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

_cell_length_a                   21.8025(3)
_cell_length_b                   26.2621(4)
_cell_length_c                   29.1639(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16698.6(4)
_cell_formula_units_Z            16
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    11780
_cell_measurement_theta_min      4.0140
_cell_measurement_theta_max      73.2380

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.978
_exptl_crystal_F_000             9744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_exptl_absorpt_coefficient_mu    15.399
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.16378
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20449
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         4.017
_diffrn_reflns_theta_max         67.469
_diffrn_reflns_theta_full        67.469
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7512
_reflns_number_gt                7043
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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)+(0.0378P)²+124.0404P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7512
_refine_ls_number_parameters     591
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0301
_refine_ls_wR_factor_ref         0.0782
_refine_ls_wR_factor_gt          0.0769
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_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 0.50121(2) 0.33549(2) 0.17012(2) 0.01387(7) Uani 1 1 d . . . . .
Ag2 Ag 0.55067(2) 0.21126(2) 0.08834(2) 0.01137(7) Uani 1 1 d . . . . .
Ag3 Ag 0.29919(3) 0.41309(2) 0.30609(2) 0.02578(14) Uani 0.8 1 d . . P . .
Ag3A Ag 0.29741(12) 0.43108(10) 0.29355(8) 0.0220(5) Uani 0.2 1 d . . P . .
Ag4 Ag 0.58854(2) 0.22378(2) -0.00609(2) 0.01794(8) Uani 1 1 d . . . . .
C1 C 0.5841(2) 0.42103(15) 0.24819(14) 0.0218(9) Uani 1 1 d . . . . .
H1A H 0.5487 0.4407 0.2490 0.026 Uiso 1 1 calc R U . . .
C2 C 0.6327(2) 0.43517(15) 0.27616(13) 0.0204(8) Uani 1 1 d . . . . .
H2A H 0.6297 0.4630 0.2957 0.024 Uiso 1 1 calc R U . . .
C3 C 0.68617(19) 0.40630(15) 0.27399(13) 0.0190(8) Uani 1 1 d . . . . .
H3A H 0.7201 0.4153 0.2915 0.023 Uiso 1 1 calc R U . . .
C4 C 0.68868(18) 0.36382(14) 0.24543(13) 0.0148(7) Uani 1 1 d . . . . .
H4A H 0.7237 0.3436 0.2440 0.018 Uiso 1 1 calc R U . . .
C5 C 0.63700(17) 0.35248(13) 0.21908(12) 0.0123(7) Uani 1 1 d . . . . .
C6 C 0.63647(17) 0.30822(13) 0.18814(12) 0.0107(7) Uani 1 1 d . . . . .
C7 C 0.65960(16) 0.24344(13) 0.15028(12) 0.0098(7) Uani 1 1 d . . . . .
C8 C 0.69266(16) 0.20072(13) 0.12907(12) 0.0102(7) Uani 1 1 d . . . . .
C9 C 0.74829(17) 0.18372(14) 0.14607(12) 0.0137(7) Uani 1 1 d . . . . .
H9A H 0.7655 0.1984 0.1721 0.016 Uiso 1 1 calc R U . . .
C10 C 0.77771(17) 0.14418(14) 0.12335(13) 0.0155(7) Uani 1 1 d . . . . .
H10A H 0.8155 0.1323 0.1337 0.019 Uiso 1 1 calc R U . . .
C11 C 0.75033(18) 0.12260(14) 0.08522(12) 0.0144(7) Uani 1 1 d . . . . .
H11A H 0.7692 0.0960 0.0696 0.017 Uiso 1 1 calc R U . . .
C12 C 0.69371(17) 0.14154(13) 0.07064(12) 0.0123(7) Uani 1 1 d . . . . .
C13 C 0.66326(17) 0.12005(13) 0.03002(12) 0.0118(7) Uani 1 1 d . . . . .
C14 C 0.60926(17) 0.10982(13) -0.02872(12) 0.0122(7) Uani 1 1 d . . . . .
C15 C 0.56716(18) 0.11965(14) -0.06676(13) 0.0147(7) Uani 1 1 d . . . . .
C16 C 0.55520(19) 0.08208(15) -0.09974(13) 0.0179(8) Uani 1 1 d . . . . .
H16A H 0.5740 0.0504 -0.0979 0.021 Uiso 1 1 calc R U . . .
C17 C 0.5150(2) 0.09298(16) -0.13487(14) 0.0239(9) Uani 1 1 d . . . . .
H17A H 0.5066 0.0689 -0.1574 0.029 Uiso 1 1 calc R U . . .
C18 C 0.4874(2) 0.14037(17) -0.13613(15) 0.0268(9) Uani 1 1 d . . . . .
H18A H 0.4600 0.1487 -0.1594 0.032 Uiso 1 1 calc R U . . .
C19 C 0.5014(2) 0.17525(16) -0.10204(15) 0.0250(9) Uani 1 1 d . . . . .
H19A H 0.4820 0.2068 -0.1028 0.030 Uiso 1 1 calc R U . . .
C20 C 0.3464(2) 0.30199(17) 0.33622(14) 0.0230(9) Uani 1 1 d . . . . .
H20A H 0.3227 0.3084 0.3621 0.028 Uiso 1 1 calc R U . . .
C21 C 0.3799(2) 0.25711(16) 0.33453(14) 0.0233(9) Uani 1 1 d . . . . .
H21A H 0.3794 0.2344 0.3590 0.028 Uiso 1 1 calc R U . . .
C22 C 0.41402(19) 0.24685(15) 0.29559(14) 0.0197(8) Uani 1 1 d . . . . .
H22A H 0.4364 0.2168 0.2932 0.024 Uiso 1 1 calc R U . . .
C23 C 0.41422(18) 0.28222(14) 0.26018(13) 0.0156(8) Uani 1 1 d . . . . .
H23A H 0.4369 0.2762 0.2337 0.019 Uiso 1 1 calc R U . . .
C24 C 0.38015(16) 0.32682(14) 0.26476(12) 0.0123(7) Uani 1 1 d . . . . .
C25 C 0.37830(17) 0.36610(14) 0.22867(12) 0.0138(7) Uani 1 1 d . . . . .
C26 C 0.39476(17) 0.41040(14) 0.17003(12) 0.0124(7) Uani 1 1 d . . . . .
C27 C 0.42290(16) 0.42894(13) 0.12700(12) 0.0113(7) Uani 1 1 d . . . . .
C28 C 0.41059(17) 0.47764(14) 0.11021(13) 0.0142(7) Uani 1 1 d . . . . .
H28A H 0.3836 0.4992 0.1255 0.017 Uiso 1 1 calc R U . . .
C29 C 0.43927(18) 0.49313(14) 0.07041(13) 0.0162(8) Uani 1 1 d . . . . .
H29A H 0.4321 0.5254 0.0584 0.019 Uiso 1 1 calc R U . . .
C30 C 0.47919(17) 0.45957(14) 0.04865(13) 0.0151(7) Uani 1 1 d . . . . .
H30A H 0.4997 0.4693 0.0221 0.018 Uiso 1 1 calc R U . . .
C31 C 0.48793(16) 0.41157(13) 0.06692(12) 0.0103(7) Uani 1 1 d . . . . .
C32 C 0.52691(17) 0.37432(13) 0.04262(12) 0.0104(7) Uani 1 1 d . . . . .
C33 C 0.59365(17) 0.34106(13) 0.00021(12) 0.0105(7) Uani 1 1 d . . . . .
C34 C 0.64860(17) 0.33279(13) -0.02787(12) 0.0111(7) Uani 1 1 d . . . . .
C35 C 0.68511(18) 0.37313(14) -0.04272(13) 0.0161(8) Uani 1 1 d . . . . .
H35A H 0.6720 0.4066 -0.0393 0.019 Uiso 1 1 calc R U . . .
C36 C 0.74126(18) 0.36234(15) -0.06266(13) 0.0178(8) Uani 1 1 d . . . . .
H36A H 0.7664 0.3886 -0.0728 0.021 Uiso 1 1 calc R U . . .
C37 C 0.75960(18) 0.31204(15) -0.06732(13) 0.0172(8) Uani 1 1 d . . . . .
H37A H 0.7980 0.3039 -0.0791 0.021 Uiso 1 1 calc R U . . .
C38 C 0.71882(18) 0.27421(14) -0.05390(12) 0.0150(7) Uani 1 1 d . . . . .
H38A H 0.7300 0.2404 -0.0584 0.018 Uiso 1 1 calc R U . . .
N1 N 0.58543(15) 0.38064(12) 0.22015(11) 0.0179(7) Uani 1 1 d . . . . .
N2 N 0.58622(14) 0.29614(11) 0.16382(10) 0.0105(6) Uani 1 1 d . . . . .
N3 N 0.60141(14) 0.25417(11) 0.13902(10) 0.0108(6) Uani 1 1 d . . . . .
N4 N 0.68369(14) 0.27605(11) 0.18118(10) 0.0115(6) Uani 1 1 d . . . . .
N5 N 0.66529(14) 0.18020(11) 0.09190(10) 0.0111(6) Uani 1 1 d . . . . .
N6 N 0.67198(15) 0.07166(11) 0.01687(10) 0.0130(6) Uani 1 1 d . . . . .
N7 N 0.63677(15) 0.06521(11) -0.02127(10) 0.0132(6) Uani 1 1 d . . . . .
N8 N 0.62394(14) 0.14533(11) 0.00274(10) 0.0116(6) Uani 1 1 d . . . . .
N9 N 0.54125(16) 0.16608(12) -0.06802(11) 0.0176(7) Uani 1 1 d . . . . .
N10 N 0.34659(15) 0.33654(13) 0.30257(11) 0.0183(7) Uani 1 1 d . . . . .
N11 N 0.33866(16) 0.40453(13) 0.23047(11) 0.0197(7) Uani 1 1 d . . . . .
N12 N 0.34952(16) 0.43371(13) 0.19204(11) 0.0199(7) Uani 1 1 d . . . . .
N13 N 0.41467(14) 0.36766(12) 0.19161(10) 0.0113(6) Uani 1 1 d . . . . .
N14 N 0.46118(14) 0.39648(11) 0.10619(10) 0.0114(6) Uani 1 1 d . . . . .
N15 N 0.51868(14) 0.32392(11) 0.04590(10) 0.0109(6) Uani 1 1 d . . . . .
N16 N 0.56214(14) 0.30217(11) 0.01812(10) 0.0108(6) Uani 1 1 d . . . . .
N17 N 0.57328(14) 0.38719(11) 0.01417(10) 0.0113(6) Uani 1 1 d . . . . .
N18 N 0.66451(15) 0.28383(11) -0.03496(10) 0.0130(6) Uani 1 1 d . . . . .
O1W O 0.64555(12) -0.03309(10) -0.05360(9) 0.0168(5) Uani 1 1 d . . . . .
H1WA H 0.6141 -0.0184 -0.0730 0.020 Uiso 1 1 d R U . . .
H1WB H 0.6853 -0.0184 -0.0604 0.020 Uiso 1 1 d R U . . .
O2W O 0.72453(13) -0.01395(10) 0.06013(9) 0.0185(6) Uani 1 1 d . . . . .
H2WA H 0.7142 0.0098 0.0419 0.022 Uiso 1 1 d R U . . .
H2WB H 0.7151 -0.0052 0.0873 0.022 Uiso 1 1 d R U . . .
O3W O 0.11859(15) 0.46612(12) 0.35416(10) 0.0287(7) Uani 1 1 d . . . . .
H3WB H 0.1050 0.4377 0.3446 0.034 Uiso 1 1 d R U . . .
H3WA H 0.1565 0.4708 0.3488 0.034 Uiso 1 1 d R U . . .
O4W O 0.4442(4) 0.5000 0.2500 0.197(9) Uani 1 2 d S T P . .
H4WB H 0.4268 0.4816 0.2298 0.236 Uiso 0.5 1 d R U P . .
H4WA H 0.4229 0.4994 0.2744 0.236 Uiso 0.5 1 d R U P . .
O5W O 0.25892(16) 0.47902(12) 0.33965(11) 0.0337(7) 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 N2 2.130(3) . ?
Ag1 N13 2.160(3) . ?
Ag1 N14 2.608(3) . ?
Ag1 N1 2.628(3) . ?
Ag1 Ag2 2.9111(4) 2_655 ?
Ag2 N15 2.161(3) 2_655 ?
Ag2 N3 2.163(3) . ?
Ag2 N5 2.631(3) . ?
Ag2 Ag4 2.8938(4) . ?
Ag2 Ag1 2.9112(4) 2_655 ?
Ag2 Ag2 3.0037(5) 2_655 ?
Ag3 Ag3A 0.5986(19) . ?
Ag3 O5W 2.174(3) . ?
Ag3 N10 2.263(3) . ?
Ag3 N11 2.378(3) . ?
Ag3A O5W 2.024(4) . ?
Ag3A N11 2.163(4) . ?
Ag4 N8 2.215(3) . ?
Ag4 N16 2.251(3) . ?
Ag4 N18 2.437(3) . ?
Ag4 N9 2.573(3) . ?
C1 N1 1.340(5) . ?
C1 C2 1.388(6) . ?
C2 C3 1.392(6) . ?
C3 C4 1.393(5) . ?
C4 C5 1.396(5) . ?
C5 N1 1.346(5) . ?
C5 C6 1.472(5) . ?
C6 N2 1.343(5) . ?
C6 N4 1.347(5) . ?
C7 N3 1.340(5) . ?
C7 N4 1.350(5) . ?
C7 C8 1.470(5) . ?
C8 N5 1.350(5) . ?
C8 C9 1.384(5) . ?
C9 C10 1.389(5) . ?
C10 C11 1.383(5) . ?
C11 C12 1.397(5) . ?
C12 N5 1.341(5) . ?
C12 C13 1.471(5) . ?
C13 N6 1.341(5) . ?
C13 N8 1.345(5) . ?
C14 N7 1.334(5) . ?
C14 N8 1.347(5) . ?
C14 C15 1.463(5) . ?
C15 N9 1.344(5) . ?
C15 C16 1.402(5) . ?
C16 C17 1.378(6) . ?
C17 C18 1.383(6) . ?
C18 C19 1.386(6) . ?
C19 N9 1.341(6) . ?
C20 N10 1.336(5) . ?
C20 C21 1.387(6) . ?
C21 C22 1.385(6) . ?
C22 C23 1.389(5) . ?
C23 C24 1.393(5) . ?
C24 N10 1.348(5) . ?
C24 C25 1.474(5) . ?
C25 N11 1.330(5) . ?
C25 N13 1.341(5) . ?
C26 N12 1.327(5) . ?
C26 N13 1.358(5) . ?
C26 C27 1.479(5) . ?
C27 N14 1.339(5) . ?
C27 C28 1.396(5) . ?
C28 C29 1.380(5) . ?
C29 C30 1.392(5) . ?
C30 C31 1.382(5) . ?
C31 N14 1.345(5) . ?
C31 C32 1.477(5) . ?
C32 N15 1.339(4) . ?
C32 N17 1.351(5) . ?
C33 N16 1.337(5) . ?
C33 N17 1.353(5) . ?
C33 C34 1.467(5) . ?
C34 N18 1.348(5) . ?
C34 C35 1.394(5) . ?
C35 C36 1.385(6) . ?
C36 C37 1.387(6) . ?
C37 C38 1.390(6) . ?
C38 N18 1.331(5) . ?
N2 N3 1.360(4) . ?
N6 N7 1.362(4) . ?
N11 N12 1.378(5) . ?
N15 N16 1.371(4) . ?
N15 Ag2 2.161(3) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N13 167.10(11) . . ?
N2 Ag1 N14 121.83(10) . . ?
N13 Ag1 N14 71.03(10) . . ?
N2 Ag1 N1 70.05(11) . . ?
N13 Ag1 N1 105.82(11) . . ?
N14 Ag1 N1 110.70(10) . . ?
N2 Ag1 Ag2 93.61(8) . 2_655 ?
N13 Ag1 Ag2 93.63(8) . 2_655 ?
N14 Ag1 Ag2 62.82(7) . 2_655 ?
N1 Ag1 Ag2 156.43(7) . 2_655 ?
N15 Ag2 N3 166.36(11) 2_655 . ?
N15 Ag2 N5 123.68(10) 2_655 . ?
N3 Ag2 N5 69.43(10) . . ?
N15 Ag2 Ag4 72.74(8) 2_655 . ?
N3 Ag2 Ag4 116.43(8) . . ?
N5 Ag2 Ag4 78.57(6) . . ?
N15 Ag2 Ag1 90.98(8) 2_655 2_655 ?
N3 Ag2 Ag1 81.87(8) . 2_655 ?
N5 Ag2 Ag1 101.89(6) . 2_655 ?
Ag4 Ag2 Ag1 159.800(12) . 2_655 ?
N15 Ag2 Ag2 77.00(8) 2_655 2_655 ?
N3 Ag2 Ag2 91.33(8) . 2_655 ?
N5 Ag2 Ag2 155.33(6) . 2_655 ?
Ag4 Ag2 Ag2 97.634(8) . 2_655 ?
Ag1 Ag2 Ag2 89.993(9) 2_655 2_655 ?
Ag3A Ag3 O5W 67.7(3) . . ?
Ag3A Ag3 N10 134.7(3) . . ?
O5W Ag3 N10 155.84(13) . . ?
Ag3A Ag3 N11 62.1(3) . . ?
O5W Ag3 N11 129.72(12) . . ?
N10 Ag3 N11 73.07(11) . . ?
Ag3 Ag3A O5W 96.4(3) . . ?
Ag3 Ag3A N11 103.8(3) . . ?
O5W Ag3A N11 159.68(18) . . ?
N8 Ag4 N16 154.58(11) . . ?
N8 Ag4 N18 113.90(11) . . ?
N16 Ag4 N18 71.96(11) . . ?
N8 Ag4 N9 70.94(11) . . ?
N16 Ag4 N9 131.02(11) . . ?
N18 Ag4 N9 114.27(10) . . ?
N8 Ag4 Ag2 83.29(8) . . ?
N16 Ag4 Ag2 74.49(8) . . ?
N18 Ag4 Ag2 126.60(7) . . ?
N9 Ag4 Ag2 119.12(7) . . ?
N1 C1 C2 123.7(4) . . ?
C1 C2 C3 117.8(4) . . ?
C2 C3 C4 119.8(4) . . ?
C3 C4 C5 117.9(4) . . ?
N1 C5 C4 123.0(3) . . ?
N1 C5 C6 116.2(3) . . ?
C4 C5 C6 120.8(3) . . ?
N2 C6 N4 113.3(3) . . ?
N2 C6 C5 121.1(3) . . ?
N4 C6 C5 125.6(3) . . ?
N3 C7 N4 113.5(3) . . ?
N3 C7 C8 121.4(3) . . ?
N4 C7 C8 125.1(3) . . ?
N5 C8 C9 123.1(3) . . ?
N5 C8 C7 115.2(3) . . ?
C9 C8 C7 121.7(3) . . ?
C8 C9 C10 118.4(3) . . ?
C11 C10 C9 119.4(3) . . ?
C10 C11 C12 118.7(3) . . ?
N5 C12 C11 122.5(3) . . ?
N5 C12 C13 117.0(3) . . ?
C11 C12 C13 120.5(3) . . ?
N6 C13 N8 112.9(3) . . ?
N6 C13 C12 122.0(3) . . ?
N8 C13 C12 125.1(3) . . ?
N7 C14 N8 113.0(3) . . ?
N7 C14 C15 124.1(3) . . ?
N8 C14 C15 122.9(3) . . ?
N9 C15 C16 122.8(4) . . ?
N9 C15 C14 116.4(3) . . ?
C16 C15 C14 120.8(3) . . ?
C17 C16 C15 118.8(4) . . ?
C16 C17 C18 118.9(4) . . ?
C17 C18 C19 118.7(4) . . ?
N9 C19 C18 123.7(4) . . ?
N10 C20 C21 123.3(4) . . ?
C22 C21 C20 118.5(4) . . ?
C21 C22 C23 118.8(4) . . ?
C22 C23 C24 119.3(4) . . ?
N10 C24 C23 121.8(3) . . ?
N10 C24 C25 115.9(3) . . ?
C23 C24 C25 122.3(3) . . ?
N11 C25 N13 113.1(3) . . ?
N11 C25 C24 121.4(3) . . ?
N13 C25 C24 125.5(3) . . ?
N12 C26 N13 113.3(3) . . ?
N12 C26 C27 124.5(3) . . ?
N13 C26 C27 122.2(3) . . ?
N14 C27 C28 123.0(3) . . ?
N14 C27 C26 115.7(3) . . ?
C28 C27 C26 121.3(3) . . ?
C29 C28 C27 118.6(3) . . ?
C28 C29 C30 118.7(3) . . ?
C31 C30 C29 119.2(3) . . ?
N14 C31 C30 122.5(3) . . ?
N14 C31 C32 117.6(3) . . ?
C30 C31 C32 119.9(3) . . ?
N15 C32 N17 113.0(3) . . ?
N15 C32 C31 122.9(3) . . ?
N17 C32 C31 124.0(3) . . ?
N16 C33 N17 113.4(3) . . ?
N16 C33 C34 121.6(3) . . ?
N17 C33 C34 124.6(3) . . ?
N18 C34 C35 122.0(3) . . ?
N18 C34 C33 115.9(3) . . ?
C35 C34 C33 121.8(3) . . ?
C36 C35 C34 118.7(3) . . ?
C35 C36 C37 119.4(4) . . ?
C36 C37 C38 118.0(4) . . ?
N18 C38 C37 123.4(3) . . ?
C1 N1 C5 117.8(3) . . ?
C1 N1 Ag1 133.0(3) . . ?
C5 N1 Ag1 108.8(2) . . ?
C6 N2 N3 105.9(3) . . ?
C6 N2 Ag1 123.4(2) . . ?
N3 N2 Ag1 130.6(2) . . ?
C7 N3 N2 105.7(3) . . ?
C7 N3 Ag2 122.8(2) . . ?
N2 N3 Ag2 131.4(2) . . ?
C6 N4 C7 101.6(3) . . ?
C12 N5 C8 118.0(3) . . ?
C12 N5 Ag2 130.9(2) . . ?
C8 N5 Ag2 109.1(2) . . ?
C13 N6 N7 105.8(3) . . ?
C14 N7 N6 106.1(3) . . ?
C13 N8 C14 102.3(3) . . ?
C13 N8 Ag4 138.6(2) . . ?
C14 N8 Ag4 118.8(2) . . ?
C19 N9 C15 117.1(3) . . ?
C19 N9 Ag4 132.3(3) . . ?
C15 N9 Ag4 110.3(2) . . ?
C20 N10 C24 118.3(3) . . ?
C20 N10 Ag3 124.7(3) . . ?
C24 N10 Ag3 116.9(2) . . ?
C25 N11 N12 106.2(3) . . ?
C25 N11 Ag3A 123.3(3) . . ?
N12 N11 Ag3A 125.7(3) . . ?
C25 N11 Ag3 110.1(2) . . ?
N12 N11 Ag3 139.8(2) . . ?
Ag3A N11 Ag3 14.15(6) . . ?
C26 N12 N11 105.3(3) . . ?
C25 N13 C26 102.1(3) . . ?
C25 N13 Ag1 137.6(3) . . ?
C26 N13 Ag1 117.9(2) . . ?
C27 N14 C31 118.0(3) . . ?
C27 N14 Ag1 106.0(2) . . ?
C31 N14 Ag1 130.1(2) . . ?
C32 N15 N16 106.1(3) . . ?
C32 N15 Ag2 123.8(2) . 2_655 ?
N16 N15 Ag2 130.1(2) . 2_655 ?
C33 N16 N15 105.5(3) . . ?
C33 N16 Ag4 116.4(2) . . ?
N15 N16 Ag4 138.0(2) . . ?
C32 N17 C33 101.9(3) . . ?
C38 N18 C34 118.3(3) . . ?
C38 N18 Ag4 128.7(2) . . ?
C34 N18 Ag4 112.9(2) . . ?
Ag3A O5W Ag3 15.88(6) . . ?

_refine_diff_density_max         1.053
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.112

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1977164'
loop_
_audit_author_name
_audit_author_address
'Zhenzhen Xue'
;qingdao university
China
;
_audit_update_record             
;
2020-11-05 deposited with the CCDC.	2020-11-10 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         ?
_chemical_formula_sum            'C19 H11 Ag3 I N9'
_chemical_formula_weight         815.88

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'
I I -0.4742 1.8119 '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'

_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                   14.8663(11)
_cell_length_b                   7.3955(8)
_cell_length_c                   20.839(2)
_cell_angle_alpha                90
_cell_angle_beta                 119.363(6)
_cell_angle_gamma                90
_cell_volume                     1996.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1721
_cell_measurement_theta_min      2.9610
_cell_measurement_theta_max      27.3320

_exptl_crystal_description       strip-shaped
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.714
_exptl_crystal_F_000             1528
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    4.490
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.74152
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6879
_diffrn_reflns_av_unetI/netI     0.0919
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.829
_diffrn_reflns_theta_max         25.193
_diffrn_reflns_theta_full        25.193
_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             3587
_reflns_number_gt                2203
_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       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_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)+(0.0407P)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         3587
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_ref         0.1334
_refine_ls_wR_factor_gt          0.1049
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_restrained_S_all      0.992
_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 0.19891(7) 0.62885(15) 0.41762(5) 0.0509(3) Uani 1 1 d . . . . .
Ag2 Ag 0.06140(7) 0.36505(15) 0.20467(5) 0.0531(3) Uani 1 1 d . . . . .
Ag3 Ag -0.02889(8) 0.22305(17) -0.14204(5) 0.0626(4) Uani 1 1 d . . . . .
I1 I 0.09665(6) 0.12045(12) 0.31807(4) 0.0462(3) Uani 1 1 d . . . . .
C1 C 0.4848(9) 0.7561(18) 0.5616(5) 0.051(4) Uani 1 1 d . . . . .
H1A H 0.4646 0.7665 0.5972 0.061 Uiso 1 1 calc R U . . .
C2 C 0.5858(9) 0.7914(16) 0.5814(6) 0.044(3) Uani 1 1 d . . . . .
H2A H 0.6342 0.8176 0.6299 0.053 Uiso 1 1 calc R U . . .
C3 C 0.6127(9) 0.7866(18) 0.5275(6) 0.050(3) Uani 1 1 d . . . . .
H3A H 0.6796 0.8159 0.5385 0.060 Uiso 1 1 calc R U . . .
C4 C 0.5409(8) 0.7388(16) 0.4571(5) 0.042(3) Uani 1 1 d . . . . .
H4A H 0.5588 0.7332 0.4202 0.051 Uiso 1 1 calc R U . . .
C5 C 0.4438(8) 0.6998(17) 0.4424(5) 0.042(3) Uani 1 1 d . . . . .
C6 C 0.3656(7) 0.6352(15) 0.3695(5) 0.031(3) Uani 1 1 d . . . . .
C7 C 0.2932(8) 0.5395(15) 0.2624(5) 0.033(3) Uani 1 1 d . . . . .
C8 C 0.2628(7) 0.4864(15) 0.1858(5) 0.034(3) Uani 1 1 d . . . . .
C9 C 0.3240(8) 0.5222(16) 0.1535(5) 0.041(3) Uani 1 1 d . . . . .
H9A H 0.3898 0.5707 0.1810 0.049 Uiso 1 1 calc R U . . .
C10 C 0.2843(8) 0.4840(16) 0.0797(5) 0.040(3) Uani 1 1 d . . . . .
H10A H 0.3217 0.5131 0.0561 0.047 Uiso 1 1 calc R U . . .
C11 C 0.1908(8) 0.4038(16) 0.0418(5) 0.038(3) Uani 1 1 d . . . . .
H11A H 0.1641 0.3756 -0.0077 0.046 Uiso 1 1 calc R U . . .
C12 C 0.1345(8) 0.3636(16) 0.0775(5) 0.038(3) Uani 1 1 d . . . . .
C13 C 0.0351(8) 0.2739(15) 0.0436(5) 0.035(3) Uani 1 1 d . . . . .
C14 C -0.1066(7) 0.1579(14) -0.0308(5) 0.032(3) Uani 1 1 d . . . . .
C15 C -0.1945(8) 0.0904(15) -0.1011(5) 0.034(3) Uani 1 1 d . . . . .
C16 C -0.2848(8) 0.0293(16) -0.1039(6) 0.043(3) Uani 1 1 d . . . . .
H16A H -0.2913 0.0236 -0.0618 0.051 Uiso 1 1 calc R U . . .
C17 C -0.3633(8) -0.0220(18) -0.1708(6) 0.049(3) Uani 1 1 d . . . . .
H17A H -0.4258 -0.0589 -0.1750 0.059 Uiso 1 1 calc R U . . .
C18 C -0.3518(9) -0.0201(18) -0.2316(6) 0.050(3) Uani 1 1 d . . . . .
H18A H -0.4053 -0.0537 -0.2777 0.060 Uiso 1 1 calc R U . . .
C19 C -0.2587(8) 0.0330(17) -0.2220(5) 0.045(3) Uani 1 1 d . . . . .
H19A H -0.2480 0.0263 -0.2623 0.054 Uiso 1 1 calc R U . . .
N1 N 0.4142(6) 0.7074(14) 0.4934(5) 0.042(2) Uani 1 1 d . . . . .
N2 N 0.2677(6) 0.5978(13) 0.3527(4) 0.039(2) Uani 1 1 d . . . . .
N3 N 0.2213(6) 0.5376(15) 0.2823(4) 0.044(3) Uani 1 1 d . . . . .
N4 N 0.3857(6) 0.5994(12) 0.3145(4) 0.032(2) Uani 1 1 d . . . . .
N5 N 0.1722(6) 0.4040(13) 0.1483(4) 0.036(2) Uani 1 1 d . . . . .
N6 N -0.0139(6) 0.2464(13) 0.0812(4) 0.036(2) Uani 1 1 d . . . . .
N7 N -0.1060(6) 0.1652(12) 0.0342(4) 0.030(2) Uani 1 1 d . . . . .
N8 N -0.0212(6) 0.2270(12) -0.0275(4) 0.032(2) Uani 1 1 d . . . . .
N9 N -0.1810(6) 0.0944(13) -0.1584(4) 0.037(2) 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 N2 2.070(9) . ?
Ag1 N7 2.085(8) 2 ?
Ag2 N6 2.411(8) . ?
Ag2 N5 2.465(9) . ?
Ag2 N3 2.475(9) . ?
Ag2 I1 2.8138(13) . ?
Ag2 I1 2.8672(13) 2 ?
Ag2 Ag3 3.2554(17) 3_565 ?
Ag3 N9 2.319(9) . ?
Ag3 N8 2.333(8) . ?
Ag3 I1 2.6524(13) 4_565 ?
Ag3 Ag2 3.2554(17) 3_565 ?
I1 Ag3 2.6524(13) 4_566 ?
I1 Ag2 2.8672(14) 2_545 ?
C1 N1 1.338(12) . ?
C1 C2 1.372(16) . ?
C1 H1A 0.9300 . ?
C2 C3 1.366(15) . ?
C2 H2A 0.9300 . ?
C3 C4 1.371(14) . ?
C3 H3A 0.9300 . ?
C4 C5 1.353(15) . ?
C4 H4A 0.9300 . ?
C5 N1 1.335(13) . ?
C5 C6 1.467(13) . ?
C6 N4 1.346(12) . ?
C6 N2 1.347(13) . ?
C7 N3 1.323(12) . ?
C7 N4 1.342(12) . ?
C7 C8 1.481(13) . ?
C8 N5 1.328(12) . ?
C8 C9 1.398(14) . ?
C9 C10 1.380(13) . ?
C9 H9A 0.9300 . ?
C10 C11 1.354(14) . ?
C10 H10A 0.9300 . ?
C11 C12 1.397(14) . ?
C11 H11A 0.9300 . ?
C12 N5 1.329(12) . ?
C12 C13 1.450(14) . ?
C13 N6 1.321(13) . ?
C13 N8 1.342(12) . ?
C14 N8 1.338(13) . ?
C14 N7 1.353(12) . ?
C14 C15 1.492(13) . ?
C15 N9 1.306(12) . ?
C15 C16 1.390(15) . ?
C16 C17 1.362(13) . ?
C16 H16A 0.9300 . ?
C17 C18 1.360(15) . ?
C17 H17A 0.9300 . ?
C18 C19 1.356(15) . ?
C18 H18A 0.9300 . ?
C19 N9 1.340(12) . ?
C19 H19A 0.9300 . ?
N2 N3 1.355(11) . ?
N6 N7 1.371(11) . ?
N7 Ag1 2.085(8) 2_545 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N7 170.1(3) . 2 ?
N6 Ag2 N5 66.6(3) . . ?
N6 Ag2 N3 132.8(3) . . ?
N5 Ag2 N3 66.4(3) . . ?
N6 Ag2 I1 117.4(2) . . ?
N5 Ag2 I1 125.64(19) . . ?
N3 Ag2 I1 93.4(2) . . ?
N6 Ag2 I1 98.6(2) . 2 ?
N5 Ag2 I1 122.0(2) . 2 ?
N3 Ag2 I1 102.4(2) . 2 ?
I1 Ag2 I1 111.25(3) . 2 ?
N6 Ag2 Ag3 90.7(2) . 3_565 ?
N5 Ag2 Ag3 72.7(2) . 3_565 ?
N3 Ag2 Ag3 71.7(2) . 3_565 ?
I1 Ag2 Ag3 150.25(4) . 3_565 ?
I1 Ag2 Ag3 50.86(3) 2 3_565 ?
N9 Ag3 N8 73.2(3) . . ?
N9 Ag3 I1 156.6(2) . 4_565 ?
N8 Ag3 I1 128.8(2) . 4_565 ?
N9 Ag3 Ag2 112.5(2) . 3_565 ?
N8 Ag3 Ag2 108.8(2) . 3_565 ?
I1 Ag3 Ag2 56.98(3) 4_565 3_565 ?
Ag3 I1 Ag2 96.48(4) 4_566 . ?
Ag3 I1 Ag2 72.16(4) 4_566 2_545 ?
Ag2 I1 Ag2 118.99(3) . 2_545 ?
N1 C1 C2 122.9(11) . . ?
N1 C1 H1A 118.6 . . ?
C2 C1 H1A 118.6 . . ?
C3 C2 C1 117.8(10) . . ?
C3 C2 H2A 121.1 . . ?
C1 C2 H2A 121.1 . . ?
C2 C3 C4 119.9(11) . . ?
C2 C3 H3A 120.1 . . ?
C4 C3 H3A 120.1 . . ?
C5 C4 C3 118.8(11) . . ?
C5 C4 H4A 120.6 . . ?
C3 C4 H4A 120.6 . . ?
N1 C5 C4 122.8(9) . . ?
N1 C5 C6 115.7(10) . . ?
C4 C5 C6 121.3(10) . . ?
N4 C6 N2 113.6(9) . . ?
N4 C6 C5 123.5(9) . . ?
N2 C6 C5 122.8(9) . . ?
N3 C7 N4 114.4(8) . . ?
N3 C7 C8 117.9(9) . . ?
N4 C7 C8 127.6(9) . . ?
N5 C8 C9 120.9(9) . . ?
N5 C8 C7 116.3(9) . . ?
C9 C8 C7 122.8(9) . . ?
C10 C9 C8 118.4(10) . . ?
C10 C9 H9A 120.8 . . ?
C8 C9 H9A 120.8 . . ?
C11 C10 C9 119.7(10) . . ?
C11 C10 H10A 120.2 . . ?
C9 C10 H10A 120.2 . . ?
C10 C11 C12 119.6(9) . . ?
C10 C11 H11A 120.2 . . ?
C12 C11 H11A 120.2 . . ?
N5 C12 C11 120.4(10) . . ?
N5 C12 C13 114.7(10) . . ?
C11 C12 C13 124.9(9) . . ?
N6 C13 N8 112.9(9) . . ?
N6 C13 C12 120.6(9) . . ?
N8 C13 C12 126.2(10) . . ?
N8 C14 N7 113.1(8) . . ?
N8 C14 C15 122.1(9) . . ?
N7 C14 C15 124.7(9) . . ?
N9 C15 C16 123.2(9) . . ?
N9 C15 C14 115.9(9) . . ?
C16 C15 C14 120.9(9) . . ?
C17 C16 C15 117.3(10) . . ?
C17 C16 H16A 121.4 . . ?
C15 C16 H16A 121.4 . . ?
C18 C17 C16 121.0(11) . . ?
C18 C17 H17A 119.5 . . ?
C16 C17 H17A 119.5 . . ?
C19 C18 C17 116.8(10) . . ?
C19 C18 H18A 121.6 . . ?
C17 C18 H18A 121.6 . . ?
N9 C19 C18 124.5(11) . . ?
N9 C19 H19A 117.7 . . ?
C18 C19 H19A 117.7 . . ?
C5 N1 C1 117.7(10) . . ?
C6 N2 N3 105.1(8) . . ?
C6 N2 Ag1 128.6(7) . . ?
N3 N2 Ag1 126.3(7) . . ?
C7 N3 N2 106.0(8) . . ?
C7 N3 Ag2 117.7(7) . . ?
N2 N3 Ag2 133.9(7) . . ?
C7 N4 C6 100.8(8) . . ?
C8 N5 C12 120.8(9) . . ?
C8 N5 Ag2 119.6(6) . . ?
C12 N5 Ag2 119.1(7) . . ?
C13 N6 N7 106.9(7) . . ?
C13 N6 Ag2 118.3(7) . . ?
N7 N6 Ag2 134.4(6) . . ?
C14 N7 N6 104.3(8) . . ?
C14 N7 Ag1 142.8(7) . 2_545 ?
N6 N7 Ag1 112.2(6) . 2_545 ?
C14 N8 C13 102.6(8) . . ?
C14 N8 Ag3 111.9(6) . . ?
C13 N8 Ag3 145.5(7) . . ?
C15 N9 C19 116.9(9) . . ?
C15 N9 Ag3 116.8(7) . . ?
C19 N9 Ag3 126.2(7) . . ?

_refine_diff_density_max         1.550
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.180

