# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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 2047454'
loop_
_audit_author_name
_audit_author_address
'Wei-Yin Sun'
;Nanjing University
China
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H28 Ag2 N8, C H Cl2, 2(F6 P)'
_chemical_formula_sum            'C39 H30 Ag2 Cl2 F12 N8 P2'
_chemical_formula_weight         1187.29
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   20.5979(11)
_cell_length_b                   12.0244(7)
_cell_length_c                   17.0561(9)
_cell_angle_alpha                90
_cell_angle_beta                 97.202(2)
_cell_angle_gamma                90
_cell_volume                     4191.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9872
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      53.92
_cell_measurement_theta_min      3.71
_shelx_estimated_absorpt_T_max   0.607
_shelx_estimated_absorpt_T_min   0.490
_exptl_absorpt_coefficient_mu    6.925
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15509
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.936
_diffrn_reflns_theta_min         3.711
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3602
_reflns_number_total             3786
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.780
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         3786
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0335
_refine_ls_restrained_S_all      1.190
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0421P)²+13.2304P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0866
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: H21A(0.5) H21B(0.5) F3(0.5) F5(0.5) F4(0.4) F6(0.6) F5A(0.4)
 F4A(0.4) F3A(0.3) F6A(0.2) F4B(0.4) F5B(0.3)
 Fixed U12: C10(0) C11(0) C21(0)
 Fixed U23: C10(0) C11(0) C21(0)
 Fixed Uiso: H1(0.04) H2(0.042) H3(0.037) H5(0.031) H6(0.031) H8(0.031)
 H9(0.032) H13(0.035) H14(0.035) H16(0.035) H17(0.036) H18(0.041) H19(0.043)
 H20(0.039) H21A(0.053) H21B(0.053)
 Fixed X: H1(0.69011) H2(0.665771) H3(0.614552) H5(0.516389) H6(0.466037)
 H8(0.623226) H9(0.673884) C10(0.5) C11(0.5) H13(0.405703) H14(0.341162)
 H16(0.467444) H17(0.527595) H18(0.331321) H19(0.275513) H20(0.293185) C21(0.5)
 H21A(0.461395) H21B(0.538603)
 Fixed Y: H1(0.505615) H2(0.306222) H3(0.30523) H5(0.417843) H6(0.496106)
 H8(0.695055) H9(0.616487) H13(0.940569) H14(1.004717) H16(0.863022)
 H17(0.790051) H18(1.131251) H19(1.125941) H20(0.93537) H21A(0.684995)
 H21B(0.68499)
 Fixed Z: H1(-0.143005) H2(-0.116117) H3(0.009695) H5(0.05887) H6(0.161103)
 H8(0.217859) H9(0.116018) C10(0.25) C11(0.25) H13(0.234874) H14(0.328979)
 H16(0.50181) H17(0.406677) H18(0.453791) H19(0.576719) H20(0.632287) C21(0.75)
 H21A(0.751994) H21B(0.748007)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.35121(2) 0.72284(2) 0.54052(2) 0.03446(11) Uani 1 1 d . . . . .
C1 C 0.67005(15) 0.4798(3) -0.09922(17) 0.0333(7) Uani 1 1 d . . . . .
H1 H 0.690110 0.505615 -0.143005 0.040 Uiso 1 1 calc R U . . .
C2 C 0.65709(16) 0.3687(3) -0.08497(18) 0.0354(7) Uani 1 1 d . . . . .
H2 H 0.665771 0.306222 -0.116117 0.042 Uiso 1 1 calc R U . . .
C3 C 0.62905(15) 0.3689(2) -0.01618(17) 0.0309(6) Uani 1 1 d . . . . .
H3 H 0.614552 0.305230 0.009695 0.037 Uiso 1 1 calc R U . . .
C4 C 0.59754(13) 0.5158(2) 0.07490(15) 0.0246(5) Uani 1 1 d . . . . .
C5 C 0.53715(13) 0.4765(2) 0.08978(15) 0.0255(6) Uani 1 1 d . . . . .
H5 H 0.516389 0.417843 0.058870 0.031 Uiso 1 1 calc R U . . .
C6 C 0.50722(13) 0.5236(2) 0.15023(15) 0.0261(6) Uani 1 1 d . . . . .
H6 H 0.466037 0.496106 0.161103 0.031 Uiso 1 1 calc R U . . .
C7 C 0.53685(13) 0.6107(2) 0.19520(15) 0.0248(6) Uani 1 1 d . . . . .
C8 C 0.60050(13) 0.6415(2) 0.18388(15) 0.0260(6) Uani 1 1 d . . . . .
H8 H 0.623226 0.695055 0.217859 0.031 Uiso 1 1 calc R U . . .
C9 C 0.63080(13) 0.5947(2) 0.12371(16) 0.0263(6) Uani 1 1 d . . . . .
H9 H 0.673884 0.616487 0.116018 0.032 Uiso 1 1 calc R U . . .
C10 C 0.500000 0.6746(3) 0.250000 0.0255(8) Uani 1 2 d S T P . .
C11 C 0.500000 0.7872(3) 0.250000 0.0257(8) Uani 1 2 d S T P . .
C12 C 0.46948(13) 0.8506(2) 0.31049(16) 0.0272(6) Uani 1 1 d . . . . .
C13 C 0.41635(14) 0.9201(2) 0.28875(16) 0.0296(6) Uani 1 1 d . . . . .
H13 H 0.405703 0.940569 0.234874 0.035 Uiso 1 1 calc R U . . .
C14 C 0.37863(14) 0.9601(2) 0.34451(16) 0.0294(6) Uani 1 1 d . . . . .
H14 H 0.341162 1.004717 0.328979 0.035 Uiso 1 1 calc R U . . .
C15 C 0.39664(13) 0.9337(2) 0.42310(16) 0.0258(6) Uani 1 1 d . . . . .
C16 C 0.45338(14) 0.8744(3) 0.44720(16) 0.0295(6) Uani 1 1 d . . . . .
H16 H 0.467444 0.863022 0.501810 0.035 Uiso 1 1 calc R U . . .
C17 C 0.48917(14) 0.8321(3) 0.39073(16) 0.0297(6) Uani 1 1 d . . . . .
H17 H 0.527595 0.790051 0.406677 0.036 Uiso 1 1 calc R U . . .
C18 C 0.32942(15) 1.0697(3) 0.48833(18) 0.0343(7) Uani 1 1 d . . . . .
H18 H 0.331321 1.131251 0.453791 0.041 Uiso 1 1 calc R U . . .
C19 C 0.29874(15) 1.0672(3) 0.55553(18) 0.0361(7) Uani 1 1 d . . . . .
H19 H 0.275513 1.125941 0.576719 0.043 Uiso 1 1 calc R U . . .
C20 C 0.30886(14) 0.9613(3) 0.58552(17) 0.0327(6) Uani 1 1 d . . . . .
H20 H 0.293185 0.935370 0.632287 0.039 Uiso 1 1 calc R U . . .
C21 C 0.500000 0.7335(4) 0.750000 0.0438(11) Uani 1 2 d S T P . .
H21A H 0.461395 0.684995 0.751994 0.053 Uiso 0.5 1 calc R U P . .
H21B H 0.538603 0.684990 0.748007 0.053 Uiso 0.5 1 calc R U P . .
P1 P 0.29159(5) 0.72128(8) 0.76008(5) 0.0420(2) Uani 1 1 d . . . . .
Cl1 Cl 0.51183(6) 0.81393(11) 0.83544(6) 0.0694(3) Uani 1 1 d . . . . .
N1 N 0.65060(11) 0.5458(2) -0.04319(13) 0.0300(5) Uani 1 1 d . . . . .
N2 N 0.62564(11) 0.4749(2) 0.00830(13) 0.0262(5) Uani 1 1 d . . . . .
N3 N 0.35628(11) 0.9686(2) 0.48060(13) 0.0273(5) Uani 1 1 d . . . . .
N4 N 0.34361(12) 0.8997(2) 0.54037(13) 0.0297(5) Uani 1 1 d . . . . .
F1 F 0.26090(13) 0.71386(19) 0.66939(12) 0.0576(6) Uani 1 1 d . U . . .
F2 F 0.32127(15) 0.7292(3) 0.85039(15) 0.0773(8) Uani 1 1 d . U . . .
F3 F 0.2573(2) 0.8481(4) 0.7606(2) 0.0465(9) Uani 0.5 1 d . U P A 1
F5 F 0.3538(3) 0.6414(5) 0.7425(3) 0.0615(12) Uani 0.5 1 d . U P A 1
F4 F 0.2379(4) 0.6501(7) 0.7824(4) 0.0676(17) Uani 0.4 1 d . U P A 1
F6 F 0.3479(2) 0.8099(4) 0.7411(2) 0.0619(10) Uani 0.6 1 d . U P A 1
F5A F 0.3198(4) 0.6103(6) 0.7621(4) 0.0710(17) Uani 0.4 1 d . U P A 2
F4A F 0.2713(3) 0.5842(5) 0.7664(3) 0.0574(13) Uani 0.4 1 d . U P A 2
F3A F 0.2372(5) 0.7866(9) 0.7810(6) 0.068(2) Uani 0.3 1 d . U P A 2
F6A F 0.3035(6) 0.8356(9) 0.7512(6) 0.049(2) Uani 0.2 1 d . U P A 2
F4B F 0.2174(3) 0.7060(6) 0.7871(3) 0.0452(12) Uani 0.4 1 d . U P A 3
F5B F 0.3509(5) 0.7257(10) 0.7206(6) 0.081(3) Uani 0.3 1 d . U P A 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.129(3) 2_655 ?
Ag1 N4 2.133(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.389(5) . ?
C1 N1 1.342(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.371(4) . ?
C3 H3 0.9500 . ?
C3 N2 1.346(4) . ?
C4 C5 1.384(4) . ?
C4 C9 1.385(4) . ?
C4 N2 1.426(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.387(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.393(4) . ?
C7 C8 1.399(4) . ?
C7 C10 1.489(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.385(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.354(6) . ?
C11 C12 1.484(3) . ?
C11 C12 1.484(3) 2_655 ?
C12 C13 1.390(4) . ?
C12 C17 1.396(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.387(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.382(4) . ?
C15 C16 1.387(4) . ?
C15 N3 1.426(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.381(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.377(4) . ?
C18 N3 1.348(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.378(5) . ?
C20 H20 0.9500 . ?
C20 N4 1.339(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 Cl1 1.741(3) 2_656 ?
C21 Cl1 1.741(3) . ?
P1 F1 1.599(2) . ?
P1 F2 1.587(3) . ?
P1 F3 1.681(4) . ?
P1 F5 1.660(5) . ?
P1 F4 1.486(7) . ?
P1 F6 1.636(4) . ?
P1 F5A 1.455(7) . ?
P1 F4A 1.707(6) . ?
P1 F3A 1.449(9) . ?
P1 F6A 1.408(11) . ?
P1 F4B 1.660(5) . ?
P1 F5B 1.468(11) . ?
N1 N2 1.370(3) . ?
N3 N4 1.364(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 Ag1 N4 174.51(9) 2_655 . ?
C2 C1 H1 124.3 . . ?
N1 C1 H1 124.3 . . ?
N1 C1 C2 111.3(3) . . ?
C1 C2 H2 127.5 . . ?
C3 C2 C1 105.0(3) . . ?
C3 C2 H2 127.5 . . ?
C2 C3 H3 126.0 . . ?
N2 C3 C2 108.1(3) . . ?
N2 C3 H3 126.0 . . ?
C5 C4 C9 120.8(2) . . ?
C5 C4 N2 119.5(2) . . ?
C9 C4 N2 119.7(2) . . ?
C4 C5 H5 120.3 . . ?
C4 C5 C6 119.4(2) . . ?
C6 C5 H5 120.3 . . ?
C5 C6 H6 119.6 . . ?
C5 C6 C7 120.7(3) . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C8 118.5(2) . . ?
C6 C7 C10 120.7(2) . . ?
C8 C7 C10 120.7(2) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.8(3) . . ?
C9 C8 H8 119.6 . . ?
C4 C9 C8 119.2(3) . . ?
C4 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C7 C10 C7 117.9(4) 2_655 . ?
C11 C10 C7 121.07(18) . 2_655 ?
C11 C10 C7 121.07(18) . . ?
C10 C11 C12 120.89(17) . . ?
C10 C11 C12 120.89(17) . 2_655 ?
C12 C11 C12 118.2(3) 2_655 . ?
C13 C12 C11 120.8(2) . . ?
C13 C12 C17 118.7(3) . . ?
C17 C12 C11 120.2(2) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.0(3) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.7(3) . . ?
C15 C14 H14 120.7 . . ?
C14 C15 C16 121.3(3) . . ?
C14 C15 N3 119.4(2) . . ?
C16 C15 N3 119.3(2) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 C15 119.1(3) . . ?
C17 C16 H16 120.5 . . ?
C12 C17 H17 119.7 . . ?
C16 C17 C12 120.7(3) . . ?
C16 C17 H17 119.7 . . ?
C19 C18 H18 126.3 . . ?
N3 C18 H18 126.3 . . ?
N3 C18 C19 107.4(3) . . ?
C18 C19 H19 127.3 . . ?
C18 C19 C20 105.4(3) . . ?
C20 C19 H19 127.3 . . ?
C19 C20 H20 124.3 . . ?
N4 C20 C19 111.4(3) . . ?
N4 C20 H20 124.3 . . ?
H21A C21 H21B 107.8 . . ?
Cl1 C21 H21A 109.1 2_656 . ?
Cl1 C21 H21A 109.1 . . ?
Cl1 C21 H21B 109.1 2_656 . ?
Cl1 C21 H21B 109.1 . . ?
Cl1 C21 Cl1 112.5(3) . 2_656 ?
F1 P1 F3 86.56(16) . . ?
F1 P1 F5 90.8(2) . . ?
F1 P1 F6 92.80(18) . . ?
F1 P1 F4A 86.4(2) . . ?
F1 P1 F4B 89.8(2) . . ?
F2 P1 F1 179.34(16) . . ?
F2 P1 F3 92.98(18) . . ?
F2 P1 F5 89.9(2) . . ?
F2 P1 F6 87.52(19) . . ?
F2 P1 F4A 93.7(2) . . ?
F2 P1 F4B 89.6(2) . . ?
F5 P1 F3 149.4(3) . . ?
F4 P1 F1 89.9(3) . . ?
F4 P1 F2 89.7(3) . . ?
F4 P1 F3 101.2(4) . . ?
F4 P1 F5 109.3(4) . . ?
F4 P1 F6 174.0(4) . . ?
F6 P1 F3 73.7(2) . . ?
F6 P1 F5 76.0(3) . . ?
F5A P1 F1 94.6(3) . . ?
F5A P1 F2 85.8(3) . . ?
F5A P1 F4A 38.1(4) . . ?
F3A P1 F1 92.5(4) . . ?
F3A P1 F2 86.8(4) . . ?
F3A P1 F5A 144.2(6) . . ?
F3A P1 F4A 107.8(5) . . ?
F6A P1 F1 90.2(4) . . ?
F6A P1 F2 89.7(4) . . ?
F6A P1 F5A 145.4(7) . . ?
F6A P1 F4A 175.5(5) . . ?
F6A P1 F3A 69.4(7) . . ?
F5B P1 F1 79.0(4) . . ?
F5B P1 F2 101.6(4) . . ?
F5B P1 F4B 168.2(5) . . ?
C1 N1 Ag1 127.9(2) . 2_655 ?
C1 N1 N2 104.9(2) . . ?
N2 N1 Ag1 126.84(17) . 2_655 ?
C3 N2 C4 128.0(2) . . ?
C3 N2 N1 110.6(2) . . ?
N1 N2 C4 121.2(2) . . ?
C18 N3 C15 127.9(3) . . ?
C18 N3 N4 110.8(2) . . ?
N4 N3 C15 121.2(2) . . ?
C20 N4 Ag1 126.6(2) . . ?
C20 N4 N3 105.1(2) . . ?
N3 N4 Ag1 125.85(17) . . ?

####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 2047458'
loop_
_audit_author_name
_audit_author_address
'Wei-Yin Sun'
;Nanjing University
China
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C114 H84 Ag3 N26 O6'
_chemical_formula_weight         2237.68

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           214
_space_group_name_H-M_alt        'I 41 3 2'
_space_group_name_Hall           'I 4bd 2c 3'

_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'
'-y+1/4, x+3/4, z+1/4'
'-x+1/2, -y, z+1/2'
'y+1/4, -x+1/4, z+3/4'
'x, -y, -z+1/2'
'y+1/4, x+3/4, -z+3/4'
'-x+1/2, y, -z'
'-y+1/4, -x+1/4, -z+1/4'
'z, x, y'
'-x+1/4, z+3/4, y+1/4'
'-z+1/2, -x, y+1/2'
'x+1/4, -z+1/4, y+3/4'
'z, -x, -y+1/2'
'x+1/4, z+3/4, -y+3/4'
'-z+1/2, x, -y'
'-x+1/4, -z+1/4, -y+1/4'
'y, z, x'
'-z+1/4, -y+1/4, -x+1/4'
'-z+3/4, y+1/4, x+3/4'
'z+3/4, y+1/4, -x+1/4'
'z+1/4, -y+1/4, x+3/4'
'y, -z, -x+1/2'
'-y, -z+1/2, x'
'-y, z+1/2, -x+1/2'
'x+1/2, y+1/2, z+1/2'
'-y+3/4, x+5/4, z+3/4'
'-x+1, -y+1/2, z+1'
'y+3/4, -x+3/4, z+5/4'
'x+1/2, -y+1/2, -z+1'
'y+3/4, x+5/4, -z+5/4'
'-x+1, y+1/2, -z+1/2'
'-y+3/4, -x+3/4, -z+3/4'
'z+1/2, x+1/2, y+1/2'
'-x+3/4, z+5/4, y+3/4'
'-z+1, -x+1/2, y+1'
'x+3/4, -z+3/4, y+5/4'
'z+1/2, -x+1/2, -y+1'
'x+3/4, z+5/4, -y+5/4'
'-z+1, x+1/2, -y+1/2'
'-x+3/4, -z+3/4, -y+3/4'
'y+1/2, z+1/2, x+1/2'
'-z+3/4, -y+3/4, -x+3/4'
'-z+5/4, y+3/4, x+5/4'
'z+5/4, y+3/4, -x+3/4'
'z+3/4, -y+3/4, x+5/4'
'y+1/2, -z+1/2, -x+1'
'-y+1/2, -z+1, x+1/2'
'-y+1/2, z+1, -x+1'

_cell_length_a                   28.4267(7)
_cell_length_b                   28.4267(7)
_cell_length_c                   28.4267(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     22971.0(17)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9844
_cell_measurement_theta_min      3.31
_cell_measurement_theta_max      51.09

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_F_000             9112
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.094
_shelx_estimated_absorpt_T_min   0.708
_shelx_estimated_absorpt_T_max   0.790
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77455
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.912
_diffrn_reflns_theta_max         54.008
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3545
_reflns_number_gt                3407
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.732
_reflns_Friedel_fraction_max     0.999
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0552P)²+60.8181P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.09(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3545
_refine_ls_number_parameters     227
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.1272
_refine_ls_wR_factor_gt          0.1265
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_restrained_S_all      1.112
_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 0.125000 0.30322(2) -0.05322(2) 0.0606(2) Uani 1 2 d S T P . .
N4 N 0.1811(2) 0.2494(2) -0.0216(2) 0.0587(14) Uani 1 1 d . . . . .
N3 N 0.18733(19) 0.24881(19) 0.0255(2) 0.0533(13) Uani 1 1 d . . . . .
N2 N 0.40411(19) 0.3802(2) 0.0390(2) 0.0612(15) Uani 1 1 d . . . . .
N1 N 0.3857(2) 0.4243(2) 0.0419(3) 0.0691(17) Uani 1 1 d . . . . .
C1 C 0.4470(3) 0.3862(4) 0.0200(3) 0.081(3) Uani 1 1 d . . . . .
H1 H 0.468276 0.361168 0.013675 0.097 Uiso 1 1 calc R U . . .
C2 C 0.4564(4) 0.4324(3) 0.0108(5) 0.116(5) Uani 1 1 d . . . . .
H2 H 0.484328 0.445391 -0.002161 0.139 Uiso 1 1 calc R U . . .
C3 C 0.4165(4) 0.4560(4) 0.0246(6) 0.135(6) Uani 1 1 d . . . . .
H3 H 0.411508 0.488915 0.022219 0.162 Uiso 1 1 calc R U . . .
C4 C 0.3407(2) 0.4320(3) 0.0613(3) 0.0620(18) Uani 1 1 d . . . . .
C5 C 0.3151(3) 0.4721(3) 0.0500(3) 0.073(2) Uani 1 1 d . . . . .
H5 H 0.326777 0.493634 0.027266 0.087 Uiso 1 1 calc R U . . .
C6 C 0.2724(3) 0.4803(3) 0.0720(3) 0.071(2) Uani 1 1 d . . . . .
H6 H 0.255755 0.508516 0.065404 0.085 Uiso 1 1 calc R U . . .
C7 C 0.2534(2) 0.4483(2) 0.1035(2) 0.0526(15) Uani 1 1 d . . . . .
C8 C 0.2795(2) 0.4083(3) 0.1150(2) 0.0563(16) Uani 1 1 d . . . . .
H8 H 0.267518 0.386291 0.137145 0.068 Uiso 1 1 calc R U . . .
C9 C 0.3227(2) 0.4009(2) 0.0942(3) 0.0580(17) Uani 1 1 d . . . . .
H9 H 0.340443 0.373853 0.102626 0.070 Uiso 1 1 calc R U . . .
C10 C 0.2063(2) 0.4563(2) 0.125000 0.052(2) Uani 1 2 d S T P . .
C11 C 0.1726(2) 0.4226(2) 0.125000 0.051(2) Uani 1 2 d S T P . .
C12 C 0.1779(2) 0.3779(2) 0.0995(2) 0.0477(14) Uani 1 1 d . . . . .
C17 C 0.1901(2) 0.3761(2) 0.0520(2) 0.0544(14) Uani 1 1 d . . . . .
H17 H 0.195630 0.404781 0.035657 0.065 Uiso 1 1 calc R U . . .
C16 C 0.1945(2) 0.3341(2) 0.0277(2) 0.0509(14) Uani 1 1 d . . . . .
H16 H 0.202938 0.333798 -0.004592 0.061 Uiso 1 1 calc R U . . .
C15 C 0.1863(2) 0.2923(2) 0.0517(2) 0.0481(14) Uani 1 1 d . . . . .
C14 C 0.1748(2) 0.2920(2) 0.0986(2) 0.0494(15) Uani 1 1 d . . . . .
H14 H 0.169623 0.263123 0.114685 0.059 Uiso 1 1 calc R U . . .
C13 C 0.1708(2) 0.3345(2) 0.1221(2) 0.0522(15) Uani 1 1 d . . . . .
H13 H 0.162993 0.334313 0.154562 0.063 Uiso 1 1 calc R U . . .
C20 C 0.1809(2) 0.2031(3) -0.0326(3) 0.0642(19) Uani 1 1 d . . . . .
H20 H 0.177652 0.191587 -0.063816 0.077 Uiso 1 1 calc R U . . .
C19 C 0.1860(3) 0.1748(3) 0.0054(3) 0.068(2) Uani 1 1 d . . . . .
H19 H 0.186537 0.141428 0.005983 0.082 Uiso 1 1 calc R U . . .
C18 C 0.1900(3) 0.2046(2) 0.0424(3) 0.0640(18) Uani 1 1 d . . . . .
H18 H 0.193972 0.195820 0.074401 0.077 Uiso 1 1 calc R U . . .
O1 O 0.0986(3) 0.0702(3) 0.0378(3) 0.116(3) Uani 1 1 d . . . . .
N5 N 0.0690(2) 0.0690(2) 0.0690(2) 0.054(2) Uani 1 3 d S T P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.374(6) 7 ?
Ag1 N2 2.374(6) 38_444 ?
Ag1 N4 2.385(6) 16 ?
Ag1 N4 2.385(6) . ?
N4 N3 1.352(8) . ?
N4 C20 1.353(9) . ?
N3 C18 1.349(9) . ?
N3 C15 1.442(8) . ?
N2 C1 1.344(9) . ?
N2 N1 1.362(9) . ?
N1 C3 1.349(11) . ?
N1 C4 1.410(9) . ?
C1 C2 1.367(14) . ?
C1 H1 0.9500 . ?
C2 C3 1.373(14) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C9 1.386(10) . ?
C4 C5 1.388(11) . ?
C5 C6 1.387(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.384(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.396(10) . ?
C7 C10 1.491(8) . ?
C8 C9 1.379(9) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C11 1.355(13) . ?
C11 C12 1.469(8) 30_444 ?
C11 C12 1.470(8) . ?
C12 C17 1.395(9) . ?
C12 C13 1.407(9) . ?
C17 C16 1.386(10) . ?
C17 H17 0.9500 . ?
C16 C15 1.389(9) . ?
C16 H16 0.9500 . ?
C15 C14 1.373(9) . ?
C14 C13 1.385(9) . ?
C14 H14 0.9500 . ?
C13 H13 0.9500 . ?
C20 C19 1.354(12) . ?
C20 H20 0.9500 . ?
C19 C18 1.354(11) . ?
C19 H19 0.9500 . ?
C18 H18 0.9500 . ?
O1 N5 1.223(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
N2 Ag1 N2 115.8(3) 7 38_444 ?
N2 Ag1 N4 90.3(2) 7 16 ?
N2 Ag1 N4 139.5(2) 38_444 16 ?
N2 Ag1 N4 139.5(2) 7 . ?
N2 Ag1 N4 90.3(2) 38_444 . ?
N4 Ag1 N4 88.0(3) 16 . ?
N3 N4 C20 102.5(6) . . ?
N3 N4 Ag1 118.0(4) . . ?
C20 N4 Ag1 122.3(5) . . ?
C18 N3 N4 111.8(6) . . ?
C18 N3 C15 128.0(6) . . ?
N4 N3 C15 119.9(5) . . ?
C1 N2 N1 104.9(7) . . ?
C1 N2 Ag1 120.1(6) . 7 ?
N1 N2 Ag1 134.8(4) . 7 ?
C3 N1 N2 110.0(7) . . ?
C3 N1 C4 129.0(8) . . ?
N2 N1 C4 121.0(6) . . ?
N2 C1 C2 112.1(8) . . ?
N2 C1 H1 124.0 . . ?
C2 C1 H1 124.0 . . ?
C1 C2 C3 104.7(8) . . ?
C1 C2 H2 127.7 . . ?
C3 C2 H2 127.7 . . ?
N1 C3 C2 108.4(10) . . ?
N1 C3 H3 125.8 . . ?
C2 C3 H3 125.8 . . ?
C9 C4 C5 119.1(6) . . ?
C9 C4 N1 120.0(7) . . ?
C5 C4 N1 120.8(7) . . ?
C4 C5 C6 119.5(7) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C7 C6 C5 121.5(7) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C6 C7 C8 118.7(6) . . ?
C6 C7 C10 121.0(6) . . ?
C8 C7 C10 120.3(6) . . ?
C9 C8 C7 119.7(6) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C4 121.4(6) . . ?
C8 C9 H9 119.3 . . ?
C4 C9 H9 119.3 . . ?
C11 C10 C7 121.9(4) . 30_444 ?
C11 C10 C7 121.9(4) . . ?
C7 C10 C7 116.2(8) 30_444 . ?
C10 C11 C12 122.5(4) . 30_444 ?
C10 C11 C12 122.5(4) . . ?
C12 C11 C12 115.0(8) 30_444 . ?
C17 C12 C13 116.5(6) . . ?
C17 C12 C11 122.4(6) . . ?
C13 C12 C11 121.2(6) . . ?
C16 C17 C12 122.3(6) . . ?
C16 C17 H17 118.8 . . ?
C12 C17 H17 118.8 . . ?
C17 C16 C15 118.7(6) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C14 C15 C16 121.4(6) . . ?
C14 C15 N3 120.1(6) . . ?
C16 C15 N3 118.4(6) . . ?
C15 C14 C13 118.8(6) . . ?
C15 C14 H14 120.6 . . ?
C13 C14 H14 120.6 . . ?
C14 C13 C12 122.3(6) . . ?
C14 C13 H13 118.8 . . ?
C12 C13 H13 118.8 . . ?
C19 C20 N4 113.1(7) . . ?
C19 C20 H20 123.4 . . ?
N4 C20 H20 123.4 . . ?
C20 C19 C18 105.0(7) . . ?
C20 C19 H19 127.5 . . ?
C18 C19 H19 127.5 . . ?
N3 C18 C19 107.5(7) . . ?
N3 C18 H18 126.2 . . ?
C19 C18 H18 126.2 . . ?
O1 N5 O1 119.997(16) . 17 ?
O1 N5 O1 119.996(16) . 9 ?
O1 N5 O1 119.996(16) 17 9 ?

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
C20 N4 N3 C18 -1.0(7) . . . . ?
Ag1 N4 N3 C18 136.6(5) . . . . ?
C20 N4 N3 C15 -175.8(5) . . . . ?
Ag1 N4 N3 C15 -38.2(7) . . . . ?
C1 N2 N1 C3 0.8(11) . . . . ?
Ag1 N2 N1 C3 -173.2(9) 7 . . . ?
C1 N2 N1 C4 -178.7(7) . . . . ?
Ag1 N2 N1 C4 7.3(11) 7 . . . ?
N1 N2 C1 C2 0.0(11) . . . . ?
Ag1 N2 C1 C2 175.1(8) 7 . . . ?
N2 C1 C2 C3 -0.8(15) . . . . ?
N2 N1 C3 C2 -1.3(16) . . . . ?
C4 N1 C3 C2 178.2(10) . . . . ?
C1 C2 C3 N1 1.2(17) . . . . ?
C3 N1 C4 C9 -152.7(12) . . . . ?
N2 N1 C4 C9 26.7(11) . . . . ?
C3 N1 C4 C5 23.5(16) . . . . ?
N2 N1 C4 C5 -157.1(8) . . . . ?
C9 C4 C5 C6 0.6(13) . . . . ?
N1 C4 C5 C6 -175.6(8) . . . . ?
C4 C5 C6 C7 -3.3(14) . . . . ?
C5 C6 C7 C8 3.7(13) . . . . ?
C5 C6 C7 C10 -176.6(8) . . . . ?
C6 C7 C8 C9 -1.6(11) . . . . ?
C10 C7 C8 C9 178.8(7) . . . . ?
C7 C8 C9 C4 -1.0(12) . . . . ?
C5 C4 C9 C8 1.5(12) . . . . ?
N1 C4 C9 C8 177.7(7) . . . . ?
C6 C7 C10 C11 130.0(6) . . . . ?
C8 C7 C10 C11 -50.4(7) . . . . ?
C6 C7 C10 C7 -50.0(6) . . . 30_444 ?
C8 C7 C10 C7 129.6(7) . . . 30_444 ?
C7 C10 C11 C12 -6.9(4) 30_444 . . 30_444 ?
C7 C10 C11 C12 173.1(4) . . . 30_444 ?
C7 C10 C11 C12 173.1(4) 30_444 . . . ?
C7 C10 C11 C12 -6.9(4) . . . . ?
C10 C11 C12 C17 -52.1(7) . . . . ?
C12 C11 C12 C17 127.9(7) 30_444 . . . ?
C10 C11 C12 C13 128.0(5) . . . . ?
C12 C11 C12 C13 -52.0(5) 30_444 . . . ?
C13 C12 C17 C16 0.8(9) . . . . ?
C11 C12 C17 C16 -179.0(6) . . . . ?
C12 C17 C16 C15 0.2(10) . . . . ?
C17 C16 C15 C14 -1.0(9) . . . . ?
C17 C16 C15 N3 175.3(6) . . . . ?
C18 N3 C15 C14 -18.5(10) . . . . ?
N4 N3 C15 C14 155.3(6) . . . . ?
C18 N3 C15 C16 165.2(7) . . . . ?
N4 N3 C15 C16 -21.0(8) . . . . ?
C16 C15 C14 C13 0.7(9) . . . . ?
N3 C15 C14 C13 -175.4(6) . . . . ?
C15 C14 C13 C12 0.3(10) . . . . ?
C17 C12 C13 C14 -1.1(10) . . . . ?
C11 C12 C13 C14 178.8(6) . . . . ?
N3 N4 C20 C19 1.0(8) . . . . ?
Ag1 N4 C20 C19 -134.1(6) . . . . ?
N4 C20 C19 C18 -0.6(9) . . . . ?
N4 N3 C18 C19 0.7(8) . . . . ?
C15 N3 C18 C19 174.9(6) . . . . ?
C20 C19 C18 N3 -0.1(8) . . . . ?

_refine_diff_density_max         0.345
_refine_diff_density_min         -0.577
_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_7
_database_code_depnum_ccdc_archive 'CCDC 2047459'
loop_
_audit_author_name
_audit_author_address
'Wei-Yin Sun'
;Nanjing University
China
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H28 Ag2 N10 O6'
_chemical_formula_weight         936.44

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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

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

_cell_length_a                   9.953(2)
_cell_length_b                   13.918(3)
_cell_length_c                   25.775(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3570.5(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    6267
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      27.22

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_F_000             1872
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.161
_shelx_estimated_absorpt_T_min   0.873
_shelx_estimated_absorpt_T_max   0.913
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33591
_diffrn_reflns_av_unetI/netI     0.0767
_diffrn_reflns_av_R_equivalents  0.0820
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.154
_diffrn_reflns_theta_max         27.530
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8197
_reflns_number_gt                5723
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.788
_reflns_Friedel_fraction_max     0.996
_reflns_Friedel_fraction_full    1.000

_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0348P)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_abs_structure_details 
;
 Flack x determined using 1961 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.03(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8197
_refine_ls_number_parameters     505
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0431
_refine_ls_wR_factor_ref         0.1015
_refine_ls_wR_factor_gt          0.0826
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_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 0.74193(7) 0.45320(4) 0.30115(2) 0.03867(16) Uani 1 1 d . . . . .
Ag2 Ag 0.49997(8) 0.36779(4) 0.75169(3) 0.04947(17) Uani 1 1 d . . . . .
C1 C 0.3282(8) 0.4312(5) 0.5312(2) 0.0283(17) Uani 1 1 d . . . . .
C2 C 0.3588(8) 0.3518(5) 0.5051(2) 0.0289(17) Uani 1 1 d . . . . .
C3 C 0.2881(8) 0.4321(4) 0.5871(2) 0.0266(17) Uani 1 1 d . . . . .
C4 C 0.1761(8) 0.3803(5) 0.6037(3) 0.0335(17) Uani 1 1 d . . . . .
H4 H 0.120920 0.348510 0.578947 0.040 Uiso 1 1 calc R U . . .
C5 C 0.1447(8) 0.3748(5) 0.6560(2) 0.0306(16) Uani 1 1 d . . . . .
H5 H 0.069345 0.338551 0.667308 0.037 Uiso 1 1 calc R U . . .
C6 C 0.2238(8) 0.4222(4) 0.6912(2) 0.0284(17) Uani 1 1 d . . . . .
C7 C 0.3274(8) 0.4796(5) 0.6752(3) 0.0325(18) Uani 1 1 d . . . . .
H7 H 0.376592 0.515919 0.699975 0.039 Uiso 1 1 calc R U . . .
C8 C 0.3612(8) 0.4850(5) 0.6232(2) 0.0304(17) Uani 1 1 d . . . . .
H8 H 0.433656 0.524457 0.612187 0.037 Uiso 1 1 calc R U . . .
C9 C 0.3287(8) 0.5274(5) 0.5057(2) 0.0312(18) Uani 1 1 d . . . . .
C10 C 0.2129(9) 0.5833(5) 0.5075(3) 0.038(2) Uani 1 1 d . . . . .
H10 H 0.135869 0.559730 0.525133 0.045 Uiso 1 1 calc R U . . .
C11 C 0.2083(8) 0.6727(5) 0.4840(3) 0.035(2) Uani 1 1 d . . . . .
H11 H 0.128032 0.709540 0.485079 0.042 Uiso 1 1 calc R U . . .
C12 C 0.3198(9) 0.7081(5) 0.4591(3) 0.0305(18) Uani 1 1 d . . . . .
C13 C 0.4376(8) 0.6558(5) 0.4583(3) 0.0315(17) Uani 1 1 d . . . . .
H13 H 0.515179 0.680901 0.441650 0.038 Uiso 1 1 calc R U . . .
C14 C 0.4419(8) 0.5665(5) 0.4818(2) 0.0298(17) Uani 1 1 d . . . . .
H14 H 0.523546 0.531157 0.481784 0.036 Uiso 1 1 calc R U . . .
C15 C 0.3804(8) 0.3555(5) 0.4476(2) 0.0297(17) Uani 1 1 d . . . . .
C16 C 0.2750(8) 0.3740(5) 0.4135(2) 0.0369(18) Uani 1 1 d . . . . .
H16 H 0.187632 0.385426 0.426937 0.044 Uiso 1 1 calc R U . . .
C17 C 0.2951(8) 0.3760(5) 0.3603(2) 0.0331(17) Uani 1 1 d . . . . .
H17 H 0.222050 0.389007 0.337653 0.040 Uiso 1 1 calc R U . . .
C18 C 0.4209(8) 0.3590(5) 0.3404(2) 0.0276(16) Uani 1 1 d . . . . .
C19 C 0.5290(8) 0.3412(4) 0.3735(2) 0.0271(17) Uani 1 1 d . . . . .
H19 H 0.616398 0.331359 0.359686 0.033 Uiso 1 1 calc R U . . .
C20 C 0.5085(8) 0.3381(5) 0.4265(2) 0.0286(16) Uani 1 1 d . . . . .
H20 H 0.581644 0.323953 0.448859 0.034 Uiso 1 1 calc R U . . .
C21 C 0.3631(8) 0.2530(5) 0.5268(2) 0.0279(17) Uani 1 1 d . . . . .
C22 C 0.3230(9) 0.1737(5) 0.4971(3) 0.0330(19) Uani 1 1 d . . . . .
H22 H 0.298343 0.183803 0.461917 0.040 Uiso 1 1 calc R U . . .
C23 C 0.3180(9) 0.0827(5) 0.5164(3) 0.035(2) Uani 1 1 d . . . . .
H23 H 0.287126 0.031475 0.495190 0.042 Uiso 1 1 calc R U . . .
C24 C 0.3578(8) 0.0647(5) 0.5672(2) 0.0293(17) Uani 1 1 d . . . . .
C25 C 0.4074(8) 0.1404(5) 0.5972(2) 0.0301(17) Uani 1 1 d . . . . .
H25 H 0.440291 0.128406 0.631223 0.036 Uiso 1 1 calc R U . . .
C26 C 0.4085(8) 0.2324(5) 0.5775(3) 0.0313(18) Uani 1 1 d . . . . .
H26 H 0.440817 0.283388 0.598561 0.038 Uiso 1 1 calc R U . . .
C27 C 0.0758(9) 0.4013(5) 0.7685(3) 0.038(2) Uani 1 1 d . . . . .
H27 H -0.009278 0.402805 0.751865 0.046 Uiso 1 1 calc R U . . .
C28 C 0.0986(10) 0.3871(6) 0.8207(3) 0.048(2) Uani 1 1 d . . . . .
H28 H 0.033937 0.377266 0.847339 0.057 Uiso 1 1 calc R U . . .
C29 C 0.2382(12) 0.3906(6) 0.8256(2) 0.050(2) Uani 1 1 d . . . . .
H29 H 0.284557 0.382540 0.857530 0.060 Uiso 1 1 calc R U . . .
C30 C 0.2034(9) 0.8447(6) 0.4152(3) 0.046(2) Uani 1 1 d . . . . .
H30 H 0.114336 0.820273 0.413820 0.055 Uiso 1 1 calc R U . . .
C31 C 0.2465(12) 0.9335(5) 0.3982(3) 0.045(2) Uani 1 1 d . . . . .
H31 H 0.193820 0.982765 0.382847 0.054 Uiso 1 1 calc R U . . .
C32 C 0.3815(9) 0.9352(5) 0.4081(3) 0.0367(19) Uani 1 1 d . . . . .
H32 H 0.437641 0.988571 0.400432 0.044 Uiso 1 1 calc R U . . .
C33 C 0.3546(9) 0.3376(5) 0.2481(3) 0.0365(18) Uani 1 1 d . . . . .
H33 H 0.262733 0.321068 0.252760 0.044 Uiso 1 1 calc R U . . .
C34 C 0.4226(9) 0.3445(5) 0.2015(3) 0.043(2) Uani 1 1 d . . . . .
H34 H 0.388007 0.333777 0.167637 0.051 Uiso 1 1 calc R U . . .
C35 C 0.5510(9) 0.3701(6) 0.2149(3) 0.040(2) Uani 1 1 d . . . . .
H35 H 0.620739 0.380460 0.190366 0.048 Uiso 1 1 calc R U . . .
C36 C 0.3673(9) -0.1142(5) 0.5607(3) 0.042(2) Uani 1 1 d . . . . .
H36 H 0.393463 -0.119955 0.525412 0.051 Uiso 1 1 calc R U . . .
C37 C 0.3412(9) -0.1881(5) 0.5930(3) 0.041(2) Uani 1 1 d . . . . .
H37 H 0.343328 -0.254844 0.585403 0.050 Uiso 1 1 calc R U . . .
C38 C 0.3103(9) -0.1438(5) 0.6405(3) 0.039(2) Uani 1 1 d . . . . .
H38 H 0.289593 -0.177689 0.671421 0.047 Uiso 1 1 calc R U . . .
N1 N 0.1958(7) 0.4127(4) 0.7456(2) 0.0309(14) Uani 1 1 d . . . . .
N2 N 0.2986(7) 0.4063(4) 0.7807(2) 0.0389(17) Uani 1 1 d . . . . .
N3 N 0.3130(7) 0.7991(4) 0.4343(2) 0.0332(16) Uani 1 1 d . . . . .
N4 N 0.4261(7) 0.8541(4) 0.4298(2) 0.0362(16) Uani 1 1 d . . . . .
N5 N 0.4441(7) 0.3588(4) 0.2859(2) 0.0304(15) Uani 1 1 d . . . . .
N6 N 0.5675(7) 0.3789(5) 0.26574(19) 0.0334(15) Uani 1 1 d . . . . .
N7 N 0.3499(7) -0.0297(4) 0.5870(2) 0.0324(15) Uani 1 1 d . . . . .
N8 N 0.3135(7) -0.0502(4) 0.63686(19) 0.0350(15) Uani 1 1 d . . . . .
N9 N 0.7348(8) 0.3732(4) 0.6903(3) 0.0460(16) Uani 1 1 d . . . . .
N10 N 0.9410(8) 0.3441(5) 0.2359(3) 0.0457(19) Uani 1 1 d . . . . .
O1 O 0.6280(7) 0.3587(5) 0.6661(2) 0.0585(18) Uani 1 1 d . . . . .
O2 O 0.7301(7) 0.3800(3) 0.73975(19) 0.0519(16) Uani 1 1 d . . . . .
O3 O 0.8419(7) 0.3819(5) 0.6679(3) 0.074(2) Uani 1 1 d . . . . .
O4 O 0.8919(8) 0.4252(4) 0.2255(3) 0.066(2) Uani 1 1 d . . . . .
O5 O 0.9090(9) 0.3052(5) 0.2761(2) 0.078(3) Uani 1 1 d . . . . .
O6 O 1.0170(8) 0.3029(4) 0.2046(3) 0.073(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 N8 2.210(5) 4_556 ?
Ag1 N6 2.217(6) . ?
Ag1 O4 2.487(6) . ?
Ag2 N2 2.205(7) . ?
Ag2 O2 2.318(7) . ?
Ag2 O1 2.550(6) . ?
C1 C2 1.329(9) . ?
C1 C9 1.493(9) . ?
C1 C3 1.493(9) . ?
C2 C21 1.486(9) . ?
C2 C15 1.497(9) . ?
C3 C8 1.391(9) . ?
C3 C4 1.395(10) . ?
C4 C5 1.387(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.372(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.367(10) . ?
C6 N1 1.434(8) . ?
C7 C8 1.386(9) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.390(10) . ?
C9 C14 1.393(10) . ?
C10 C11 1.385(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.373(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(11) . ?
C12 N3 1.420(8) . ?
C13 C14 1.384(9) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.393(10) . ?
C15 C20 1.408(11) . ?
C16 C17 1.386(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.373(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.395(10) . ?
C18 N5 1.425(8) . ?
C19 C20 1.380(8) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.402(10) . ?
C21 C26 1.411(9) . ?
C22 C23 1.361(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.398(9) . ?
C24 N7 1.412(8) . ?
C25 C26 1.378(9) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 N1 1.342(10) . ?
C27 C28 1.379(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.397(14) . ?
C28 H28 0.9500 . ?
C29 N2 1.323(9) . ?
C29 H29 0.9500 . ?
C30 N3 1.355(10) . ?
C30 C31 1.380(10) . ?
C30 H30 0.9500 . ?
C31 C32 1.368(13) . ?
C31 H31 0.9500 . ?
C32 N4 1.335(9) . ?
C32 H32 0.9500 . ?
C33 N5 1.352(9) . ?
C33 C34 1.383(11) . ?
C33 H33 0.9500 . ?
C34 C35 1.371(12) . ?
C34 H34 0.9500 . ?
C35 N6 1.326(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.347(10) . ?
C36 N7 1.369(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.404(10) . ?
C37 H37 0.9500 . ?
C38 N8 1.305(9) . ?
C38 H38 0.9500 . ?
N1 N2 1.370(8) . ?
N3 N4 1.367(9) . ?
N5 N6 1.363(9) . ?
N7 N8 1.365(7) . ?
N9 O3 1.219(9) . ?
N9 O1 1.250(9) . ?
N9 O2 1.278(7) . ?
N10 O5 1.211(9) . ?
N10 O6 1.245(9) . ?
N10 O4 1.259(9) . ?

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
N8 Ag1 N6 146.6(2) 4_556 . ?
N8 Ag1 O4 118.0(2) 4_556 . ?
N6 Ag1 O4 94.2(2) . . ?
N2 Ag2 O2 157.7(2) . . ?
N2 Ag2 O1 139.4(2) . . ?
O2 Ag2 O1 52.78(19) . . ?
C2 C1 C9 121.4(6) . . ?
C2 C1 C3 123.8(6) . . ?
C9 C1 C3 114.7(5) . . ?
C1 C2 C21 125.8(6) . . ?
C1 C2 C15 120.4(6) . . ?
C21 C2 C15 113.6(6) . . ?
C8 C3 C4 119.1(6) . . ?
C8 C3 C1 120.6(7) . . ?
C4 C3 C1 120.3(6) . . ?
C5 C4 C3 120.4(7) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C6 C5 C4 119.3(7) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C7 C6 C5 120.9(6) . . ?
C7 C6 N1 119.7(6) . . ?
C5 C6 N1 119.4(6) . . ?
C6 C7 C8 120.5(7) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C7 C8 C3 119.5(7) . . ?
C7 C8 H8 120.3 . . ?
C3 C8 H8 120.3 . . ?
C10 C9 C14 117.8(6) . . ?
C10 C9 C1 118.9(7) . . ?
C14 C9 C1 123.2(7) . . ?
C11 C10 C9 121.0(7) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C12 C11 C10 120.0(8) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.3(6) . . ?
C11 C12 N3 119.5(7) . . ?
C13 C12 N3 120.3(7) . . ?
C14 C13 C12 119.5(7) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C9 121.2(7) . . ?
C13 C14 H14 119.4 . . ?
C9 C14 H14 119.4 . . ?
C16 C15 C20 117.9(6) . . ?
C16 C15 C2 121.5(7) . . ?
C20 C15 C2 120.5(6) . . ?
C17 C16 C15 121.4(7) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C18 C17 C16 119.8(7) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 120.4(6) . . ?
C17 C18 N5 121.1(6) . . ?
C19 C18 N5 118.6(7) . . ?
C20 C19 C18 119.7(7) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C15 120.8(7) . . ?
C19 C20 H20 119.6 . . ?
C15 C20 H20 119.6 . . ?
C22 C21 C26 115.9(6) . . ?
C22 C21 C2 121.0(6) . . ?
C26 C21 C2 123.1(6) . . ?
C23 C22 C21 122.9(6) . . ?
C23 C22 H22 118.6 . . ?
C21 C22 H22 118.6 . . ?
C22 C23 C24 120.1(7) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C25 119.2(6) . . ?
C23 C24 N7 119.5(6) . . ?
C25 C24 N7 121.3(6) . . ?
C26 C25 C24 119.9(6) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C21 121.9(7) . . ?
C25 C26 H26 119.1 . . ?
C21 C26 H26 119.1 . . ?
N1 C27 C28 107.6(8) . . ?
N1 C27 H27 126.2 . . ?
C28 C27 H27 126.2 . . ?
C27 C28 C29 104.2(7) . . ?
C27 C28 H28 127.9 . . ?
C29 C28 H28 127.9 . . ?
N2 C29 C28 112.3(8) . . ?
N2 C29 H29 123.8 . . ?
C28 C29 H29 123.8 . . ?
N3 C30 C31 106.5(8) . . ?
N3 C30 H30 126.7 . . ?
C31 C30 H30 126.7 . . ?
C32 C31 C30 105.2(8) . . ?
C32 C31 H31 127.4 . . ?
C30 C31 H31 127.4 . . ?
N4 C32 C31 112.9(7) . . ?
N4 C32 H32 123.5 . . ?
C31 C32 H32 123.5 . . ?
N5 C33 C34 106.7(8) . . ?
N5 C33 H33 126.6 . . ?
C34 C33 H33 126.6 . . ?
C35 C34 C33 104.8(7) . . ?
C35 C34 H34 127.6 . . ?
C33 C34 H34 127.6 . . ?
N6 C35 C34 112.9(7) . . ?
N6 C35 H35 123.6 . . ?
C34 C35 H35 123.6 . . ?
C37 C36 N7 109.0(6) . . ?
C37 C36 H36 125.5 . . ?
N7 C36 H36 125.5 . . ?
C36 C37 C38 104.2(6) . . ?
C36 C37 H37 127.9 . . ?
C38 C37 H37 127.9 . . ?
N8 C38 C37 111.8(6) . . ?
N8 C38 H38 124.1 . . ?
C37 C38 H38 124.1 . . ?
C27 N1 N2 111.4(6) . . ?
C27 N1 C6 128.0(7) . . ?
N2 N1 C6 120.4(6) . . ?
C29 N2 N1 104.5(8) . . ?
C29 N2 Ag2 132.0(6) . . ?
N1 N2 Ag2 118.1(4) . . ?
C30 N3 N4 111.7(6) . . ?
C30 N3 C12 128.3(7) . . ?
N4 N3 C12 120.0(7) . . ?
C32 N4 N3 103.7(7) . . ?
C33 N5 N6 111.4(6) . . ?
C33 N5 C18 127.1(7) . . ?
N6 N5 C18 121.4(6) . . ?
C35 N6 N5 104.2(6) . . ?
C35 N6 Ag1 123.2(5) . . ?
N5 N6 Ag1 130.2(4) . . ?
C36 N7 N8 108.6(5) . . ?
C36 N7 C24 127.9(6) . . ?
N8 N7 C24 123.4(5) . . ?
C38 N8 N7 106.4(5) . . ?
C38 N8 Ag1 123.4(5) . 4_456 ?
N7 N8 Ag1 129.6(4) . 4_456 ?
O3 N9 O1 121.6(7) . . ?
O3 N9 O2 119.8(9) . . ?
O1 N9 O2 118.6(8) . . ?
O5 N10 O6 120.6(7) . . ?
O5 N10 O4 118.7(8) . . ?
O6 N10 O4 120.7(8) . . ?
N9 O1 Ag2 89.1(4) . . ?
N9 O2 Ag2 99.4(5) . . ?
N10 O4 Ag1 101.9(5) . . ?

_refine_diff_density_max         0.565
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.091

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2047457'
loop_
_audit_author_name
_audit_author_address
'Wei-Yin Sun'
;Nanjing University
China
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C114 H84 Ag3 F12 N24 O0 P2'
_chemical_formula_weight         2403.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           214
_space_group_name_H-M_alt        'I 41 3 2'
_space_group_name_Hall           'I 4bd 2c 3'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'y+3/4, x+1/4, -z+1/4'
'-y+3/4, -x+3/4, -z+3/4'
'y+1/4, -x+1/4, z+3/4'
'-y+1/4, x+3/4, z+1/4'
'x+3/4, z+1/4, -y+1/4'
'-x+1/4, z+3/4, y+1/4'
'-x+3/4, -z+3/4, -y+3/4'
'x+1/4, -z+1/4, y+3/4'
'z+3/4, y+1/4, -x+1/4'
'z+1/4, -y+1/4, x+3/4'
'-z+1/4, y+3/4, x+1/4'
'-z+3/4, -y+3/4, -x+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-x+1/2, y+1, -z+1'
'x+1, -y+1, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1, -x+1, -y+1/2'
'-z+1, -x+1/2, y+1'
'-z+1/2, x+1, -y+1'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1, -x+1'
'y+1, -z+1, -x+1/2'
'-y+1, -z+1/2, x+1'
'y+5/4, x+3/4, -z+3/4'
'-y+5/4, -x+5/4, -z+5/4'
'y+3/4, -x+3/4, z+5/4'
'-y+3/4, x+5/4, z+3/4'
'x+5/4, z+3/4, -y+3/4'
'-x+3/4, z+5/4, y+3/4'
'-x+5/4, -z+5/4, -y+5/4'
'x+3/4, -z+3/4, y+5/4'
'z+5/4, y+3/4, -x+3/4'
'z+3/4, -y+3/4, x+5/4'
'-z+3/4, y+5/4, x+3/4'
'-z+5/4, -y+5/4, -x+5/4'

_cell_length_a                   28.6728(6)
_cell_length_b                   28.6728(6)
_cell_length_c                   28.6728(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     23572.8(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9652
_cell_measurement_theta_min      3.28
_cell_measurement_theta_max      48.45

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_F_000             9720
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.272
_shelx_estimated_absorpt_T_min   0.695
_shelx_estimated_absorpt_T_max   0.780
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            85814
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.896
_diffrn_reflns_theta_max         53.927
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             3619
_reflns_number_gt                3206
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.735
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1017P)²+11.8277P] 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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00032(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.04(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3619
_refine_ls_number_parameters     237
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0570
_refine_ls_wR_factor_ref         0.1597
_refine_ls_wR_factor_gt          0.1528
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_restrained_S_all      1.326
_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 -0.05477(2) 0.625000 0.69523(2) 0.0793(3) Uani 1 2 d S T P . .
P1 P 0.17759(8) 0.67759(8) 0.82241(8) 0.0924(10) Uani 1 3 d S TU P . .
C5 C 0.0266(3) 0.6934(2) 0.6644(3) 0.0701(16) Uani 1 1 d . . . . .
H5 H -0.005389 0.701987 0.663977 0.084 Uiso 1 1 calc R U . . .
N2 N 0.0238(2) 0.68693(18) 0.7488(2) 0.0706(14) Uani 1 1 d . . . . .
N1 N -0.0238(2) 0.6809(2) 0.7485(2) 0.0801(16) Uani 1 1 d . . . . .
C8 C 0.1194(2) 0.6690(2) 0.6654(2) 0.0675(15) Uani 1 1 d . . . . .
H8 H 0.151438 0.660572 0.666177 0.081 Uiso 1 1 calc R U . . .
C7 C 0.0981(2) 0.6765(2) 0.6226(2) 0.0611(14) Uani 1 1 d . . . . .
N4 N 0.2099(3) 0.6323(3) 0.3469(2) 0.098(2) Uani 1 1 d . U . . .
C13 C 0.1346(3) 0.6583(3) 0.4718(2) 0.0736(17) Uani 1 1 d . . . . .
H13 H 0.112385 0.636409 0.483073 0.088 Uiso 1 1 calc R U . . .
C4 C 0.0492(2) 0.68493(19) 0.7064(2) 0.0636(15) Uani 1 1 d . . . . .
C12 C 0.1458(3) 0.6968(2) 0.4984(2) 0.0688(15) Uani 1 1 d . . . . .
C2 C 0.0017(4) 0.6881(3) 0.8227(3) 0.092(2) Uani 1 1 d . . . . .
H2 H 0.001415 0.690204 0.855713 0.110 Uiso 1 1 calc R U . . .
C17 C 0.1788(3) 0.7291(3) 0.4800(3) 0.087(2) Uani 1 1 d . . . . .
H17 H 0.186926 0.756170 0.497235 0.104 Uiso 1 1 calc R U . . .
C6 C 0.0513(2) 0.6892(2) 0.6233(2) 0.0681(14) Uani 1 1 d . . . . .
H6 H 0.035834 0.695183 0.594566 0.082 Uiso 1 1 calc R U . . .
C10 C 0.125000 0.6716(2) 0.5784(2) 0.067(2) Uani 1 2 d S T P . .
C14 C 0.1556(3) 0.6514(3) 0.4285(2) 0.0800(19) Uani 1 1 d . . . . .
H14 H 0.147451 0.624858 0.410461 0.096 Uiso 1 1 calc R U . . .
C3 C 0.0397(3) 0.6904(3) 0.7930(3) 0.088(2) Uani 1 1 d . . . . .
H3 H 0.071352 0.693744 0.802150 0.105 Uiso 1 1 calc R U . . .
C11 C 0.125000 0.7054(2) 0.5446(2) 0.067(2) Uani 1 2 d S T P . .
N3 N 0.2082(4) 0.6745(3) 0.3667(3) 0.111(2) Uani 1 1 d . U . . .
C16 C 0.1987(4) 0.7210(3) 0.4377(3) 0.100(3) Uani 1 1 d . . . . .
H16 H 0.220814 0.742597 0.425740 0.120 Uiso 1 1 calc R U . . .
C15 C 0.1873(3) 0.6819(3) 0.4119(3) 0.086(2) Uani 1 1 d . . . . .
C20 C 0.2292(5) 0.6395(4) 0.3062(4) 0.119(3) Uani 1 1 d . U . . .
H20 H 0.234030 0.615728 0.283628 0.143 Uiso 1 1 calc R U . . .
C9 C 0.0953(3) 0.6736(2) 0.7074(2) 0.0702(16) Uani 1 1 d . . . . .
H9 H 0.110771 0.668785 0.736273 0.084 Uiso 1 1 calc R U . . .
C1 C -0.0342(3) 0.6821(3) 0.7940(3) 0.089(2) Uani 1 1 d . . . . .
H1 H -0.065220 0.678930 0.805059 0.107 Uiso 1 1 calc R U . . .
F1 F 0.1842(4) 0.6470(4) 0.7819(3) 0.184(3) Uani 1 1 d . U . . .
C19 C 0.2411(5) 0.6838(5) 0.2998(4) 0.135(3) Uani 1 1 d . U . . .
H19 H 0.257413 0.696620 0.273979 0.161 Uiso 1 1 calc R U . . .
C18 C 0.2254(5) 0.7067(5) 0.3377(4) 0.136(3) Uani 1 1 d . U . . .
H18 H 0.226355 0.739398 0.342812 0.164 Uiso 1 1 calc R U . . .
F2 F 0.1375(5) 0.6826(5) 0.8587(5) 0.235(4) Uani 1 1 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
Ag1 N1 2.385(6) 22_465 ?
Ag1 N1 2.385(6) . ?
Ag1 N4 2.402(8) 12_565 ?
Ag1 N4 2.402(8) 17_456 ?
P1 F1 1.468(10) . ?
P1 F1 1.468(10) 8_656 ?
P1 F1 1.468(10) 11_466 ?
P1 F2 1.557(12) . ?
P1 F2 1.557(12) 8_656 ?
P1 F2 1.557(12) 11_466 ?
C5 C6 1.380(10) . ?
C5 C4 1.388(10) . ?
C5 H5 0.9500 . ?
N2 C3 1.350(10) . ?
N2 N1 1.376(9) . ?
N2 C4 1.421(8) . ?
N1 C1 1.338(11) . ?
C8 C7 1.389(10) . ?
C8 C9 1.394(9) . ?
C8 H8 0.9500 . ?
C7 C6 1.391(9) . ?
C7 C10 1.489(8) . ?
N4 C20 1.308(11) . ?
N4 N3 1.338(11) . ?
C13 C12 1.379(10) . ?
C13 C14 1.395(10) . ?
C13 H13 0.9500 . ?
C4 C9 1.361(10) . ?
C12 C17 1.426(10) . ?
C12 C11 1.473(8) . ?
C2 C1 1.329(14) . ?
C2 C3 1.381(12) . ?
C2 H2 0.9500 . ?
C17 C16 1.359(12) . ?
C17 H17 0.9500 . ?
C6 H6 0.9500 . ?
C10 C11 1.372(14) . ?
C14 C15 1.348(11) . ?
C14 H14 0.9500 . ?
C3 H3 0.9500 . ?
N3 C18 1.337(13) . ?
N3 C15 1.443(10) . ?
C16 C15 1.384(12) . ?
C16 H16 0.9500 . ?
C20 C19 1.327(17) . ?
C20 H20 0.9500 . ?
C9 H9 0.9500 . ?
C1 H1 0.9500 . ?
F1 F2 1.620(16) 8_656 ?
C19 C18 1.347(17) . ?
C19 H19 0.9500 . ?
C18 H18 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N1 88.6(3) 22_465 . ?
N1 Ag1 N4 138.8(3) 22_465 12_565 ?
N1 Ag1 N4 90.4(2) . 12_565 ?
N1 Ag1 N4 90.4(2) 22_465 17_456 ?
N1 Ag1 N4 138.8(3) . 17_456 ?
N4 Ag1 N4 116.0(4) 12_565 17_456 ?
F1 P1 F1 116.6(3) . 8_656 ?
F1 P1 F1 116.6(3) . 11_466 ?
F1 P1 F1 116.6(3) 8_656 11_466 ?
F1 P1 F2 132.8(8) . . ?
F1 P1 F2 100.0(8) 8_656 . ?
F1 P1 F2 64.7(7) 11_466 . ?
F1 P1 F2 64.7(7) . 8_656 ?
F1 P1 F2 132.8(8) 8_656 8_656 ?
F1 P1 F2 100.0(8) 11_466 8_656 ?
F2 P1 F2 68.7(9) . 8_656 ?
F1 P1 F2 100.0(8) . 11_466 ?
F1 P1 F2 64.7(7) 8_656 11_466 ?
F1 P1 F2 132.8(8) 11_466 11_466 ?
F2 P1 F2 68.7(9) . 11_466 ?
F2 P1 F2 68.7(9) 8_656 11_466 ?
C6 C5 C4 119.1(7) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
C3 N2 N1 110.6(6) . . ?
C3 N2 C4 129.4(7) . . ?
N1 N2 C4 119.8(6) . . ?
C1 N1 N2 102.1(7) . . ?
C1 N1 Ag1 124.0(5) . . ?
N2 N1 Ag1 117.3(4) . . ?
C7 C8 C9 122.0(6) . . ?
C7 C8 H8 119.0 . . ?
C9 C8 H8 119.0 . . ?
C6 C7 C8 116.9(6) . . ?
C6 C7 C10 122.5(6) . . ?
C8 C7 C10 120.6(5) . . ?
C20 N4 N3 104.6(8) . . ?
C20 N4 Ag1 121.3(7) . 6_456 ?
N3 N4 Ag1 133.5(5) . 6_456 ?
C12 C13 C14 120.3(7) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C9 C4 C5 120.9(6) . . ?
C9 C4 N2 119.3(6) . . ?
C5 C4 N2 119.8(6) . . ?
C13 C12 C17 118.0(6) . . ?
C13 C12 C11 122.4(6) . . ?
C17 C12 C11 119.6(6) . . ?
C1 C2 C3 103.6(8) . . ?
C1 C2 H2 128.2 . . ?
C3 C2 H2 128.2 . . ?
C16 C17 C12 119.9(8) . . ?
C16 C17 H17 120.0 . . ?
C12 C17 H17 120.0 . . ?
C7 C6 C5 122.0(6) . . ?
C7 C6 H6 119.0 . . ?
C5 C6 H6 119.0 . . ?
C11 C10 C7 122.3(4) . 43_455 ?
C11 C10 C7 122.3(4) . . ?
C7 C10 C7 115.5(7) 43_455 . ?
C15 C14 C13 121.0(7) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
N2 C3 C2 107.9(9) . . ?
N2 C3 H3 126.0 . . ?
C2 C3 H3 126.0 . . ?
C10 C11 C12 121.1(4) . 43_455 ?
C10 C11 C12 121.1(4) . . ?
C12 C11 C12 117.8(8) 43_455 . ?
N4 N3 C18 110.2(8) . . ?
N4 N3 C15 122.0(7) . . ?
C18 N3 C15 127.7(9) . . ?
C17 C16 C15 121.0(8) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C14 C15 C16 119.8(7) . . ?
C14 C15 N3 120.1(8) . . ?
C16 C15 N3 120.1(8) . . ?
N4 C20 C19 112.5(10) . . ?
N4 C20 H20 123.7 . . ?
C19 C20 H20 123.7 . . ?
C4 C9 C8 119.1(6) . . ?
C4 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C2 C1 N1 115.8(8) . . ?
C2 C1 H1 122.1 . . ?
N1 C1 H1 122.1 . . ?
P1 F1 F2 60.3(6) . 8_656 ?
C18 C19 C20 105.6(10) . . ?
C18 C19 H19 127.2 . . ?
C20 C19 H19 127.2 . . ?
C19 C18 N3 106.8(12) . . ?
C19 C18 H18 126.6 . . ?
N3 C18 H18 126.6 . . ?
P1 F2 F1 55.0(6) . 11_466 ?

_refine_diff_density_max         0.489
_refine_diff_density_min         -0.787
_refine_diff_density_rms         0.102


####################################################################### 
# 
# 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 2047455'
loop_
_audit_author_name
_audit_author_address
'Wei-Yin Sun'
;Nanjing University
China
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H28 Ag2 F6 N8 O6 S2'
_chemical_formula_weight         1110.56

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 '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                   10.9590(11)
_cell_length_b                   11.9156(12)
_cell_length_c                   19.0477(19)
_cell_angle_alpha                104.755(3)
_cell_angle_beta                 91.935(3)
_cell_angle_gamma                105.054(3)
_cell_volume                     2309.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9775
_cell_measurement_theta_min      3.53
_cell_measurement_theta_max      53.84
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_F_000             1104
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    5.631
_shelx_estimated_absorpt_T_min   0.551
_shelx_estimated_absorpt_T_max   0.662
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31081
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.099
_diffrn_reflns_theta_max         53.890
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             8321
_reflns_number_gt                7771
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0479P)²+1.7079P] 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         8321
_refine_ls_number_parameters     650
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0296
_refine_ls_wR_factor_ref         0.0857
_refine_ls_wR_factor_gt          0.0840
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_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 0.55466(2) 0.85354(2) 0.46632(2) 0.04066(7) Uani 1 1 d . . . . .
Ag2 Ag -0.38949(2) 0.20809(2) 0.04632(2) 0.04612(8) Uani 1 1 d . . . . .
C1 C 0.4894(3) 0.9340(3) 0.62632(15) 0.0456(6) Uani 1 1 d . . . . .
H1 H 0.576142 0.975813 0.642297 0.055 Uiso 1 1 calc R U . . .
C2 C 0.3959(3) 0.9154(3) 0.67246(15) 0.0510(7) Uani 1 1 d . . . . .
H2 H 0.405256 0.941161 0.724308 0.061 Uiso 1 1 calc R U . . .
C3 C 0.2878(3) 0.8522(3) 0.62732(15) 0.0535(7) Uani 1 1 d . . . . .
H3 H 0.206129 0.824676 0.642264 0.064 Uiso 1 1 calc R U . . .
C4 C 0.2351(2) 0.7709(2) 0.49169(13) 0.0384(5) Uani 1 1 d . . . . .
C5 C 0.1598(3) 0.6548(2) 0.48435(15) 0.0436(6) Uani 1 1 d . . . . .
H5 H 0.156300 0.620392 0.524351 0.052 Uiso 1 1 calc R U . . .
C6 C 0.0898(2) 0.5894(2) 0.41801(15) 0.0417(6) Uani 1 1 d . . . . .
H6 H 0.036328 0.510364 0.412989 0.050 Uiso 1 1 calc R U . . .
C7 C 0.0968(2) 0.6376(2) 0.35867(14) 0.0354(5) Uani 1 1 d . . . . .
C8 C 0.1646(2) 0.7582(2) 0.36920(14) 0.0398(6) Uani 1 1 d . . . . .
H8 H 0.163407 0.795146 0.330568 0.048 Uiso 1 1 calc R U . . .
C9 C 0.2337(2) 0.8242(2) 0.43573(14) 0.0399(6) Uani 1 1 d . . . . .
H9 H 0.279980 0.906274 0.442714 0.048 Uiso 1 1 calc R U . . .
C10 C 0.0426(2) 0.5592(2) 0.28395(14) 0.0359(5) Uani 1 1 d . . . . .
C11 C -0.0938(2) 0.4877(2) 0.27319(13) 0.0348(5) Uani 1 1 d . . . . .
C12 C -0.1888(3) 0.5441(2) 0.29028(16) 0.0456(6) Uani 1 1 d . . . . .
H12 H -0.167294 0.626725 0.317276 0.055 Uiso 1 1 calc R U . . .
C13 C -0.3148(3) 0.4809(2) 0.26829(16) 0.0461(6) Uani 1 1 d . . . . .
H13 H -0.379544 0.520729 0.278166 0.055 Uiso 1 1 calc R U . . .
C14 C -0.3459(2) 0.3596(2) 0.23186(13) 0.0350(5) Uani 1 1 d . . . . .
C15 C -0.2541(2) 0.2990(2) 0.22052(13) 0.0342(5) Uani 1 1 d . . . . .
H15 H -0.276927 0.214189 0.198971 0.041 Uiso 1 1 calc R U . . .
C16 C -0.1283(2) 0.3637(2) 0.24107(13) 0.0350(5) Uani 1 1 d . . . . .
H16 H -0.064114 0.322796 0.233116 0.042 Uiso 1 1 calc R U . . .
C17 C -0.5783(3) 0.2959(3) 0.24257(16) 0.0481(7) Uani 1 1 d . . . . .
H17 H -0.578159 0.334563 0.292786 0.058 Uiso 1 1 calc R U . . .
C18 C -0.6829(3) 0.2287(3) 0.19441(17) 0.0499(7) Uani 1 1 d . . . . .
H18 H -0.769256 0.211187 0.204166 0.060 Uiso 1 1 calc R U . . .
C19 C -0.6359(3) 0.1918(2) 0.12850(16) 0.0433(6) Uani 1 1 d . . . . .
H19 H -0.687212 0.143331 0.084584 0.052 Uiso 1 1 calc R U . . .
C20 C 0.8017(3) 0.8891(3) 0.38527(16) 0.0441(6) Uani 1 1 d . . . . .
H20 H 0.855240 0.925520 0.429924 0.053 Uiso 1 1 calc R U . . .
C21 C 0.8428(3) 0.8842(3) 0.31679(16) 0.0451(6) Uani 1 1 d . . . . .
H21 H 0.926808 0.915002 0.305882 0.054 Uiso 1 1 calc R U . . .
C22 C 0.7365(2) 0.8253(2) 0.26819(15) 0.0401(6) Uani 1 1 d . . . . .
H22 H 0.732586 0.807411 0.216489 0.048 Uiso 1 1 calc R U . . .
C23 C 0.5102(2) 0.7298(2) 0.28244(13) 0.0320(5) Uani 1 1 d . . . . .
C24 C 0.4507(2) 0.6442(2) 0.31703(12) 0.0317(5) Uani 1 1 d . . . . .
H24 H 0.496858 0.628445 0.354813 0.038 Uiso 1 1 calc R U . . .
C25 C 0.3245(2) 0.5822(2) 0.29638(13) 0.0338(5) Uani 1 1 d . . . . .
H25 H 0.284053 0.523000 0.319759 0.041 Uiso 1 1 calc R U . . .
C26 C 0.2556(2) 0.6054(2) 0.24154(13) 0.0328(5) Uani 1 1 d . . . . .
C27 C 0.3190(2) 0.6849(2) 0.20398(14) 0.0379(5) Uani 1 1 d . . . . .
H27 H 0.274770 0.695649 0.163552 0.045 Uiso 1 1 calc R U . . .
C28 C 0.4459(2) 0.7488(2) 0.22442(13) 0.0379(5) Uani 1 1 d . . . . .
H28 H 0.487864 0.804515 0.199178 0.045 Uiso 1 1 calc R U . . .
C29 C 0.1150(2) 0.5516(2) 0.22776(13) 0.0342(5) Uani 1 1 d . . . . .
C30 C 0.0593(2) 0.4842(2) 0.15145(13) 0.0335(5) Uani 1 1 d . . . . .
C31 C -0.0517(2) 0.4993(2) 0.12205(14) 0.0363(5) Uani 1 1 d . . . . .
H31 H -0.083636 0.563571 0.147310 0.044 Uiso 1 1 calc R U . . .
C32 C -0.1163(2) 0.4219(2) 0.05644(13) 0.0354(5) Uani 1 1 d . . . . .
H32 H -0.191653 0.433046 0.036686 0.042 Uiso 1 1 calc R U . . .
C33 C -0.0695(2) 0.3285(2) 0.02030(13) 0.0338(5) Uani 1 1 d . . . . .
C34 C 0.0468(2) 0.3183(2) 0.04485(14) 0.0381(5) Uani 1 1 d . . . . .
H34 H 0.081891 0.258055 0.017317 0.046 Uiso 1 1 calc R U . . .
C35 C 0.1110(2) 0.3968(2) 0.10991(14) 0.0374(5) Uani 1 1 d . . . . .
H35 H 0.191342 0.391189 0.126530 0.045 Uiso 1 1 calc R U . . .
C36 C -0.0994(3) 0.1856(2) -0.10458(14) 0.0409(6) Uani 1 1 d . . . . .
H36 H -0.014227 0.204189 -0.116405 0.049 Uiso 1 1 calc R U . . .
C37 C -0.2011(3) 0.0989(2) -0.14698(14) 0.0443(6) Uani 1 1 d . . . . .
H37 H -0.201519 0.046008 -0.193740 0.053 Uiso 1 1 calc R U . . .
C38 C -0.3032(3) 0.1054(2) -0.10657(14) 0.0411(6) Uani 1 1 d . . . . .
H38 H -0.387360 0.055103 -0.122265 0.049 Uiso 1 1 calc R U . . .
C39 C 0.1607(3) -0.0034(3) 0.90836(19) 0.0554(7) Uani 1 1 d . . . . .
C40 C 0.9037(7) 0.7751(7) 0.5690(6) 0.070(2) Uani 0.475(4) 1 d . . P A 1
C40' C 0.8799(6) 0.7652(7) 0.6261(5) 0.0676(19) Uani 0.525(4) 1 d . . P A 2
F1 F 0.0909(3) 0.0132(3) 0.85603(18) 0.1224(11) Uani 1 1 d . . . . .
F2 F 0.1419(2) -0.12072(17) 0.89680(13) 0.0789(6) Uani 1 1 d . . . . .
F3 F 0.1172(2) 0.0371(2) 0.97093(15) 0.1035(9) Uani 1 1 d . . . . .
F4 F 0.8596(6) 0.6936(6) 0.5082(5) 0.113(3) Uani 0.475(4) 1 d . . P A 1
F5 F 1.0002(4) 0.8579(4) 0.5540(3) 0.0873(17) Uani 0.475(4) 1 d . . P A 1
F6 F 0.9548(13) 0.7317(13) 0.6164(9) 0.158(6) Uani 0.475(4) 1 d . . P A 1
F4' F 0.9076(13) 0.6903(8) 0.5676(7) 0.142(6) Uani 0.525(4) 1 d . . P A 2
F5' F 0.7937(5) 0.6985(4) 0.6540(3) 0.0924(16) Uani 0.525(4) 1 d . . P A 2
F6' F 0.9831(6) 0.8116(9) 0.6741(6) 0.137(3) Uani 0.525(4) 1 d . . P A 2
N1 N 0.4418(2) 0.8855(2) 0.55636(11) 0.0404(5) Uani 1 1 d . . . . .
N2 N 0.3161(2) 0.8352(2) 0.55803(12) 0.0410(5) Uani 1 1 d . . . . .
N3 N -0.4754(2) 0.29706(19) 0.20557(12) 0.0377(5) Uani 1 1 d . . . . .
N4 N -0.5092(2) 0.23297(19) 0.13445(12) 0.0378(5) Uani 1 1 d . . . . .
N5 N 0.6775(2) 0.8364(2) 0.38048(11) 0.0391(5) Uani 1 1 d . . . . .
N6 N 0.63823(19) 0.79757(18) 0.30753(11) 0.0344(4) Uani 1 1 d . . . . .
N7 N -0.1423(2) 0.24009(18) -0.04264(11) 0.0353(4) Uani 1 1 d . . . . .
N8 N -0.2693(2) 0.19019(18) -0.04329(11) 0.0364(4) Uani 1 1 d . . . . .
O1 O 0.3272(4) 0.1949(2) 0.92106(19) 0.1207(14) Uani 1 1 d . . . . .
O2 O 0.3874(2) 0.0432(3) 0.96771(12) 0.0792(8) Uani 1 1 d . . . . .
O3 O 0.3567(2) 0.0188(2) 0.83863(11) 0.0594(6) Uani 1 1 d . . . . .
O4 O 0.6859(5) 0.7426(5) 0.6154(3) 0.085(2) Uani 0.475(4) 1 d . . P A 1
O5 O 0.7534(6) 0.8983(7) 0.5563(3) 0.0678(16) Uani 0.475(4) 1 d . . P A 1
O6 O 0.8206(12) 0.9597(10) 0.6692(7) 0.069(2) Uani 0.475(4) 1 d . . P A 1
O4' O 0.9325(5) 0.9369(5) 0.5637(3) 0.0797(18) Uani 0.525(4) 1 d . . P A 2
O5' O 0.7150(5) 0.8241(6) 0.5576(3) 0.0775(17) Uani 0.525(4) 1 d . . P A 2
O6' O 0.8492(10) 0.9281(11) 0.6780(6) 0.083(3) Uani 0.525(4) 1 d . . P A 2
S1 S 0.32587(8) 0.07274(6) 0.90896(4) 0.05125(18) Uani 1 1 d . . . . .
S2 S 0.7831(2) 0.8431(2) 0.60982(10) 0.0415(5) Uani 0.475(4) 1 d . . P A 1
S2' S 0.8326(3) 0.8861(2) 0.60247(11) 0.0507(5) Uani 0.525(4) 1 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
Ag1 N5 2.156(2) . ?
Ag1 N1 2.161(2) . ?
Ag1 O5' 2.581(6) . ?
Ag1 O5 2.578(6) . ?
Ag2 N4 2.174(2) . ?
Ag2 N8 2.192(2) . ?
C1 N1 1.336(3) . ?
C1 C2 1.383(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.359(4) . ?
C2 H2 0.9500 . ?
C3 N2 1.343(4) . ?
C3 H3 0.9500 . ?
C4 C9 1.374(4) . ?
C4 C5 1.384(4) . ?
C4 N2 1.432(3) . ?
C5 C6 1.384(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.395(3) . ?
C7 C10 1.493(3) . ?
C8 C9 1.384(4) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C29 1.352(4) . ?
C10 C11 1.493(3) . ?
C11 C12 1.385(4) . ?
C11 C16 1.390(3) . ?
C12 C13 1.381(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.375(3) . ?
C14 N3 1.426(3) . ?
C15 C16 1.381(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 N3 1.349(3) . ?
C17 C18 1.370(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(4) . ?
C18 H18 0.9500 . ?
C19 N4 1.338(3) . ?
C19 H19 0.9500 . ?
C20 N5 1.331(3) . ?
C20 C21 1.386(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.370(4) . ?
C21 H21 0.9500 . ?
C22 N6 1.351(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(3) . ?
C23 C28 1.388(3) . ?
C23 N6 1.421(3) . ?
C24 C25 1.378(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.393(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.388(3) . ?
C26 C29 1.493(3) . ?
C27 C28 1.388(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.490(3) . ?
C30 C31 1.395(3) . ?
C30 C35 1.396(3) . ?
C31 C32 1.388(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.389(4) . ?
C33 N7 1.428(3) . ?
C34 C35 1.384(4) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 N7 1.357(3) . ?
C36 C37 1.370(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(4) . ?
C37 H37 0.9500 . ?
C38 N8 1.329(3) . ?
C38 H38 0.9500 . ?
C39 F2 1.318(4) . ?
C39 F1 1.321(4) . ?
C39 F3 1.321(4) . ?
C39 S1 1.800(3) . ?
C40 F4 1.289(11) . ?
C40 F6 1.324(16) . ?
C40 F5 1.340(9) . ?
C40 S2 1.820(8) . ?
C40' F5' 1.290(8) . ?
C40' F6' 1.330(11) . ?
C40' F4' 1.338(12) . ?
C40' S2' 1.803(8) . ?
N1 N2 1.357(3) . ?
N3 N4 1.359(3) . ?
N5 N6 1.363(3) . ?
N7 N8 1.362(3) . ?
O1 S1 1.410(3) . ?
O2 S1 1.450(3) . ?
O3 S1 1.424(2) . ?
O4 S2 1.412(6) . ?
O5 S2 1.417(6) . ?
O6 S2 1.500(11) . ?
O4' S2' 1.431(6) . ?
O5' S2' 1.431(6) . ?
O6' S2' 1.387(11) . ?

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
N5 Ag1 N1 175.26(8) . . ?
N5 Ag1 O5' 92.35(16) . . ?
N1 Ag1 O5' 86.45(16) . . ?
N5 Ag1 O5 86.85(15) . . ?
N1 Ag1 O5 90.51(15) . . ?
N4 Ag2 N8 177.59(8) . . ?
N1 C1 C2 111.3(3) . . ?
N1 C1 H1 124.4 . . ?
C2 C1 H1 124.4 . . ?
C3 C2 C1 104.8(2) . . ?
C3 C2 H2 127.6 . . ?
C1 C2 H2 127.6 . . ?
N2 C3 C2 108.4(3) . . ?
N2 C3 H3 125.8 . . ?
C2 C3 H3 125.8 . . ?
C9 C4 C5 120.7(2) . . ?
C9 C4 N2 119.9(2) . . ?
C5 C4 N2 119.4(2) . . ?
C6 C5 C4 119.2(3) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 C7 120.9(2) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C8 118.7(2) . . ?
C6 C7 C10 120.5(2) . . ?
C8 C7 C10 120.6(2) . . ?
C9 C8 C7 120.2(2) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C4 C9 C8 119.9(2) . . ?
C4 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C29 C10 C11 120.8(2) . . ?
C29 C10 C7 121.2(2) . . ?
C11 C10 C7 118.0(2) . . ?
C12 C11 C16 118.6(2) . . ?
C12 C11 C10 120.9(2) . . ?
C16 C11 C10 120.3(2) . . ?
C13 C12 C11 120.4(2) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C14 C13 C12 119.5(2) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C15 C14 C13 121.1(2) . . ?
C15 C14 N3 119.9(2) . . ?
C13 C14 N3 119.0(2) . . ?
C14 C15 C16 118.7(2) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C15 C16 C11 121.2(2) . . ?
C15 C16 H16 119.4 . . ?
C11 C16 H16 119.4 . . ?
N3 C17 C18 107.4(2) . . ?
N3 C17 H17 126.3 . . ?
C18 C17 H17 126.3 . . ?
C17 C18 C19 105.2(2) . . ?
C17 C18 H18 127.4 . . ?
C19 C18 H18 127.4 . . ?
N4 C19 C18 111.4(2) . . ?
N4 C19 H19 124.3 . . ?
C18 C19 H19 124.3 . . ?
N5 C20 C21 111.4(2) . . ?
N5 C20 H20 124.3 . . ?
C21 C20 H20 124.3 . . ?
C22 C21 C20 105.4(2) . . ?
C22 C21 H21 127.3 . . ?
C20 C21 H21 127.3 . . ?
N6 C22 C21 107.2(2) . . ?
N6 C22 H22 126.4 . . ?
C21 C22 H22 126.4 . . ?
C24 C23 C28 120.6(2) . . ?
C24 C23 N6 118.7(2) . . ?
C28 C23 N6 120.7(2) . . ?
C25 C24 C23 119.8(2) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 120.6(2) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C27 C26 C25 118.7(2) . . ?
C27 C26 C29 121.4(2) . . ?
C25 C26 C29 119.7(2) . . ?
C28 C27 C26 121.2(2) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C28 C23 118.8(2) . . ?
C27 C28 H28 120.6 . . ?
C23 C28 H28 120.6 . . ?
C10 C29 C30 121.7(2) . . ?
C10 C29 C26 120.3(2) . . ?
C30 C29 C26 117.9(2) . . ?
C31 C30 C35 118.3(2) . . ?
C31 C30 C29 120.9(2) . . ?
C35 C30 C29 120.6(2) . . ?
C32 C31 C30 121.0(2) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C33 C32 C31 119.1(2) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C32 C33 C34 120.9(2) . . ?
C32 C33 N7 119.7(2) . . ?
C34 C33 N7 119.4(2) . . ?
C35 C34 C33 119.2(2) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C34 C35 C30 120.9(2) . . ?
C34 C35 H35 119.6 . . ?
C30 C35 H35 119.6 . . ?
N7 C36 C37 107.6(2) . . ?
N7 C36 H36 126.2 . . ?
C37 C36 H36 126.2 . . ?
C36 C37 C38 104.8(2) . . ?
C36 C37 H37 127.6 . . ?
C38 C37 H37 127.6 . . ?
N8 C38 C37 112.0(2) . . ?
N8 C38 H38 124.0 . . ?
C37 C38 H38 124.0 . . ?
F2 C39 F1 107.5(3) . . ?
F2 C39 F3 107.7(3) . . ?
F1 C39 F3 107.7(3) . . ?
F2 C39 S1 111.5(2) . . ?
F1 C39 S1 110.6(3) . . ?
F3 C39 S1 111.6(2) . . ?
F4 C40 F6 111.7(10) . . ?
F4 C40 F5 106.5(8) . . ?
F6 C40 F5 105.3(9) . . ?
F4 C40 S2 112.2(6) . . ?
F6 C40 S2 109.7(9) . . ?
F5 C40 S2 111.2(6) . . ?
F5' C40' F6' 108.2(8) . . ?
F5' C40' F4' 105.9(7) . . ?
F6' C40' F4' 108.1(9) . . ?
F5' C40' S2' 113.8(5) . . ?
F6' C40' S2' 109.2(6) . . ?
F4' C40' S2' 111.4(8) . . ?
C1 N1 N2 105.1(2) . . ?
C1 N1 Ag1 124.58(19) . . ?
N2 N1 Ag1 128.19(16) . . ?
C3 N2 N1 110.3(2) . . ?
C3 N2 C4 129.1(2) . . ?
N1 N2 C4 120.5(2) . . ?
C17 N3 N4 111.1(2) . . ?
C17 N3 C14 127.9(2) . . ?
N4 N3 C14 120.9(2) . . ?
C19 N4 N3 104.8(2) . . ?
C19 N4 Ag2 126.23(18) . . ?
N3 N4 Ag2 128.88(16) . . ?
C20 N5 N6 105.1(2) . . ?
C20 N5 Ag1 127.42(18) . . ?
N6 N5 Ag1 125.32(16) . . ?
C22 N6 N5 111.0(2) . . ?
C22 N6 C23 128.9(2) . . ?
N5 N6 C23 120.00(19) . . ?
C36 N7 N8 110.7(2) . . ?
C36 N7 C33 127.9(2) . . ?
N8 N7 C33 121.15(19) . . ?
C38 N8 N7 104.9(2) . . ?
C38 N8 Ag2 124.20(18) . . ?
N7 N8 Ag2 129.45(15) . . ?
S2 O5 Ag1 132.9(5) . . ?
S2' O5' Ag1 141.6(5) . . ?
O1 S1 O3 114.49(17) . . ?
O1 S1 O2 116.0(2) . . ?
O3 S1 O2 113.43(16) . . ?
O1 S1 C39 103.4(2) . . ?
O3 S1 C39 104.24(14) . . ?
O2 S1 C39 103.16(16) . . ?
O4 S2 O5 114.6(5) . . ?
O4 S2 O6 122.0(6) . . ?
O5 S2 O6 93.5(5) . . ?
O4 S2 C40 103.1(4) . . ?
O5 S2 C40 101.3(4) . . ?
O6 S2 C40 120.5(6) . . ?
O6' S2' O5' 126.6(6) . . ?
O6' S2' O4' 117.3(6) . . ?
O5' S2' O4' 113.7(4) . . ?
O6' S2' C40' 79.3(5) . . ?
O5' S2' C40' 102.6(4) . . ?
O4' S2' C40' 104.6(4) . . ?

_refine_diff_density_max         0.720
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.056


####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2047456'
loop_
_audit_author_name
_audit_author_address
'Wei-Yin Sun'
;Nanjing University
China
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C80 H56 Ag4 F12 N16 O12 S4'
_chemical_formula_weight         2221.12

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 '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                   14.1282(7)
_cell_length_b                   14.4177(7)
_cell_length_c                   14.7363(7)
_cell_angle_alpha                85.093(2)
_cell_angle_beta                 68.925(2)
_cell_angle_gamma                73.243(2)
_cell_volume                     2681.5(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9990
_cell_measurement_theta_min      2.80
_cell_measurement_theta_max      53.85

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_F_000             1104
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    4.849
_shelx_estimated_absorpt_T_min   0.594
_shelx_estimated_absorpt_T_max   0.698
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35849
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.785
_diffrn_reflns_theta_max         52.998
_diffrn_reflns_theta_full        52.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             9433
_reflns_number_gt                7658
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+45.0000P] 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         9433
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1003
_refine_ls_R_factor_gt           0.0869
_refine_ls_wR_factor_ref         0.2083
_refine_ls_wR_factor_gt          0.2014
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_restrained_S_all      1.190
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.32809(7) 0.38517(6) 0.80556(6) 0.0489(2) Uani 1 1 d . . . . .
Ag2 Ag 0.97694(6) 0.86024(5) 0.57173(5) 0.0341(2) Uani 1 1 d . . . . .
C1 C 0.3686(9) 0.2369(8) 0.6412(9) 0.050(3) Uani 1 1 d . . . . .
H1 H 0.307172 0.217626 0.678639 0.060 Uiso 1 1 calc R U . . .
C2 C 0.4427(9) 0.1921(8) 0.5540(9) 0.052(3) Uani 1 1 d . . . . .
H2 H 0.442525 0.137460 0.522238 0.062 Uiso 1 1 calc R U . . .
C3 C 0.5164(8) 0.2446(7) 0.5237(8) 0.043(3) Uani 1 1 d . . . . .
H3 H 0.576379 0.233705 0.465521 0.052 Uiso 1 1 calc R U . . .
C4 C 0.5410(7) 0.3821(6) 0.5963(7) 0.0284(19) Uani 1 1 d . . . . .
C5 C 0.6496(7) 0.3523(8) 0.5729(7) 0.040(2) Uani 1 1 d . . . . .
H5 H 0.688688 0.288661 0.547880 0.047 Uiso 1 1 calc R U . . .
C6 C 0.7011(7) 0.4162(7) 0.5862(7) 0.035(2) Uani 1 1 d . . . . .
H6 H 0.775384 0.395729 0.570705 0.042 Uiso 1 1 calc R U . . .
C7 C 0.6437(7) 0.5112(7) 0.6225(7) 0.032(2) Uani 1 1 d . . . . .
C8 C 0.5384(7) 0.5379(6) 0.6389(6) 0.029(2) Uani 1 1 d . . . . .
H8 H 0.499356 0.602267 0.661708 0.035 Uiso 1 1 calc R U . . .
C9 C 0.4842(7) 0.4775(7) 0.6246(7) 0.031(2) Uani 1 1 d . . . . .
H9 H 0.411219 0.500473 0.633796 0.038 Uiso 1 1 calc R U . . .
C10 C 0.6940(7) 0.5715(6) 0.6551(6) 0.0266(19) Uani 1 1 d . . . . .
C11 C 0.7912(7) 0.5926(6) 0.5816(6) 0.0266(19) Uani 1 1 d . . . . .
C12 C 0.7931(7) 0.6216(7) 0.4885(7) 0.033(2) Uani 1 1 d . . . . .
H12 H 0.738931 0.615446 0.467495 0.039 Uiso 1 1 calc R U . . .
C13 C 0.8709(7) 0.6584(7) 0.4269(7) 0.032(2) Uani 1 1 d . . . . .
H13 H 0.870409 0.678953 0.364073 0.038 Uiso 1 1 calc R U . . .
C14 C 0.9516(7) 0.6657(6) 0.4573(7) 0.030(2) Uani 1 1 d . . . . .
C15 C 0.9580(7) 0.6283(7) 0.5447(7) 0.033(2) Uani 1 1 d . . . . .
H15 H 1.016178 0.627831 0.562869 0.039 Uiso 1 1 calc R U . . .
C16 C 0.8765(7) 0.5907(7) 0.6062(7) 0.032(2) Uani 1 1 d . . . . .
H16 H 0.880417 0.563481 0.666185 0.038 Uiso 1 1 calc R U . . .
C17 C 1.0760(9) 0.7015(8) 0.3016(7) 0.047(3) Uani 1 1 d . . . . .
H17 H 1.066522 0.660312 0.260478 0.057 Uiso 1 1 calc R U . . .
C18 C 1.1416(9) 0.7608(9) 0.2714(8) 0.051(3) Uani 1 1 d . . . . .
H18 H 1.185914 0.768876 0.207044 0.061 Uiso 1 1 calc R U . . .
C19 C 1.1286(7) 0.8061(7) 0.3559(7) 0.035(2) Uani 1 1 d . . . . .
H19 H 1.165180 0.851095 0.358582 0.042 Uiso 1 1 calc R U . . .
C20 C 0.9531(8) 0.9752(7) 0.7543(7) 0.038(2) Uani 1 1 d . . . . .
H20 H 1.005736 1.004681 0.714611 0.045 Uiso 1 1 calc R U . . .
C21 C 0.9079(9) 0.9848(8) 0.8551(7) 0.044(3) Uani 1 1 d . . . . .
H21 H 0.921814 1.022745 0.895885 0.053 Uiso 1 1 calc R U . . .
C22 C 0.8395(8) 0.9289(7) 0.8834(7) 0.040(2) Uani 1 1 d . . . . .
H22 H 0.797253 0.919442 0.948242 0.048 Uiso 1 1 calc R U . . .
C23 C 0.7839(7) 0.8267(6) 0.7939(6) 0.0265(19) Uani 1 1 d . . . . .
C24 C 0.7696(8) 0.7539(7) 0.8604(7) 0.034(2) Uani 1 1 d . . . . .
H24 H 0.793700 0.748585 0.913554 0.041 Uiso 1 1 calc R U . . .
C25 C 0.7191(7) 0.6884(7) 0.8479(7) 0.034(2) Uani 1 1 d . . . . .
H25 H 0.705673 0.639730 0.894597 0.040 Uiso 1 1 calc R U . . .
C26 C 0.6883(7) 0.6942(6) 0.7672(6) 0.0254(18) Uani 1 1 d . . . . .
C27 C 0.6973(7) 0.7731(6) 0.7059(7) 0.030(2) Uani 1 1 d . . . . .
H27 H 0.670074 0.780981 0.654550 0.036 Uiso 1 1 calc R U . . .
C28 C 0.7442(7) 0.8387(6) 0.7182(7) 0.0293(19) Uani 1 1 d . . . . .
H28 H 0.749990 0.891920 0.675862 0.035 Uiso 1 1 calc R U . . .
C29 C 0.6515(7) 0.6139(6) 0.7458(7) 0.0276(19) Uani 1 1 d . . . . .
C30 C 0.5614(7) 0.5872(7) 0.8219(6) 0.029(2) Uani 1 1 d . . . . .
C31 C 0.4734(8) 0.6599(7) 0.8748(7) 0.035(2) Uani 1 1 d . . . . .
H31 H 0.476988 0.724903 0.871675 0.042 Uiso 1 1 calc R U . . .
C32 C 0.3808(7) 0.6382(7) 0.9319(7) 0.036(2) Uani 1 1 d . . . . .
H32 H 0.319997 0.688193 0.965748 0.043 Uiso 1 1 calc R U . . .
C33 C 0.3784(7) 0.5399(6) 0.9390(7) 0.029(2) Uani 1 1 d . . . . .
C34 C 0.4689(7) 0.4666(7) 0.8965(6) 0.032(2) Uani 1 1 d . . . . .
H34 H 0.468972 0.400761 0.907782 0.038 Uiso 1 1 calc R U . . .
C35 C 0.5599(7) 0.4902(7) 0.8370(7) 0.030(2) Uani 1 1 d . . . . .
H35 H 0.621841 0.439990 0.806078 0.036 Uiso 1 1 calc R U . . .
C36 C 0.2021(8) 0.5622(8) 1.0694(8) 0.048(3) Uani 1 1 d . . . . .
H36 H 0.204941 0.608433 1.109924 0.058 Uiso 1 1 calc R U . . .
C37 C 0.1174(8) 0.5283(8) 1.0834(9) 0.053(3) Uani 1 1 d . . . . .
H37 H 0.050751 0.544961 1.134569 0.064 Uiso 1 1 calc R U . . .
C38 C 0.1498(8) 0.4652(8) 1.0077(8) 0.045(3) Uani 1 1 d . . . . .
H38 H 0.106346 0.430399 0.997929 0.054 Uiso 1 1 calc R U . . .
C39 C 0.9633(11) 0.8257(9) 0.1017(10) 0.060(3) Uani 1 1 d . . . . .
C40 C 0.7482(10) 0.9666(8) 0.4500(8) 0.048(3) Uani 1 1 d . . . . .
F2 F 1.0587(6) 0.7730(6) 0.0861(6) 0.075(2) Uani 1 1 d . . . . .
F4 F 0.8002(8) 0.9431(6) 0.3577(6) 0.093(3) Uani 1 1 d . . . . .
F3 F 0.9618(7) 0.8961(5) 0.0383(7) 0.081(2) Uani 1 1 d . . . . .
F1 F 0.9354(10) 0.8701(8) 0.1905(7) 0.119(4) Uani 1 1 d . . . . .
F5 F 0.7578(7) 0.8854(5) 0.4985(6) 0.074(2) Uani 1 1 d . . . . .
F6 F 0.6471(6) 1.0010(6) 0.4576(7) 0.080(2) Uani 1 1 d . . . . .
N1 N 0.3951(6) 0.3092(6) 0.6647(7) 0.043(2) Uani 1 1 d . . . . .
N2 N 0.4875(6) 0.3134(6) 0.5915(6) 0.0341(18) Uani 1 1 d . . . . .
N3 N 1.0281(6) 0.7107(6) 0.3969(5) 0.0325(18) Uani 1 1 d . . . . .
N4 N 1.0579(6) 0.7785(5) 0.4332(5) 0.0298(17) Uani 1 1 d . . . . .
N5 N 0.9121(6) 0.9184(6) 0.7212(6) 0.0340(18) Uani 1 1 d . . . . .
N6 N 0.8430(6) 0.8890(5) 0.8009(5) 0.0301(17) Uani 1 1 d . . . . .
N7 N 0.2805(6) 0.5199(5) 0.9896(6) 0.0310(17) Uani 1 1 d . . . . .
N8 N 0.2484(6) 0.4572(6) 0.9488(6) 0.0381(19) Uani 1 1 d . . . . .
O1 O 0.8778(7) 0.6886(6) 0.1826(6) 0.065(2) Uani 1 1 d . . . . .
O2 O 0.9243(11) 0.7166(9) 0.0078(7) 0.107(4) Uani 1 1 d . . . . .
O3 O 0.7761(8) 0.8248(10) 0.1222(12) 0.135(6) Uani 1 1 d . . . . .
O4 O 0.7758(6) 1.1371(5) 0.4314(6) 0.053(2) Uani 1 1 d . . . . .
O5 O 0.9018(6) 1.0057(6) 0.4751(6) 0.0500(19) Uani 1 1 d . . . . .
O6 O 0.7267(6) 1.0651(6) 0.5916(5) 0.051(2) Uani 1 1 d . . . . .
S1 S 0.8715(3) 0.7598(2) 0.1088(3) 0.0578(8) Uani 1 1 d . . . . .
S2 S 0.79222(19) 1.05394(17) 0.49205(18) 0.0348(5) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.187(9) . ?
Ag1 N8 2.190(8) . ?
Ag2 N4 2.195(7) . ?
Ag2 N5 2.195(8) . ?
C1 N1 1.315(13) . ?
C1 C2 1.397(16) . ?
C1 H1 0.9500 . ?
C2 C3 1.385(14) . ?
C2 H2 0.9500 . ?
C3 N2 1.339(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(13) . ?
C4 C9 1.390(13) . ?
C4 N2 1.427(11) . ?
C5 C6 1.390(13) . ?
C5 H5 0.9500 . ?
C6 C7 1.411(13) . ?
C6 H6 0.9500 . ?
C7 C8 1.359(13) . ?
C7 C10 1.472(12) . ?
C8 C9 1.385(12) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C29 1.368(12) . ?
C10 C11 1.505(12) . ?
C11 C16 1.371(13) . ?
C11 C12 1.393(13) . ?
C12 C13 1.360(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.399(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.376(13) . ?
C14 N3 1.412(11) . ?
C15 C16 1.402(13) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 N3 1.321(12) . ?
C17 C18 1.372(14) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(14) . ?
C18 H18 0.9500 . ?
C19 N4 1.336(11) . ?
C19 H19 0.9500 . ?
C20 N5 1.338(11) . ?
C20 C21 1.391(14) . ?
C20 H20 0.9500 . ?
C21 C22 1.364(13) . ?
C21 H21 0.9500 . ?
C22 N6 1.368(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(13) . ?
C23 C28 1.396(12) . ?
C23 N6 1.423(11) . ?
C24 C25 1.395(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.395(12) . ?
C25 H25 0.9500 . ?
C26 C27 1.397(12) . ?
C26 C29 1.497(11) . ?
C27 C28 1.358(12) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.486(12) . ?
C30 C31 1.394(13) . ?
C30 C35 1.403(12) . ?
C31 C32 1.383(13) . ?
C31 H31 0.9500 . ?
C32 C33 1.422(12) . ?
C32 H32 0.9500 . ?
C33 C34 1.379(13) . ?
C33 N7 1.416(11) . ?
C34 C35 1.388(12) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 N7 1.333(12) . ?
C36 C37 1.363(15) . ?
C36 H36 0.9500 . ?
C37 C38 1.360(16) . ?
C37 H37 0.9500 . ?
C38 N8 1.328(12) . ?
C38 H38 0.9500 . ?
C39 F2 1.289(15) . ?
C39 F3 1.321(14) . ?
C39 F1 1.380(15) . ?
C39 S1 1.787(13) . ?
C40 F4 1.312(13) . ?
C40 F5 1.318(13) . ?
C40 F6 1.336(13) . ?
C40 S2 1.795(10) . ?
N1 N2 1.376(11) . ?
N3 N4 1.382(10) . ?
N5 N6 1.356(10) . ?
N7 N8 1.381(10) . ?
O1 S1 1.438(8) . ?
O2 S1 1.501(11) . ?
O3 S1 1.358(11) . ?
O4 S2 1.447(8) . ?
O5 S2 1.440(7) . ?
O6 S2 1.419(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 Ag1 N8 175.0(3) . . ?
N4 Ag2 N5 169.3(3) . . ?
N1 C1 C2 111.0(10) . . ?
N1 C1 H1 124.5 . . ?
C2 C1 H1 124.5 . . ?
C3 C2 C1 105.0(9) . . ?
C3 C2 H2 127.5 . . ?
C1 C2 H2 127.5 . . ?
N2 C3 C2 107.5(10) . . ?
N2 C3 H3 126.3 . . ?
C2 C3 H3 126.3 . . ?
C5 C4 C9 120.6(8) . . ?
C5 C4 N2 119.3(8) . . ?
C9 C4 N2 120.1(8) . . ?
C4 C5 C6 119.6(9) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C5 C6 C7 120.5(9) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C8 C7 C6 117.1(8) . . ?
C8 C7 C10 122.0(8) . . ?
C6 C7 C10 120.1(8) . . ?
C7 C8 C9 124.3(9) . . ?
C7 C8 H8 117.9 . . ?
C9 C8 H8 117.9 . . ?
C8 C9 C4 117.4(8) . . ?
C8 C9 H9 121.3 . . ?
C4 C9 H9 121.3 . . ?
C29 C10 C7 122.5(8) . . ?
C29 C10 C11 119.9(7) . . ?
C7 C10 C11 117.4(7) . . ?
C16 C11 C12 118.3(8) . . ?
C16 C11 C10 121.2(8) . . ?
C12 C11 C10 120.3(8) . . ?
C13 C12 C11 121.4(8) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C14 119.2(9) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C15 C14 C13 120.6(8) . . ?
C15 C14 N3 119.8(8) . . ?
C13 C14 N3 119.5(8) . . ?
C14 C15 C16 118.3(8) . . ?
C14 C15 H15 120.8 . . ?
C16 C15 H15 120.8 . . ?
C11 C16 C15 121.4(9) . . ?
C11 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
N3 C17 C18 109.2(9) . . ?
N3 C17 H17 125.4 . . ?
C18 C17 H17 125.4 . . ?
C17 C18 C19 104.5(9) . . ?
C17 C18 H18 127.8 . . ?
C19 C18 H18 127.8 . . ?
N4 C19 C18 111.3(8) . . ?
N4 C19 H19 124.3 . . ?
C18 C19 H19 124.3 . . ?
N5 C20 C21 110.4(9) . . ?
N5 C20 H20 124.8 . . ?
C21 C20 H20 124.8 . . ?
C22 C21 C20 106.1(9) . . ?
C22 C21 H21 127.0 . . ?
C20 C21 H21 127.0 . . ?
N6 C22 C21 107.2(9) . . ?
N6 C22 H22 126.4 . . ?
C21 C22 H22 126.4 . . ?
C24 C23 C28 121.4(8) . . ?
C24 C23 N6 119.3(8) . . ?
C28 C23 N6 119.3(8) . . ?
C23 C24 C25 118.7(8) . . ?
C23 C24 H24 120.7 . . ?
C25 C24 H24 120.7 . . ?
C24 C25 C26 120.2(9) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C27 118.8(8) . . ?
C25 C26 C29 119.5(8) . . ?
C27 C26 C29 121.7(8) . . ?
C28 C27 C26 121.3(9) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C27 C28 C23 119.0(8) . . ?
C27 C28 H28 120.5 . . ?
C23 C28 H28 120.5 . . ?
C10 C29 C30 120.6(7) . . ?
C10 C29 C26 120.5(8) . . ?
C30 C29 C26 118.7(8) . . ?
C31 C30 C35 119.0(8) . . ?
C31 C30 C29 119.7(8) . . ?
C35 C30 C29 121.1(8) . . ?
C32 C31 C30 120.7(8) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C31 C32 C33 118.8(9) . . ?
C31 C32 H32 120.6 . . ?
C33 C32 H32 120.6 . . ?
C34 C33 N7 121.3(8) . . ?
C34 C33 C32 120.6(8) . . ?
N7 C33 C32 118.1(8) . . ?
C33 C34 C35 119.3(9) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
C34 C35 C30 120.8(9) . . ?
C34 C35 H35 119.6 . . ?
C30 C35 H35 119.6 . . ?
N7 C36 C37 108.9(10) . . ?
N7 C36 H36 125.6 . . ?
C37 C36 H36 125.6 . . ?
C38 C37 C36 104.4(9) . . ?
C38 C37 H37 127.8 . . ?
C36 C37 H37 127.8 . . ?
N8 C38 C37 113.0(9) . . ?
N8 C38 H38 123.5 . . ?
C37 C38 H38 123.5 . . ?
F2 C39 F3 110.5(11) . . ?
F2 C39 F1 103.5(11) . . ?
F3 C39 F1 105.9(11) . . ?
F2 C39 S1 114.7(9) . . ?
F3 C39 S1 112.1(9) . . ?
F1 C39 S1 109.4(10) . . ?
F4 C40 F5 106.8(9) . . ?
F4 C40 F6 105.1(10) . . ?
F5 C40 F6 107.8(10) . . ?
F4 C40 S2 112.8(9) . . ?
F5 C40 S2 112.4(8) . . ?
F6 C40 S2 111.5(7) . . ?
C1 N1 N2 106.1(9) . . ?
C1 N1 Ag1 126.7(8) . . ?
N2 N1 Ag1 125.8(6) . . ?
C3 N2 N1 110.4(8) . . ?
C3 N2 C4 128.8(8) . . ?
N1 N2 C4 120.8(8) . . ?
C17 N3 N4 110.1(7) . . ?
C17 N3 C14 128.1(8) . . ?
N4 N3 C14 121.7(7) . . ?
C19 N4 N3 104.8(7) . . ?
C19 N4 Ag2 123.9(6) . . ?
N3 N4 Ag2 128.7(6) . . ?
C20 N5 N6 106.1(8) . . ?
C20 N5 Ag2 124.0(6) . . ?
N6 N5 Ag2 128.3(5) . . ?
N5 N6 C22 110.2(7) . . ?
N5 N6 C23 122.2(7) . . ?
C22 N6 C23 127.6(8) . . ?
C36 N7 N8 109.8(8) . . ?
C36 N7 C33 129.8(8) . . ?
N8 N7 C33 119.8(7) . . ?
C38 N8 N7 103.9(8) . . ?
C38 N8 Ag1 127.1(7) . . ?
N7 N8 Ag1 127.9(6) . . ?
O3 S1 O1 117.3(7) . . ?
O3 S1 O2 112.9(9) . . ?
O1 S1 O2 112.7(6) . . ?
O3 S1 C39 107.9(7) . . ?
O1 S1 C39 106.5(6) . . ?
O2 S1 C39 97.2(7) . . ?
O6 S2 O5 114.5(5) . . ?
O6 S2 O4 116.6(5) . . ?
O5 S2 O4 113.7(5) . . ?
O6 S2 C40 101.7(5) . . ?
O5 S2 C40 103.3(5) . . ?
O4 S2 C40 104.7(5) . . ?

_refine_diff_density_max         2.702
_refine_diff_density_min         -1.075
_refine_diff_density_rms         0.182


