# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

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

data_dias905m
_database_code_depnum_ccdc_archive 'CCDC 2021868'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-08-06 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_audit_creation_date             2020-08-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C44 H20 Ag4 F24 N12'
_chemical_formula_sum            'C44 H20 Ag4 F24 N12'
_chemical_formula_weight         1604.20
_chemical_melting_point          ?
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_diffrn_ambient_temperature      100.15
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_chemical_absolute_configuration ?
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2341(9)
_cell_length_b                   11.7296(11)
_cell_length_c                   11.7828(11)
_cell_angle_alpha                107.2390(10)
_cell_angle_beta                 95.6320(10)
_cell_angle_gamma                92.7350(10)
_cell_volume                     1209.0(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    5388
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.15
_shelx_estimated_absorpt_T_max   0.950
_shelx_estimated_absorpt_T_min   0.845
_exptl_absorpt_coefficient_mu    1.739
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0474 before and 0.0331 after correction. The Ratio of minimum to maximum transmission is 0.8402. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_density_diffrn    2.203
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10688
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.731
_diffrn_reflns_theta_min         1.822
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4518
_reflns_number_total             5094
_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       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.194
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5094
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0315
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0454P)²+1.0089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0805
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C9(H9), C11(H11), C12(H12), C13(H13), C18(H18), C19(H19), C20(H20),
 C21(H21), C22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.87937(2) 0.61532(2) 0.51086(2) 0.02202(8) Uani 1 1 d . . . . .
Ag2 Ag 0.87524(2) 0.65037(2) 0.78601(2) 0.02278(8) Uani 1 1 d . . . . .
F1 F 0.8308(2) 0.9379(2) 0.96909(17) 0.0365(5) Uani 1 1 d . . . . .
F2 F 0.6206(2) 0.84449(16) 0.95132(16) 0.0275(4) Uani 1 1 d . . . . .
F3 F 0.6362(2) 1.02639(16) 0.94443(17) 0.0311(4) Uani 1 1 d . . . . .
F4 F 0.6460(2) 0.98015(16) 0.46601(17) 0.0291(4) Uani 1 1 d . . . . .
F5 F 0.7581(2) 0.82086(18) 0.39643(17) 0.0315(4) Uani 1 1 d . . . . .
F6 F 0.5266(2) 0.80707(17) 0.40421(17) 0.0301(4) Uani 1 1 d . . . . .
F7 F 0.4749(2) 0.41967(19) 0.2069(2) 0.0461(6) Uani 1 1 d . . . . .
F8 F 0.6314(2) 0.57072(17) 0.27646(19) 0.0318(4) Uani 1 1 d . . . . .
F9 F 0.5009(3) 0.5172(3) 0.3934(2) 0.0561(7) Uani 1 1 d . . . . .
F10 F 1.0495(2) 0.90609(17) 0.78825(18) 0.0320(4) Uani 1 1 d . . . . .
F11 F 1.0647(2) 0.89748(18) 0.60538(18) 0.0348(5) Uani 1 1 d . . . . .
F12 F 1.2506(2) 0.96536(17) 0.73903(19) 0.0327(5) Uani 1 1 d . . . . .
N1 N 0.7447(3) 0.7607(2) 0.6059(2) 0.0217(5) Uani 1 1 d . . . . .
N2 N 0.7534(3) 0.7756(2) 0.7252(2) 0.0192(5) Uani 1 1 d . . . . .
N3 N 0.8125(3) 0.4359(2) 0.3883(2) 0.0211(5) Uani 1 1 d . . . . .
N4 N 1.1089(3) 0.6599(2) 0.6105(2) 0.0215(5) Uani 1 1 d . . . . .
N5 N 1.0777(3) 0.6313(2) 0.9059(2) 0.0194(5) Uani 1 1 d . . . . .
N6 N 0.8976(3) 0.4477(2) 0.7467(2) 0.0192(5) Uani 1 1 d . . . . .
C1 C 0.6807(3) 0.8561(3) 0.5875(3) 0.0194(6) Uani 1 1 d . . . . .
C2 C 0.6475(3) 0.9339(3) 0.6931(3) 0.0203(6) Uani 1 1 d . . . . .
H2 H 0.602620 1.007081 0.704863 0.024 Uiso 1 1 calc R . . . .
C3 C 0.6955(3) 0.8796(3) 0.7779(3) 0.0200(6) Uani 1 1 d . . . . .
C4 C 0.6535(3) 0.8650(3) 0.4637(3) 0.0230(6) Uani 1 1 d . . . . .
C5 C 0.6964(3) 0.9215(3) 0.9086(3) 0.0213(6) Uani 1 1 d . . . . .
C6 C 0.6850(3) 0.3930(3) 0.3193(3) 0.0211(6) Uani 1 1 d . . . . .
C7 C 0.5747(3) 0.4752(3) 0.3009(3) 0.0247(7) Uani 1 1 d . . . . .
C8 C 1.1922(3) 0.7591(3) 0.6787(3) 0.0214(6) Uani 1 1 d . . . . .
C9 C 1.3234(3) 0.7302(3) 0.7250(3) 0.0234(6) Uani 1 1 d . . . . .
H9 H 1.400968 0.782676 0.775433 0.028 Uiso 1 1 calc R . . . .
C10 C 1.1395(4) 0.8806(3) 0.7023(3) 0.0247(7) Uani 1 1 d . . . . .
C11 C 0.8123(3) 0.3584(3) 0.6687(3) 0.0226(6) Uani 1 1 d . . . . .
H11 H 0.732913 0.377436 0.621820 0.027 Uiso 1 1 calc R . . . .
C12 C 0.8340(4) 0.2380(3) 0.6527(3) 0.0247(7) Uani 1 1 d . . . . .
H12 H 0.769772 0.176910 0.596752 0.030 Uiso 1 1 calc R . . . .
C13 C 0.9480(3) 0.2089(3) 0.7181(3) 0.0239(7) Uani 1 1 d . . . . .
H13 H 0.964359 0.127281 0.707655 0.029 Uiso 1 1 calc R . . . .
C14 C 1.0420(3) 0.3004(3) 0.8013(3) 0.0198(6) Uani 1 1 d . . . . .
C15 C 1.0121(3) 0.4198(3) 0.8121(3) 0.0180(6) Uani 1 1 d . . . . .
C16 C 1.1072(3) 0.5167(3) 0.8960(3) 0.0176(6) Uani 1 1 d . . . . .
C17 C 1.2278(3) 0.4897(3) 0.9646(3) 0.0195(6) Uani 1 1 d . . . . .
C18 C 1.3197(3) 0.5856(3) 1.0425(3) 0.0220(6) Uani 1 1 d . . . . .
H18 H 1.401946 0.570719 1.089685 0.026 Uiso 1 1 calc R . . . .
C19 C 1.2898(4) 0.7007(3) 1.0500(3) 0.0248(7) Uani 1 1 d . . . . .
H19 H 1.351526 0.766509 1.101547 0.030 Uiso 1 1 calc R . . . .
C20 C 1.1665(3) 0.7198(3) 0.9802(3) 0.0225(6) Uani 1 1 d . . . . .
H20 H 1.145870 0.799884 0.986576 0.027 Uiso 1 1 calc R . . . .
C21 C 1.1637(3) 0.2769(3) 0.8740(3) 0.0241(7) Uani 1 1 d . . . . .
H21 H 1.182250 0.196371 0.867444 0.029 Uiso 1 1 calc R . . . .
C22 C 1.2523(3) 0.3668(3) 0.9513(3) 0.0211(6) Uani 1 1 d . . . . .
H22 H 1.332524 0.348442 0.997889 0.025 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.1491(4) . ?
Ag1 N1 2.248(3) . ?
Ag1 N3 2.190(3) . ?
Ag1 N4 2.277(3) . ?
Ag2 N2 2.135(2) . ?
Ag2 N5 2.291(3) . ?
Ag2 N6 2.306(2) . ?
F1 C5 1.344(4) . ?
F2 C5 1.356(4) . ?
F3 C5 1.343(3) . ?
F4 C4 1.348(4) . ?
F5 C4 1.336(4) . ?
F6 C4 1.345(4) . ?
F7 C7 1.347(4) . ?
F8 C7 1.333(4) . ?
F9 C7 1.325(4) . ?
F10 C10 1.347(4) . ?
F11 C10 1.347(4) . ?
F12 C10 1.337(4) . ?
N1 N2 1.359(3) . ?
N1 C1 1.352(4) . ?
N2 C3 1.356(4) . ?
N3 N4 1.369(3) 2_766 ?
N3 C6 1.347(4) . ?
N4 C8 1.353(4) . ?
N5 C16 1.357(4) . ?
N5 C20 1.326(4) . ?
N6 C11 1.331(4) . ?
N6 C15 1.358(4) . ?
C1 C2 1.380(4) . ?
C1 C4 1.491(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(4) . ?
C3 C5 1.470(4) . ?
C6 C7 1.479(4) . ?
C6 C9 1.379(4) 2_766 ?
C8 C9 1.378(4) . ?
C8 C10 1.484(4) . ?
C9 H9 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.395(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.359(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.410(4) . ?
C14 C15 1.411(4) . ?
C14 C21 1.433(4) . ?
C15 C16 1.452(4) . ?
C16 C17 1.415(4) . ?
C17 C18 1.405(4) . ?
C17 C22 1.435(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.370(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.404(4) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.346(4) . ?
C22 H22 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 Ag2 64.65(7) . . ?
N1 Ag1 N4 106.19(9) . . ?
N3 Ag1 Ag2 116.96(7) . . ?
N3 Ag1 N1 130.45(9) . . ?
N3 Ag1 N4 120.74(9) . . ?
N4 Ag1 Ag2 68.89(7) . . ?
N2 Ag2 Ag1 67.08(7) . . ?
N2 Ag2 N5 144.08(9) . . ?
N2 Ag2 N6 141.86(9) . . ?
N5 Ag2 Ag1 122.09(6) . . ?
N5 Ag2 N6 73.53(9) . . ?
N6 Ag2 Ag1 88.24(6) . . ?
N2 N1 Ag1 112.54(18) . . ?
C1 N1 Ag1 138.9(2) . . ?
C1 N1 N2 106.7(2) . . ?
N1 N2 Ag2 115.55(18) . . ?
C3 N2 Ag2 135.7(2) . . ?
C3 N2 N1 108.1(2) . . ?
N4 N3 Ag1 121.53(19) 2_766 . ?
C6 N3 Ag1 129.8(2) . . ?
C6 N3 N4 107.5(2) . 2_766 ?
N3 N4 Ag1 115.95(19) 2_766 . ?
C8 N4 Ag1 137.2(2) . . ?
C8 N4 N3 106.7(2) . 2_766 ?
C16 N5 Ag2 114.9(2) . . ?
C20 N5 Ag2 126.4(2) . . ?
C20 N5 C16 118.7(3) . . ?
C11 N6 Ag2 127.5(2) . . ?
C11 N6 C15 118.1(3) . . ?
C15 N6 Ag2 114.39(19) . . ?
N1 C1 C2 111.6(3) . . ?
N1 C1 C4 119.7(3) . . ?
C2 C1 C4 128.7(3) . . ?
C1 C2 H2 128.4 . . ?
C1 C2 C3 103.3(3) . . ?
C3 C2 H2 128.4 . . ?
N2 C3 C2 110.4(3) . . ?
N2 C3 C5 120.0(3) . . ?
C2 C3 C5 129.6(3) . . ?
F4 C4 C1 110.7(3) . . ?
F5 C4 F4 107.4(3) . . ?
F5 C4 F6 106.6(2) . . ?
F5 C4 C1 112.7(3) . . ?
F6 C4 F4 105.9(2) . . ?
F6 C4 C1 113.1(3) . . ?
F1 C5 F2 105.1(2) . . ?
F1 C5 C3 113.7(3) . . ?
F2 C5 C3 113.3(2) . . ?
F3 C5 F1 106.6(2) . . ?
F3 C5 F2 106.2(2) . . ?
F3 C5 C3 111.5(3) . . ?
N3 C6 C7 120.6(3) . . ?
N3 C6 C9 111.0(3) . 2_766 ?
C9 C6 C7 128.4(3) 2_766 . ?
F7 C7 C6 110.8(3) . . ?
F8 C7 F7 105.7(2) . . ?
F8 C7 C6 113.2(3) . . ?
F9 C7 F7 106.4(3) . . ?
F9 C7 F8 106.1(3) . . ?
F9 C7 C6 114.2(3) . . ?
N4 C8 C9 111.3(3) . . ?
N4 C8 C10 122.0(3) . . ?
C9 C8 C10 126.6(3) . . ?
C6 C9 H9 128.3 2_766 . ?
C8 C9 C6 103.4(3) . 2_766 ?
C8 C9 H9 128.3 . . ?
F10 C10 C8 113.4(3) . . ?
F11 C10 F10 105.6(3) . . ?
F11 C10 C8 113.1(3) . . ?
F12 C10 F10 105.9(2) . . ?
F12 C10 F11 107.0(3) . . ?
F12 C10 C8 111.3(3) . . ?
N6 C11 H11 118.5 . . ?
N6 C11 C12 123.1(3) . . ?
C12 C11 H11 118.5 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.3(3) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.7(3) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C15 117.3(3) . . ?
C13 C14 C21 123.0(3) . . ?
C15 C14 C21 119.7(3) . . ?
N6 C15 C14 122.4(3) . . ?
N6 C15 C16 118.6(3) . . ?
C14 C15 C16 119.0(3) . . ?
N5 C16 C15 118.6(3) . . ?
N5 C16 C17 121.8(3) . . ?
C17 C16 C15 119.5(3) . . ?
C16 C17 C22 119.3(3) . . ?
C18 C17 C16 118.0(3) . . ?
C18 C17 C22 122.7(3) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 C17 119.4(3) . . ?
C19 C18 H18 120.3 . . ?
C18 C19 H19 120.5 . . ?
C18 C19 C20 119.0(3) . . ?
C20 C19 H19 120.5 . . ?
N5 C20 C19 123.0(3) . . ?
N5 C20 H20 118.5 . . ?
C19 C20 H20 118.5 . . ?
C14 C21 H21 119.4 . . ?
C22 C21 C14 121.2(3) . . ?
C22 C21 H21 119.4 . . ?
C17 C22 H22 119.4 . . ?
C21 C22 C17 121.3(3) . . ?
C21 C22 H22 119.4 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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data_dias46s
_database_code_depnum_ccdc_archive 'CCDC 2021871'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-09-11 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_audit_creation_date             2020-09-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C56 H28 Ag4 F24 N14, C7 H8'
_chemical_formula_sum            'C63 H36 Ag4 F24 N14'
_chemical_formula_weight         1876.54
_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 0.0033 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'
F F 0.0171 0.0103 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.1451(13)
_cell_length_b                   13.5207(14)
_cell_length_c                   20.327(3)
_cell_angle_alpha                92.125(5)
_cell_angle_beta                 96.546(6)
_cell_angle_gamma                103.553(11)
_cell_volume                     3216.8(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7974
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   0.890
_shelx_estimated_absorpt_T_min   0.725
_exptl_absorpt_coefficient_mu    1.324
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS v.2.10 (Bruker,2003) was used for absorption correction. R(int) was 0.0429 before and 0.0289 after correction. The Ratio of minimum to maximum transmission is 0.7208. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.937
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0445
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            30094
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.275
_diffrn_reflns_theta_min         1.739
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12705
_reflns_number_total             15308
_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       'SAINT v7.06A (Bruker, 2003)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.06A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.381
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1038
_refine_ls_number_reflns         15308
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0385
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0496P)²+0.4926P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.0973
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F20A-C43 \\sim F20-C43 \\sim F19A-C43 \\sim F19-C43 \\sim F21A-C43 \\sim
F21-C43
 with sigma of 0.01
3. Others
 Fixed Sof: F19(0.459) F20(0.459) F21(0.459) F19A(0.541) F20A(0.541)
 F21A(0.541) C64(0.5) C65(0.5) H65(0.5) C66(0.5) H66(0.5) C67(0.5) H67(0.5)
 C68(0.5) H68(0.5) C69(0.5) H69(0.5) C70(0.5) H70A(0.5) H70B(0.5) H70C(0.5)
 C57(0.5) C58(0.5) H58(0.5) C59(0.5) H59(0.5) C60(0.5) H60(0.5) C61(0.5)
 H61(0.5) C62(0.5) H62(0.5) C63(0.5) H63A(0.5) H63B(0.5) H63C(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7), C11(H11), C12(H12), C13(H13), C16(H16), C17(H17), C18(H18),
 C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C28(H28), C29(H29), C30(H30),
  C32(H32), C33(H33), C36(H36), C41(H41), C45(H45), C46(H46), C47(H47),
 C50(H50), C51(H51), C52(H52), C54(H54), C55(H55), C65(H65), C66(H66), C67(H67),
  C68(H68), C69(H69), C58(H58), C59(H59), C60(H60), C61(H61), C62(H62)
4.b Idealised Me refined as rotating group:
 C70(H70A,H70B,H70C), C63(H63A,H63B,H63C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.50848(2) -0.75659(2) -0.14866(2) 0.02457(6) Uani 1 1 d . . . . .
Ag2 Ag 0.39660(2) -0.75409(2) -0.30603(2) 0.02583(6) Uani 1 1 d . . . . .
Ag3 Ag 0.12818(2) -0.36562(2) -0.13736(2) 0.02839(7) Uani 1 1 d . . . . .
Ag4 Ag 0.05023(2) -0.31477(2) -0.29926(2) 0.02981(7) Uani 1 1 d . . . . .
F1 F 0.82667(15) -0.92530(15) -0.15215(10) 0.0343(5) Uani 1 1 d . . . . .
F2 F 0.70669(16) -0.86659(15) -0.10093(9) 0.0323(4) Uani 1 1 d . . . . .
F3 F 0.66422(17) -1.02211(14) -0.14031(10) 0.0356(5) Uani 1 1 d . . . . .
F4 F 0.68468(19) -0.8920(2) -0.42083(11) 0.0511(6) Uani 1 1 d . . . . .
F5 F 0.57152(17) -0.79143(16) -0.41650(10) 0.0393(5) Uani 1 1 d . . . . .
F6 F 0.50469(19) -0.95276(17) -0.41993(11) 0.0465(5) Uani 1 1 d . . . . .
F7 F 0.38473(18) -0.97211(17) -0.09161(12) 0.0469(6) Uani 1 1 d . . . . .
F8 F 0.2656(2) -0.92639(17) -0.03344(11) 0.0479(6) Uani 1 1 d . . . . .
F9 F 0.21195(18) -1.06042(15) -0.10032(12) 0.0469(6) Uani 1 1 d . . . . .
F10 F -0.03332(16) -0.83097(17) -0.25998(13) 0.0502(6) Uani 1 1 d . . . . .
F11 F 0.09566(19) -0.7061(2) -0.28436(15) 0.0664(8) Uani 1 1 d . . . . .
F12 F 0.0669(3) -0.8520(3) -0.33560(14) 0.0966(13) Uani 1 1 d . . . . .
F13 F 0.07070(18) -0.65708(18) -0.11902(14) 0.0568(7) Uani 1 1 d . . . . .
F14 F -0.11073(18) -0.70716(16) -0.11746(14) 0.0532(6) Uani 1 1 d . . . . .
F15 F -0.02001(19) -0.55774(17) -0.07526(12) 0.0483(6) Uani 1 1 d . . . . .
F16 F -0.2016(2) -0.4926(2) -0.37913(12) 0.0588(7) Uani 1 1 d . . . . .
F17 F -0.2119(3) -0.6539(2) -0.38480(15) 0.0845(10) Uani 1 1 d . . . . .
F18 F -0.0606(2) -0.54743(19) -0.40499(13) 0.0584(7) Uani 1 1 d . . . . .
F22 F -0.17697(19) -0.23096(18) -0.32087(12) 0.0495(6) Uani 1 1 d . . . . .
F23 F -0.09522(19) -0.07273(18) -0.30009(13) 0.0527(6) Uani 1 1 d . . . . .
F24 F -0.25494(16) -0.13513(16) -0.26420(12) 0.0448(6) Uani 1 1 d . . . . .
F19 F 0.0739(9) -0.2442(10) -0.0119(3) 0.121(4) Uani 0.459 1 d D . P A 1
F20 F -0.0961(6) -0.2326(9) -0.0003(4) 0.095(4) Uani 0.459 1 d D . P A 1
F21 F 0.0316(8) -0.1109(5) -0.0057(4) 0.095(3) Uani 0.459 1 d D . P A 1
F19A F -0.0120(4) -0.3028(3) -0.0238(2) 0.0414(11) Uani 0.541 1 d D . P A 2
F20A F -0.1052(5) -0.1890(5) -0.0128(3) 0.0417(14) Uani 0.541 1 d D . P A 2
F21A F 0.0787(4) -0.1443(5) -0.0088(3) 0.0468(14) Uani 0.541 1 d D . P A 2
N1 N 0.5849(2) -0.84323(19) -0.21878(13) 0.0255(6) Uani 1 1 d . . . . .
N2 N 0.5508(2) -0.8306(2) -0.28315(13) 0.0267(6) Uani 1 1 d . . . . .
N3 N 0.3209(2) -0.8327(2) -0.17257(14) 0.0276(6) Uani 1 1 d . . . . .
N4 N 0.2671(2) -0.7893(2) -0.22188(14) 0.0279(6) Uani 1 1 d . . . . .
N5 N 0.5819(2) -0.6006(2) -0.10177(12) 0.0227(5) Uani 1 1 d . . . . .
N6 N 0.2993(2) -0.33521(19) -0.07644(13) 0.0260(6) Uani 1 1 d . . . . .
N7 N 0.4950(2) -0.58488(19) -0.28177(12) 0.0207(5) Uani 1 1 d . . . . .
N8 N 0.2524(2) -0.28990(19) -0.24694(13) 0.0242(5) Uani 1 1 d . . . . .
N9 N 0.0105(2) -0.4915(2) -0.20339(16) 0.0317(6) Uani 1 1 d . . . . .
N10 N -0.0190(2) -0.4748(2) -0.26700(16) 0.0324(7) Uani 1 1 d . . . . .
N11 N 0.0259(2) -0.24379(19) -0.14895(14) 0.0272(6) Uani 1 1 d . . . . .
N12 N -0.0110(2) -0.2297(2) -0.21234(15) 0.0293(6) Uani 1 1 d . . . . .
N13 N 0.0476(2) -0.2410(2) -0.39815(15) 0.0309(6) Uani 1 1 d . . . . .
N14 N 0.2975(2) 0.1598(2) -0.40347(14) 0.0280(6) Uani 1 1 d . . . . .
C1 C 0.6666(2) -0.8951(2) -0.21721(16) 0.0240(6) Uani 1 1 d . . . . .
C2 C 0.6880(3) -0.9170(2) -0.28106(16) 0.0263(7) Uani 1 1 d . . . . .
H2 H 0.741378 -0.952555 -0.294500 0.032 Uiso 1 1 calc R . . . .
C3 C 0.6132(3) -0.8750(2) -0.32024(16) 0.0253(7) Uani 1 1 d . . . . .
C4 C 0.7159(3) -0.9256(2) -0.15326(17) 0.0268(7) Uani 1 1 d . . . . .
C5 C 0.5938(3) -0.8771(3) -0.39375(18) 0.0333(8) Uani 1 1 d . . . . .
C6 C 0.2426(3) -0.9038(2) -0.14819(18) 0.0300(7) Uani 1 1 d . . . . .
C7 C 0.1342(3) -0.9085(3) -0.18059(18) 0.0345(8) Uani 1 1 d . . . . .
H7 H 0.063316 -0.951492 -0.173235 0.041 Uiso 1 1 calc R . . . .
C8 C 0.1550(3) -0.8351(3) -0.22614(18) 0.0306(7) Uani 1 1 d . . . . .
C9 C 0.2750(3) -0.9650(3) -0.09378(19) 0.0356(8) Uani 1 1 d . . . . .
C10 C 0.0723(3) -0.8063(3) -0.2758(2) 0.0415(9) Uani 1 1 d . . . . .
C11 C 0.6927(3) -0.5727(3) -0.07908(16) 0.0265(7) Uani 1 1 d . . . . .
H11 H 0.737726 -0.620671 -0.083802 0.032 Uiso 1 1 calc R . . . .
C12 C 0.7456(3) -0.4769(3) -0.04881(17) 0.0314(7) Uani 1 1 d . . . . .
H12 H 0.825315 -0.459783 -0.034271 0.038 Uiso 1 1 calc R . . . .
C13 C 0.6820(3) -0.4073(3) -0.04014(15) 0.0280(7) Uani 1 1 d . . . . .
H13 H 0.716894 -0.342073 -0.018658 0.034 Uiso 1 1 calc R . . . .
C14 C 0.5646(3) -0.4331(2) -0.06323(14) 0.0212(6) Uani 1 1 d . . . . .
C15 C 0.4907(3) -0.3643(2) -0.05551(15) 0.0229(6) Uani 1 1 d . . . . .
C16 C 0.5286(3) -0.2665(2) -0.02294(16) 0.0295(7) Uani 1 1 d . . . . .
H16 H 0.606624 -0.241566 -0.005388 0.035 Uiso 1 1 calc R . . . .
C17 C 0.4525(3) -0.2074(3) -0.01667(17) 0.0355(8) Uani 1 1 d . . . . .
H17 H 0.476940 -0.141874 0.006140 0.043 Uiso 1 1 calc R . . . .
C18 C 0.3387(3) -0.2442(2) -0.04408(17) 0.0330(8) Uani 1 1 d . . . . .
H18 H 0.286961 -0.202221 -0.039391 0.040 Uiso 1 1 calc R . . . .
C19 C 0.3740(3) -0.3968(2) -0.08182(15) 0.0231(6) Uani 1 1 d . . . . .
C20 C 0.3306(3) -0.4958(2) -0.11455(15) 0.0217(6) Uani 1 1 d . . . . .
H20 H 0.252439 -0.516427 -0.132515 0.026 Uiso 1 1 calc R . . . .
C21 C 0.3986(2) -0.5608(2) -0.12048(14) 0.0199(6) Uani 1 1 d . . . . .
H21 H 0.367594 -0.626799 -0.141850 0.024 Uiso 1 1 calc R . . . .
C22 C 0.5176(2) -0.5309(2) -0.09468(14) 0.0199(6) Uani 1 1 d . . . . .
C23 C 0.6072(3) -0.5652(2) -0.26477(15) 0.0247(6) Uani 1 1 d . . . . .
H23 H 0.644677 -0.618481 -0.271095 0.030 Uiso 1 1 calc R . . . .
C24 C 0.6731(3) -0.4703(2) -0.23807(16) 0.0254(7) Uani 1 1 d . . . . .
H24 H 0.753317 -0.459376 -0.227081 0.030 Uiso 1 1 calc R . . . .
C25 C 0.6196(3) -0.3927(2) -0.22794(15) 0.0231(6) Uani 1 1 d . . . . .
H25 H 0.662729 -0.327918 -0.209166 0.028 Uiso 1 1 calc R . . . .
C26 C 0.5014(2) -0.4098(2) -0.24541(14) 0.0187(6) Uani 1 1 d . . . . .
C27 C 0.4375(2) -0.3324(2) -0.23642(14) 0.0195(6) Uani 1 1 d . . . . .
C28 C 0.4876(3) -0.2337(2) -0.20834(15) 0.0239(6) Uani 1 1 d . . . . .
H28 H 0.567781 -0.213346 -0.195566 0.029 Uiso 1 1 calc R . . . .
C29 C 0.4211(3) -0.1666(2) -0.19927(16) 0.0257(7) Uani 1 1 d . . . . .
H29 H 0.454185 -0.099445 -0.180289 0.031 Uiso 1 1 calc R . . . .
C30 C 0.3038(3) -0.1990(2) -0.21851(15) 0.0256(7) Uani 1 1 d . . . . .
H30 H 0.257970 -0.152746 -0.210643 0.031 Uiso 1 1 calc R . . . .
C31 C 0.3178(2) -0.3581(2) -0.25586(15) 0.0210(6) Uani 1 1 d . . . . .
C32 C 0.2620(3) -0.4573(2) -0.28528(16) 0.0259(7) Uani 1 1 d . . . . .
H32 H 0.182231 -0.473036 -0.299500 0.031 Uiso 1 1 calc R . . . .
C33 C 0.3216(2) -0.5294(2) -0.29319(15) 0.0230(6) Uani 1 1 d . . . . .
H33 H 0.282780 -0.595233 -0.312359 0.028 Uiso 1 1 calc R . . . .
C34 C 0.4418(2) -0.5075(2) -0.27308(14) 0.0206(6) Uani 1 1 d . . . . .
C35 C -0.0486(3) -0.5847(2) -0.1916(2) 0.0343(8) Uani 1 1 d . . . . .
C36 C -0.1190(3) -0.6316(3) -0.2480(2) 0.0392(9) Uani 1 1 d . . . . .
H36 H -0.169967 -0.697170 -0.253656 0.047 Uiso 1 1 calc R . . . .
C37 C -0.0964(3) -0.5591(2) -0.2940(2) 0.0348(8) Uani 1 1 d . . . . .
C38 C -0.0275(3) -0.6258(3) -0.1269(2) 0.0437(10) Uani 1 1 d . . . . .
C39 C -0.1429(3) -0.5642(3) -0.3641(2) 0.0449(10) Uani 1 1 d . . . . .
C40 C -0.0344(3) -0.2018(2) -0.10915(18) 0.0297(7) Uani 1 1 d . . . . .
C41 C -0.1131(3) -0.1602(2) -0.14683(19) 0.0326(8) Uani 1 1 d . . . . .
H41 H -0.166679 -0.126152 -0.131856 0.039 Uiso 1 1 calc R . . . .
C42 C -0.0948(3) -0.1799(2) -0.21053(18) 0.0301(7) Uani 1 1 d . . . . .
C43 C -0.0134(3) -0.2054(3) -0.0370(2) 0.0403(9) Uani 1 1 d D . . . .
C44 C -0.1541(3) -0.1549(3) -0.2733(2) 0.0366(8) Uani 1 1 d . . . . .
C45 C -0.0055(3) -0.2941(3) -0.45354(19) 0.0350(8) Uani 1 1 d . . . . .
H45 H -0.047617 -0.362178 -0.450481 0.042 Uiso 1 1 calc R . . . .
C46 C -0.0027(3) -0.2552(3) -0.51623(19) 0.0375(8) Uani 1 1 d . . . . .
H46 H -0.041827 -0.296415 -0.554548 0.045 Uiso 1 1 calc R . . . .
C47 C 0.0567(3) -0.1572(3) -0.52205(18) 0.0339(8) Uani 1 1 d . . . . .
H47 H 0.059779 -0.130022 -0.564428 0.041 Uiso 1 1 calc R . . . .
C48 C 0.1130(3) -0.0972(2) -0.46471(16) 0.0266(7) Uani 1 1 d . . . . .
C49 C 0.1777(3) 0.0084(2) -0.46598(16) 0.0271(7) Uani 1 1 d . . . . .
C50 C 0.1847(3) 0.0608(3) -0.52436(17) 0.0322(8) Uani 1 1 d . . . . .
H50 H 0.146333 0.027949 -0.565585 0.039 Uiso 1 1 calc R . . . .
C51 C 0.2471(3) 0.1594(3) -0.52124(18) 0.0349(8) Uani 1 1 d . . . . .
H51 H 0.252721 0.195860 -0.560254 0.042 Uiso 1 1 calc R . . . .
C52 C 0.3028(3) 0.2060(3) -0.45994(17) 0.0333(8) Uani 1 1 d . . . . .
H52 H 0.346698 0.274363 -0.458644 0.040 Uiso 1 1 calc R . . . .
C53 C 0.2359(3) 0.0609(2) -0.40585(16) 0.0257(7) Uani 1 1 d . . . . .
C54 C 0.2288(3) 0.0111(2) -0.34544(16) 0.0285(7) Uani 1 1 d . . . . .
H54 H 0.269757 0.046036 -0.305384 0.034 Uiso 1 1 calc R . . . .
C55 C 0.1650(3) -0.0848(2) -0.34402(17) 0.0305(7) Uani 1 1 d . . . . .
H55 H 0.158708 -0.114833 -0.302661 0.037 Uiso 1 1 calc R . . . .
C56 C 0.1070(3) -0.1421(2) -0.40327(16) 0.0269(7) Uani 1 1 d . . . . .
C64 C 0.4170(6) -0.3162(6) -0.4240(3) 0.0342(16) Uani 0.5 1 d . . P B -2
C65 C 0.3577(9) -0.4015(8) -0.4601(5) 0.042(2) Uani 0.5 1 d . . P B -2
H65 H 0.281499 -0.405387 -0.479108 0.050 Uiso 0.5 1 calc R . P B -2
C66 C 0.4063(7) -0.4860(6) -0.4706(4) 0.0452(19) Uani 0.5 1 d . . P B -2
H66 H 0.363707 -0.545396 -0.496534 0.054 Uiso 0.5 1 calc R . P B -2
C67 C 0.5163(7) -0.4800(6) -0.4423(3) 0.0382(17) Uani 0.5 1 d . . P B -2
H67 H 0.550442 -0.535395 -0.448999 0.046 Uiso 0.5 1 calc R . P B -2
C68 C 0.5769(6) -0.3941(6) -0.4042(3) 0.0348(16) Uani 0.5 1 d . . P B -2
H68 H 0.653246 -0.387438 -0.384397 0.042 Uiso 0.5 1 calc R . P B -2
C69 C 0.519(2) -0.3171(18) -0.3967(15) 0.023(4) Uani 0.5 1 d . . P B -2
H69 H 0.558088 -0.259089 -0.368467 0.027 Uiso 0.5 1 calc R . P B -2
C70 C 0.367(2) -0.2291(13) -0.4125(12) 0.054(6) Uani 0.5 1 d . . P B -2
H70A H 0.321349 -0.218113 -0.453409 0.081 Uiso 0.5 1 calc GR . P B -2
H70B H 0.427795 -0.167795 -0.399060 0.081 Uiso 0.5 1 calc GR . P B -2
H70C H 0.317466 -0.243282 -0.377277 0.081 Uiso 0.5 1 calc GR . P B -2
C57 C 0.3323(7) -0.3846(8) -0.4364(4) 0.033(2) Uani 0.5 1 d . . P C -1
C58 C 0.3074(7) -0.2900(7) -0.4389(4) 0.0385(19) Uani 0.5 1 d . . P C -1
H58 H 0.231642 -0.287304 -0.454810 0.046 Uiso 0.5 1 calc R . P C -1
C59 C 0.3861(16) -0.1995(13) -0.4196(10) 0.036(3) Uani 0.5 1 d . . P C -1
H59 H 0.366521 -0.135691 -0.423019 0.044 Uiso 0.5 1 calc R . P C -1
C60 C 0.4991(6) -0.2060(6) -0.3940(3) 0.0360(16) Uani 0.5 1 d . . P C -1
H60 H 0.552603 -0.144261 -0.377981 0.043 Uiso 0.5 1 calc R . P C -1
C61 C 0.537(3) -0.2957(19) -0.3908(16) 0.031(4) Uani 0.5 1 d . . P C -1
H61 H 0.613099 -0.297768 -0.375814 0.037 Uiso 0.5 1 calc R . P C -1
C62 C 0.4441(6) -0.3879(6) -0.4133(3) 0.0310(15) Uani 0.5 1 d . . P C -1
H62 H 0.461996 -0.452579 -0.412012 0.037 Uiso 0.5 1 calc R . P C -1
C63 C 0.2428(7) -0.4807(6) -0.4592(4) 0.0414(18) Uani 0.5 1 d . . P C -1
H63A H 0.257166 -0.506925 -0.502174 0.062 Uiso 0.5 1 calc GR . P C -1
H63B H 0.167165 -0.465970 -0.463658 0.062 Uiso 0.5 1 calc GR . P C -1
H63C H 0.245840 -0.531886 -0.426545 0.062 Uiso 0.5 1 calc GR . P C -1


_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 Ag2 3.3345(6) . ?
Ag1 N1 2.225(2) . ?
Ag1 N3 2.258(3) . ?
Ag1 N5 2.220(3) . ?
Ag2 N2 2.354(3) . ?
Ag2 N4 2.439(3) . ?
Ag2 N7 2.325(3) . ?
Ag2 N14 2.315(3) 1_545 ?
Ag3 N6 2.235(3) . ?
Ag3 N9 2.235(3) . ?
Ag3 N11 2.287(2) . ?
Ag4 N8 2.502(3) . ?
Ag4 N10 2.279(3) . ?
Ag4 N12 2.355(3) . ?
Ag4 N13 2.277(3) . ?
F1 C4 1.342(3) . ?
F2 C4 1.336(4) . ?
F3 C4 1.359(4) . ?
F4 C5 1.340(4) . ?
F5 C5 1.337(4) . ?
F6 C5 1.346(4) . ?
F7 C9 1.355(4) . ?
F8 C9 1.343(4) . ?
F9 C9 1.330(4) . ?
F10 C10 1.327(4) . ?
F11 C10 1.339(5) . ?
F12 C10 1.332(5) . ?
F13 C38 1.351(4) . ?
F14 C38 1.344(4) . ?
F15 C38 1.350(5) . ?
F16 C39 1.353(5) . ?
F17 C39 1.325(4) . ?
F18 C39 1.356(4) . ?
F22 C44 1.341(4) . ?
F23 C44 1.343(4) . ?
F24 C44 1.344(4) . ?
F19 C43 1.347(6) . ?
F20 C43 1.311(6) . ?
F21 C43 1.367(6) . ?
F19A C43 1.357(4) . ?
F20A C43 1.329(5) . ?
F21A C43 1.283(5) . ?
N1 N2 1.356(4) . ?
N1 C1 1.341(4) . ?
N2 C3 1.346(4) . ?
N3 N4 1.360(4) . ?
N3 C6 1.337(4) . ?
N4 C8 1.349(4) . ?
N5 C11 1.331(4) . ?
N5 C22 1.371(4) . ?
N6 C18 1.330(4) . ?
N6 C19 1.377(4) . ?
N7 C23 1.328(4) . ?
N7 C34 1.369(4) . ?
N8 C30 1.319(4) . ?
N8 C31 1.371(4) . ?
N9 N10 1.344(4) . ?
N9 C35 1.340(4) . ?
N10 C37 1.348(4) . ?
N11 N12 1.350(4) . ?
N11 C40 1.346(4) . ?
N12 C42 1.349(4) . ?
N13 C45 1.326(4) . ?
N13 C56 1.377(4) . ?
N14 C52 1.328(4) . ?
N14 C53 1.366(4) . ?
C1 C2 1.387(4) . ?
C1 C4 1.482(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.376(4) . ?
C3 C5 1.484(5) . ?
C6 C7 1.390(5) . ?
C6 C9 1.478(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.382(5) . ?
C8 C10 1.470(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.390(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.368(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.406(4) . ?
C14 C15 1.452(4) . ?
C14 C22 1.409(4) . ?
C15 C16 1.407(4) . ?
C15 C19 1.417(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.369(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.397(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.427(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.351(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.436(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.396(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.377(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.401(4) . ?
C26 C27 1.459(4) . ?
C26 C34 1.411(4) . ?
C27 C28 1.400(4) . ?
C27 C31 1.418(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.370(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.394(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.427(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.359(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.428(4) . ?
C35 C36 1.383(5) . ?
C35 C38 1.467(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.383(5) . ?
C37 C39 1.464(6) . ?
C40 C41 1.391(5) . ?
C40 C43 1.465(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.366(5) . ?
C42 C44 1.483(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.398(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.369(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.405(4) . ?
C48 C49 1.461(5) . ?
C48 C56 1.411(5) . ?
C49 C50 1.405(5) . ?
C49 C53 1.415(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.366(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.399(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.424(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.349(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.424(4) . ?
C64 C65 1.347(12) . ?
C64 C69 1.30(3) . ?
C64 C70 1.47(2) . ?
C65 H65 0.9500 . ?
C65 C66 1.424(13) . ?
C66 H66 0.9500 . ?
C66 C67 1.375(11) . ?
C67 H67 0.9500 . ?
C67 C68 1.375(10) . ?
C68 H68 0.9500 . ?
C68 C69 1.40(3) . ?
C69 H69 0.9500 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C57 C58 1.382(13) . ?
C57 C62 1.397(12) . ?
C57 C63 1.504(12) . ?
C58 H58 0.9500 . ?
C58 C59 1.38(2) . ?
C59 H59 0.9500 . ?
C59 C60 1.44(2) . ?
C60 H60 0.9500 . ?
C60 C61 1.39(3) . ?
C61 H61 0.9500 . ?
C61 C62 1.49(2) . ?
C62 H62 0.9500 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?

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 Ag2 67.34(7) . . ?
N1 Ag1 N3 101.61(9) . . ?
N3 Ag1 Ag2 64.18(7) . . ?
N5 Ag1 Ag2 112.26(6) . . ?
N5 Ag1 N1 127.66(9) . . ?
N5 Ag1 N3 126.11(9) . . ?
N2 Ag2 Ag1 61.21(7) . . ?
N2 Ag2 N4 110.79(9) . . ?
N4 Ag2 Ag1 61.68(7) . . ?
N7 Ag2 Ag1 77.92(6) . . ?
N7 Ag2 N2 98.41(9) . . ?
N7 Ag2 N4 104.62(9) . . ?
N14 Ag2 Ag1 150.09(7) 1_545 . ?
N14 Ag2 N2 104.04(9) 1_545 . ?
N14 Ag2 N4 106.31(9) 1_545 . ?
N14 Ag2 N7 131.72(9) 1_545 . ?
N6 Ag3 N11 122.13(9) . . ?
N9 Ag3 N6 138.60(9) . . ?
N9 Ag3 N11 99.20(9) . . ?
N10 Ag4 N8 97.95(9) . . ?
N10 Ag4 N12 95.51(10) . . ?
N12 Ag4 N8 96.17(9) . . ?
N13 Ag4 N8 109.48(9) . . ?
N13 Ag4 N10 134.59(10) . . ?
N13 Ag4 N12 115.90(10) . . ?
N2 N1 Ag1 112.48(18) . . ?
C1 N1 Ag1 138.8(2) . . ?
C1 N1 N2 108.1(2) . . ?
N1 N2 Ag2 117.77(18) . . ?
C3 N2 Ag2 135.0(2) . . ?
C3 N2 N1 107.0(2) . . ?
N4 N3 Ag1 113.06(19) . . ?
C6 N3 Ag1 138.2(2) . . ?
C6 N3 N4 108.4(3) . . ?
N3 N4 Ag2 106.31(17) . . ?
C8 N4 Ag2 131.9(2) . . ?
C8 N4 N3 106.6(3) . . ?
C11 N5 Ag1 119.4(2) . . ?
C11 N5 C22 118.0(3) . . ?
C22 N5 Ag1 122.65(19) . . ?
C18 N6 Ag3 117.6(2) . . ?
C18 N6 C19 118.3(3) . . ?
C19 N6 Ag3 122.7(2) . . ?
C23 N7 Ag2 117.9(2) . . ?
C23 N7 C34 118.0(3) . . ?
C34 N7 Ag2 123.13(19) . . ?
C30 N8 Ag4 117.26(19) . . ?
C30 N8 C31 117.9(3) . . ?
C31 N8 Ag4 123.8(2) . . ?
N10 N9 Ag3 119.1(2) . . ?
C35 N9 Ag3 132.4(3) . . ?
C35 N9 N10 108.3(3) . . ?
N9 N10 Ag4 116.8(2) . . ?
N9 N10 C37 107.1(3) . . ?
C37 N10 Ag4 135.6(3) . . ?
N12 N11 Ag3 114.65(19) . . ?
C40 N11 Ag3 134.4(2) . . ?
C40 N11 N12 107.9(3) . . ?
N11 N12 Ag4 119.11(19) . . ?
C42 N12 Ag4 132.6(2) . . ?
C42 N12 N11 107.2(3) . . ?
C45 N13 Ag4 120.9(2) . . ?
C45 N13 C56 117.7(3) . . ?
C56 N13 Ag4 121.3(2) . . ?
C52 N14 Ag2 119.5(2) . 1_565 ?
C52 N14 C53 118.0(3) . . ?
C53 N14 Ag2 122.4(2) . 1_565 ?
N1 C1 C2 110.4(3) . . ?
N1 C1 C4 120.3(3) . . ?
C2 C1 C4 129.2(3) . . ?
C1 C2 H2 128.3 . . ?
C3 C2 C1 103.3(3) . . ?
C3 C2 H2 128.3 . . ?
N2 C3 C2 111.2(3) . . ?
N2 C3 C5 120.4(3) . . ?
C2 C3 C5 128.4(3) . . ?
F1 C4 F3 104.9(2) . . ?
F1 C4 C1 112.5(3) . . ?
F2 C4 F1 107.5(3) . . ?
F2 C4 F3 105.5(3) . . ?
F2 C4 C1 113.4(3) . . ?
F3 C4 C1 112.5(3) . . ?
F4 C5 F6 106.3(3) . . ?
F4 C5 C3 111.4(3) . . ?
F5 C5 F4 107.2(3) . . ?
F5 C5 F6 105.6(3) . . ?
F5 C5 C3 113.4(3) . . ?
F6 C5 C3 112.4(3) . . ?
N3 C6 C7 110.7(3) . . ?
N3 C6 C9 121.3(3) . . ?
C7 C6 C9 128.0(3) . . ?
C6 C7 H7 128.6 . . ?
C8 C7 C6 102.8(3) . . ?
C8 C7 H7 128.6 . . ?
N4 C8 C7 111.5(3) . . ?
N4 C8 C10 120.4(3) . . ?
C7 C8 C10 128.0(3) . . ?
F7 C9 C6 112.1(3) . . ?
F8 C9 F7 105.8(3) . . ?
F8 C9 C6 113.3(3) . . ?
F9 C9 F7 105.8(3) . . ?
F9 C9 F8 107.1(3) . . ?
F9 C9 C6 112.2(3) . . ?
F10 C10 F11 106.3(3) . . ?
F10 C10 F12 105.6(3) . . ?
F10 C10 C8 112.5(3) . . ?
F11 C10 C8 113.3(3) . . ?
F12 C10 F11 105.8(4) . . ?
F12 C10 C8 112.8(3) . . ?
N5 C11 H11 118.4 . . ?
N5 C11 C12 123.2(3) . . ?
C12 C11 H11 118.4 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(3) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.5(3) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C15 123.1(3) . . ?
C13 C14 C22 117.7(3) . . ?
C22 C14 C15 119.2(3) . . ?
C16 C15 C14 123.5(3) . . ?
C16 C15 C19 117.8(3) . . ?
C19 C15 C14 118.7(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.6(3) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.5(3) . . ?
C18 C17 H17 120.3 . . ?
N6 C18 C17 123.1(3) . . ?
N6 C18 H18 118.5 . . ?
C17 C18 H18 118.5 . . ?
N6 C19 C15 121.7(3) . . ?
N6 C19 C20 118.2(3) . . ?
C15 C19 C20 120.1(3) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.3(3) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
N5 C22 C14 122.1(3) . . ?
N5 C22 C21 117.7(3) . . ?
C14 C22 C21 120.2(3) . . ?
N7 C23 H23 118.3 . . ?
N7 C23 C24 123.4(3) . . ?
C24 C23 H23 118.3 . . ?
C23 C24 H24 120.6 . . ?
C25 C24 C23 118.8(3) . . ?
C25 C24 H24 120.6 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.8(3) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C27 123.7(3) . . ?
C25 C26 C34 117.6(3) . . ?
C34 C26 C27 118.7(3) . . ?
C28 C27 C26 123.5(3) . . ?
C28 C27 C31 117.6(3) . . ?
C31 C27 C26 118.9(3) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0(3) . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.7 . . ?
C28 C29 C30 118.5(3) . . ?
C30 C29 H29 120.7 . . ?
N8 C30 C29 124.1(3) . . ?
N8 C30 H30 117.9 . . ?
C29 C30 H30 117.9 . . ?
N8 C31 C27 121.7(3) . . ?
N8 C31 C32 118.0(3) . . ?
C27 C31 C32 120.2(3) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 C31 120.8(3) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 H33 119.6 . . ?
C32 C33 C34 120.9(3) . . ?
C34 C33 H33 119.6 . . ?
N7 C34 C26 122.3(3) . . ?
N7 C34 C33 117.2(3) . . ?
C26 C34 C33 120.5(3) . . ?
N9 C35 C36 110.8(3) . . ?
N9 C35 C38 119.9(3) . . ?
C36 C35 C38 129.1(3) . . ?
C35 C36 H36 128.7 . . ?
C37 C36 C35 102.6(3) . . ?
C37 C36 H36 128.7 . . ?
N10 C37 C36 111.2(4) . . ?
N10 C37 C39 119.6(3) . . ?
C36 C37 C39 129.2(3) . . ?
F13 C38 C35 112.9(3) . . ?
F14 C38 F13 106.0(3) . . ?
F14 C38 F15 106.2(3) . . ?
F14 C38 C35 112.1(3) . . ?
F15 C38 F13 105.8(3) . . ?
F15 C38 C35 113.2(3) . . ?
F16 C39 F18 103.5(3) . . ?
F16 C39 C37 113.9(3) . . ?
F17 C39 F16 107.0(4) . . ?
F17 C39 F18 106.1(3) . . ?
F17 C39 C37 112.8(4) . . ?
F18 C39 C37 112.8(3) . . ?
N11 C40 C41 110.2(3) . . ?
N11 C40 C43 120.5(3) . . ?
C41 C40 C43 129.3(3) . . ?
C40 C41 H41 128.3 . . ?
C42 C41 C40 103.4(3) . . ?
C42 C41 H41 128.3 . . ?
N12 C42 C41 111.3(3) . . ?
N12 C42 C44 119.8(3) . . ?
C41 C42 C44 128.9(3) . . ?
F19 C43 F21 94.3(7) . . ?
F19 C43 C40 117.9(4) . . ?
F20 C43 F19 107.6(7) . . ?
F20 C43 F21 96.3(7) . . ?
F20 C43 C40 122.6(5) . . ?
F21 C43 C40 112.4(5) . . ?
F19A C43 C40 107.6(3) . . ?
F20A C43 F19A 105.1(4) . . ?
F20A C43 C40 106.7(4) . . ?
F21A C43 F19A 109.8(4) . . ?
F21A C43 F20A 111.9(5) . . ?
F21A C43 C40 115.2(4) . . ?
F22 C44 F23 105.8(3) . . ?
F22 C44 F24 106.2(3) . . ?
F22 C44 C42 113.1(3) . . ?
F23 C44 F24 106.0(3) . . ?
F23 C44 C42 113.8(3) . . ?
F24 C44 C42 111.3(3) . . ?
N13 C45 H45 118.3 . . ?
N13 C45 C46 123.3(3) . . ?
C46 C45 H45 118.3 . . ?
C45 C46 H46 120.2 . . ?
C47 C46 C45 119.6(3) . . ?
C47 C46 H46 120.2 . . ?
C46 C47 H47 120.3 . . ?
C46 C47 C48 119.3(3) . . ?
C48 C47 H47 120.3 . . ?
C47 C48 C49 123.2(3) . . ?
C47 C48 C56 117.8(3) . . ?
C56 C48 C49 119.0(3) . . ?
C50 C49 C48 123.0(3) . . ?
C50 C49 C53 118.1(3) . . ?
C53 C49 C48 118.9(3) . . ?
C49 C50 H50 120.3 . . ?
C51 C50 C49 119.3(3) . . ?
C51 C50 H50 120.3 . . ?
C50 C51 H51 120.4 . . ?
C50 C51 C52 119.3(3) . . ?
C52 C51 H51 120.4 . . ?
N14 C52 C51 123.4(3) . . ?
N14 C52 H52 118.3 . . ?
C51 C52 H52 118.3 . . ?
N14 C53 C49 121.9(3) . . ?
N14 C53 C54 118.4(3) . . ?
C49 C53 C54 119.7(3) . . ?
C53 C54 H54 119.4 . . ?
C55 C54 C53 121.2(3) . . ?
C55 C54 H54 119.4 . . ?
C54 C55 H55 119.3 . . ?
C54 C55 C56 121.3(3) . . ?
C56 C55 H55 119.3 . . ?
N13 C56 C48 122.3(3) . . ?
N13 C56 C55 117.9(3) . . ?
C48 C56 C55 119.8(3) . . ?
C65 C64 C70 121.9(13) . . ?
C69 C64 C65 116.4(12) . . ?
C69 C64 C70 121.6(16) . . ?
C64 C65 H65 119.2 . . ?
C64 C65 C66 121.7(9) . . ?
C66 C65 H65 119.2 . . ?
C65 C66 H66 120.7 . . ?
C67 C66 C65 118.7(8) . . ?
C67 C66 H66 120.7 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.2(7) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 122.2 . . ?
C67 C68 C69 115.6(11) . . ?
C69 C68 H68 122.2 . . ?
C64 C69 C68 127.3(17) . . ?
C64 C69 H69 116.3 . . ?
C68 C69 H69 116.3 . . ?
C64 C70 H70A 109.5 . . ?
C64 C70 H70B 109.5 . . ?
C64 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C58 C57 C62 117.7(8) . . ?
C58 C57 C63 121.3(8) . . ?
C62 C57 C63 121.0(9) . . ?
C57 C58 H58 118.1 . . ?
C59 C58 C57 123.8(11) . . ?
C59 C58 H58 118.1 . . ?
C58 C59 H59 121.6 . . ?
C58 C59 C60 116.9(13) . . ?
C60 C59 H59 121.6 . . ?
C59 C60 H60 117.4 . . ?
C61 C60 C59 125.2(14) . . ?
C61 C60 H60 117.4 . . ?
C60 C61 H61 123.7 . . ?
C60 C61 C62 113(2) . . ?
C62 C61 H61 123.7 . . ?
C57 C62 C61 123.6(15) . . ?
C57 C62 H62 118.2 . . ?
C61 C62 H62 118.2 . . ?
C57 C63 H63A 109.5 . . ?
C57 C63 H63B 109.5 . . ?
C57 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N1 N2 Ag2 -12.6(3) . . . . ?
Ag1 N1 N2 C3 172.1(2) . . . . ?
Ag1 N1 C1 C2 -169.0(2) . . . . ?
Ag1 N1 C1 C4 14.2(5) . . . . ?
Ag1 N3 N4 Ag2 41.8(2) . . . . ?
Ag1 N3 N4 C8 -173.9(2) . . . . ?
Ag1 N3 C6 C7 171.8(2) . . . . ?
Ag1 N3 C6 C9 -7.9(5) . . . . ?
Ag1 N5 C11 C12 -179.7(2) . . . . ?
Ag1 N5 C22 C14 178.3(2) . . . . ?
Ag1 N5 C22 C21 -1.6(4) . . . . ?
Ag2 N2 C3 C2 -174.0(2) . . . . ?
Ag2 N2 C3 C5 4.0(5) . . . . ?
Ag2 N4 C8 C7 130.9(3) . . . . ?
Ag2 N4 C8 C10 -48.0(5) . . . . ?
Ag2 N7 C23 C24 -168.5(2) . . . . ?
Ag2 N7 C34 C26 166.8(2) . . . . ?
Ag2 N7 C34 C33 -13.1(4) . . . . ?
Ag2 N14 C52 C51 179.0(3) 1_565 . . . ?
Ag2 N14 C53 C49 -178.6(2) 1_565 . . . ?
Ag2 N14 C53 C54 2.9(4) 1_565 . . . ?
Ag3 N6 C18 C17 -165.5(3) . . . . ?
Ag3 N6 C19 C15 164.5(2) . . . . ?
Ag3 N6 C19 C20 -15.9(4) . . . . ?
Ag3 N9 N10 Ag4 -2.5(3) . . . . ?
Ag3 N9 N10 C37 -175.4(2) . . . . ?
Ag3 N9 C35 C36 174.2(2) . . . . ?
Ag3 N9 C35 C38 -10.0(5) . . . . ?
Ag3 N11 N12 Ag4 -6.8(3) . . . . ?
Ag3 N11 N12 C42 162.5(2) . . . . ?
Ag3 N11 C40 C41 -157.8(2) . . . . ?
Ag3 N11 C40 C43 21.5(5) . . . . ?
Ag4 N8 C30 C29 -166.5(2) . . . . ?
Ag4 N8 C31 C27 167.3(2) . . . . ?
Ag4 N8 C31 C32 -13.0(4) . . . . ?
Ag4 N10 C37 C36 -170.4(2) . . . . ?
Ag4 N10 C37 C39 10.3(5) . . . . ?
Ag4 N12 C42 C41 167.8(2) . . . . ?
Ag4 N12 C42 C44 -11.6(5) . . . . ?
Ag4 N13 C45 C46 -175.0(3) . . . . ?
Ag4 N13 C56 C48 175.5(2) . . . . ?
Ag4 N13 C56 C55 -3.6(4) . . . . ?
N1 N2 C3 C2 0.1(4) . . . . ?
N1 N2 C3 C5 178.1(3) . . . . ?
N1 C1 C2 C3 -0.2(4) . . . . ?
N1 C1 C4 F1 -146.7(3) . . . . ?
N1 C1 C4 F2 -24.4(4) . . . . ?
N1 C1 C4 F3 95.1(3) . . . . ?
N2 N1 C1 C2 0.3(3) . . . . ?
N2 N1 C1 C4 -176.5(3) . . . . ?
N2 C3 C5 F4 159.2(3) . . . . ?
N2 C3 C5 F5 38.2(4) . . . . ?
N2 C3 C5 F6 -81.5(4) . . . . ?
N3 N4 C8 C7 -0.4(4) . . . . ?
N3 N4 C8 C10 -179.3(3) . . . . ?
N3 C6 C7 C8 0.4(4) . . . . ?
N3 C6 C9 F7 -25.3(4) . . . . ?
N3 C6 C9 F8 94.5(4) . . . . ?
N3 C6 C9 F9 -144.2(3) . . . . ?
N4 N3 C6 C7 -0.6(4) . . . . ?
N4 N3 C6 C9 179.8(3) . . . . ?
N4 C8 C10 F10 -158.9(3) . . . . ?
N4 C8 C10 F11 -38.4(5) . . . . ?
N4 C8 C10 F12 81.9(5) . . . . ?
N5 C11 C12 C13 1.4(5) . . . . ?
N6 C19 C20 C21 -178.7(3) . . . . ?
N7 C23 C24 C25 0.7(5) . . . . ?
N8 C31 C32 C33 -177.6(3) . . . . ?
N9 N10 C37 C36 0.5(4) . . . . ?
N9 N10 C37 C39 -178.7(3) . . . . ?
N9 C35 C36 C37 0.2(4) . . . . ?
N9 C35 C38 F13 -75.3(4) . . . . ?
N9 C35 C38 F14 164.9(3) . . . . ?
N9 C35 C38 F15 44.8(4) . . . . ?
N10 N9 C35 C36 0.1(4) . . . . ?
N10 N9 C35 C38 175.9(3) . . . . ?
N10 C37 C39 F16 -62.1(4) . . . . ?
N10 C37 C39 F17 175.7(3) . . . . ?
N10 C37 C39 F18 55.5(4) . . . . ?
N11 N12 C42 C41 0.5(4) . . . . ?
N11 N12 C42 C44 -178.9(3) . . . . ?
N11 C40 C41 C42 -0.2(4) . . . . ?
N11 C40 C43 F19 5.3(8) . . . . ?
N11 C40 C43 F20 -132.8(7) . . . . ?
N11 C40 C43 F21 113.4(6) . . . . ?
N11 C40 C43 F19A -48.4(4) . . . . ?
N11 C40 C43 F20A -160.7(4) . . . . ?
N11 C40 C43 F21A 74.5(5) . . . . ?
N12 N11 C40 C41 0.5(4) . . . . ?
N12 N11 C40 C43 179.9(3) . . . . ?
N12 C42 C44 F22 41.4(4) . . . . ?
N12 C42 C44 F23 -79.4(4) . . . . ?
N12 C42 C44 F24 160.9(3) . . . . ?
N13 C45 C46 C47 -0.4(5) . . . . ?
N14 C53 C54 C55 176.8(3) . . . . ?
C1 N1 N2 Ag2 175.05(19) . . . . ?
C1 N1 N2 C3 -0.2(3) . . . . ?
C1 C2 C3 N2 0.0(4) . . . . ?
C1 C2 C3 C5 -177.8(3) . . . . ?
C2 C1 C4 F1 37.2(5) . . . . ?
C2 C1 C4 F2 159.5(3) . . . . ?
C2 C1 C4 F3 -80.9(4) . . . . ?
C2 C3 C5 F4 -23.2(5) . . . . ?
C2 C3 C5 F5 -144.2(3) . . . . ?
C2 C3 C5 F6 96.0(4) . . . . ?
C4 C1 C2 C3 176.2(3) . . . . ?
C6 N3 N4 Ag2 -143.8(2) . . . . ?
C6 N3 N4 C8 0.6(3) . . . . ?
C6 C7 C8 N4 0.0(4) . . . . ?
C6 C7 C8 C10 178.8(4) . . . . ?
C7 C6 C9 F7 155.1(3) . . . . ?
C7 C6 C9 F8 -85.1(4) . . . . ?
C7 C6 C9 F9 36.2(5) . . . . ?
C7 C8 C10 F10 22.4(6) . . . . ?
C7 C8 C10 F11 142.9(4) . . . . ?
C7 C8 C10 F12 -96.9(5) . . . . ?
C9 C6 C7 C8 180.0(3) . . . . ?
C11 N5 C22 C14 -1.4(4) . . . . ?
C11 N5 C22 C21 178.8(3) . . . . ?
C11 C12 C13 C14 -1.4(5) . . . . ?
C12 C13 C14 C15 179.4(3) . . . . ?
C12 C13 C14 C22 0.0(4) . . . . ?
C13 C14 C15 C16 -1.6(5) . . . . ?
C13 C14 C15 C19 178.7(3) . . . . ?
C13 C14 C22 N5 1.4(4) . . . . ?
C13 C14 C22 C21 -178.8(3) . . . . ?
C14 C15 C16 C17 -178.6(3) . . . . ?
C14 C15 C19 N6 -179.8(3) . . . . ?
C14 C15 C19 C20 0.7(4) . . . . ?
C15 C14 C22 N5 -178.0(3) . . . . ?
C15 C14 C22 C21 1.8(4) . . . . ?
C15 C16 C17 C18 -1.5(5) . . . . ?
C15 C19 C20 C21 0.8(4) . . . . ?
C16 C15 C19 N6 0.4(4) . . . . ?
C16 C15 C19 C20 -179.1(3) . . . . ?
C16 C17 C18 N6 0.1(5) . . . . ?
C18 N6 C19 C15 -1.7(4) . . . . ?
C18 N6 C19 C20 177.8(3) . . . . ?
C19 N6 C18 C17 1.5(5) . . . . ?
C19 C15 C16 C17 1.2(5) . . . . ?
C19 C20 C21 C22 -1.0(4) . . . . ?
C20 C21 C22 N5 179.5(3) . . . . ?
C20 C21 C22 C14 -0.4(4) . . . . ?
C22 N5 C11 C12 -0.1(5) . . . . ?
C22 C14 C15 C16 177.8(3) . . . . ?
C22 C14 C15 C19 -1.9(4) . . . . ?
C23 N7 C34 C26 -1.7(4) . . . . ?
C23 N7 C34 C33 178.5(3) . . . . ?
C23 C24 C25 C26 -1.0(4) . . . . ?
C24 C25 C26 C27 179.9(3) . . . . ?
C24 C25 C26 C34 0.0(4) . . . . ?
C25 C26 C27 C28 -1.1(4) . . . . ?
C25 C26 C27 C31 -179.9(3) . . . . ?
C25 C26 C34 N7 1.4(4) . . . . ?
C25 C26 C34 C33 -178.8(3) . . . . ?
C26 C27 C28 C29 -177.5(3) . . . . ?
C26 C27 C31 N8 178.1(3) . . . . ?
C26 C27 C31 C32 -1.6(4) . . . . ?
C27 C26 C34 N7 -178.5(3) . . . . ?
C27 C26 C34 C33 1.4(4) . . . . ?
C27 C28 C29 C30 0.0(5) . . . . ?
C27 C31 C32 C33 2.1(5) . . . . ?
C28 C27 C31 N8 -0.8(4) . . . . ?
C28 C27 C31 C32 179.5(3) . . . . ?
C28 C29 C30 N8 -2.1(5) . . . . ?
C30 N8 C31 C27 -1.1(4) . . . . ?
C30 N8 C31 C32 178.6(3) . . . . ?
C31 N8 C30 C29 2.6(5) . . . . ?
C31 C27 C28 C29 1.3(4) . . . . ?
C31 C32 C33 C34 -0.8(5) . . . . ?
C32 C33 C34 N7 178.9(3) . . . . ?
C32 C33 C34 C26 -0.9(5) . . . . ?
C34 N7 C23 C24 0.6(4) . . . . ?
C34 C26 C27 C28 178.7(3) . . . . ?
C34 C26 C27 C31 -0.1(4) . . . . ?
C35 N9 N10 Ag4 172.57(19) . . . . ?
C35 N9 N10 C37 -0.4(3) . . . . ?
C35 C36 C37 N10 -0.5(4) . . . . ?
C35 C36 C37 C39 178.7(3) . . . . ?
C36 C35 C38 F13 99.7(4) . . . . ?
C36 C35 C38 F14 -20.0(5) . . . . ?
C36 C35 C38 F15 -140.2(3) . . . . ?
C36 C37 C39 F16 118.9(4) . . . . ?
C36 C37 C39 F17 -3.4(6) . . . . ?
C36 C37 C39 F18 -123.6(4) . . . . ?
C38 C35 C36 C37 -175.1(3) . . . . ?
C40 N11 N12 Ag4 -170.0(2) . . . . ?
C40 N11 N12 C42 -0.6(3) . . . . ?
C40 C41 C42 N12 -0.2(4) . . . . ?
C40 C41 C42 C44 179.2(3) . . . . ?
C41 C40 C43 F19 -175.5(7) . . . . ?
C41 C40 C43 F20 46.4(8) . . . . ?
C41 C40 C43 F21 -67.4(7) . . . . ?
C41 C40 C43 F19A 130.8(4) . . . . ?
C41 C40 C43 F20A 18.5(6) . . . . ?
C41 C40 C43 F21A -106.3(5) . . . . ?
C41 C42 C44 F22 -137.9(4) . . . . ?
C41 C42 C44 F23 101.3(4) . . . . ?
C41 C42 C44 F24 -18.4(5) . . . . ?
C43 C40 C41 C42 -179.5(3) . . . . ?
C45 N13 C56 C48 -0.4(4) . . . . ?
C45 N13 C56 C55 -179.5(3) . . . . ?
C45 C46 C47 C48 -0.6(5) . . . . ?
C46 C47 C48 C49 -179.5(3) . . . . ?
C46 C47 C48 C56 1.0(5) . . . . ?
C47 C48 C49 C50 3.1(5) . . . . ?
C47 C48 C49 C53 -177.0(3) . . . . ?
C47 C48 C56 N13 -0.5(4) . . . . ?
C47 C48 C56 C55 178.5(3) . . . . ?
C48 C49 C50 C51 -179.9(3) . . . . ?
C48 C49 C53 N14 -179.7(3) . . . . ?
C48 C49 C53 C54 -1.2(4) . . . . ?
C49 C48 C56 N13 179.9(3) . . . . ?
C49 C48 C56 C55 -1.0(4) . . . . ?
C49 C50 C51 C52 0.0(5) . . . . ?
C49 C53 C54 C55 -1.7(5) . . . . ?
C50 C49 C53 N14 0.2(4) . . . . ?
C50 C49 C53 C54 178.6(3) . . . . ?
C50 C51 C52 N14 -0.8(5) . . . . ?
C52 N14 C53 C49 -0.9(4) . . . . ?
C52 N14 C53 C54 -179.4(3) . . . . ?
C53 N14 C52 C51 1.2(5) . . . . ?
C53 C49 C50 C51 0.3(5) . . . . ?
C53 C54 C55 C56 3.3(5) . . . . ?
C54 C55 C56 N13 177.2(3) . . . . ?
C54 C55 C56 C48 -1.9(5) . . . . ?
C56 N13 C45 C46 0.9(5) . . . . ?
C56 C48 C49 C50 -177.3(3) . . . . ?
C56 C48 C49 C53 2.5(4) . . . . ?
C64 C65 C66 C67 0.7(13) . . . . ?
C65 C64 C69 C68 5(3) . . . . ?
C65 C66 C67 C68 0.6(11) . . . . ?
C66 C67 C68 C69 0.6(16) . . . . ?
C67 C68 C69 C64 -4(3) . . . . ?
C69 C64 C65 C66 -3.2(19) . . . . ?
C70 C64 C65 C66 -179.3(11) . . . . ?
C70 C64 C69 C68 -179(2) . . . . ?
C57 C58 C59 C60 -2(2) . . . . ?
C58 C57 C62 C61 0.7(19) . . . . ?
C58 C59 C60 C61 4(3) . . . . ?
C59 C60 C61 C62 -3(3) . . . . ?
C60 C61 C62 C57 1(3) . . . . ?
C62 C57 C58 C59 -0.4(15) . . . . ?
C63 C57 C58 C59 -179.1(11) . . . . ?
C63 C57 C62 C61 179.4(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_dias7070m_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2021873'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-08-06 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_audit_creation_date             2019-07-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H11 Ag3 F18 N8'
_chemical_formula_sum            'C27 H11 Ag3 F18 N8'
_chemical_formula_weight         1113.05
_chemical_absolute_configuration ?
_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 0.0033 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'
F F 0.0171 0.0103 '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'

_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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   9.771(3)
_cell_length_b                   12.915(5)
_cell_length_c                   15.031(5)
_cell_angle_alpha                113.919(3)
_cell_angle_beta                 91.759(4)
_cell_angle_gamma                107.231(4)
_cell_volume                     1631.3(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9926
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.22
_shelx_estimated_absorpt_T_max   0.666
_shelx_estimated_absorpt_T_min   0.625
_exptl_absorpt_coefficient_mu    1.923
_exptl_absorpt_correction_T_max  0.3343
_exptl_absorpt_correction_T_min  0.2886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0567 before and 0.0501 after correction. The Ratio of minimum to maximum transmission is 0.8633. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.266
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       parallelpipeds
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_exptl_special_details           
'The data collection nominally covered a full sphere of reciprocal space by a combination of 4 sets of ω scans each set at different φ and/or 2θ angles and each scan (10 s exposure) covering -0.300° degrees in ω. The crystal to detector distance was 5.995 cm.'
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0608
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15085
_diffrn_reflns_point_group_measured_fraction_full 0.904
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.296
_diffrn_reflns_theta_min         1.505
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.731
_reflns_Friedel_fraction_full    0.814
_reflns_Friedel_fraction_max     0.709
_reflns_number_gt                13447
_reflns_number_total             13595
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'SMART V5.631 (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.466(19)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1010
_refine_ls_number_reflns         13595
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0315
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0388P)²+0.1143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0833
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.534(19)
 0.466(19)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7), C12(H12), C17(H17), C18(H18), C19(H19), C20(H20), C23(H23),
 C24(H24), C25(H25), C26(H26), C29(H29), C34(H34), C39(H39), C44(H44), C45(H45),
  C46(H46), C47(H47), C50(H50), C51(H51), C52(H52), C53(H53)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.42577(4) 0.61836(4) 0.77005(3) 0.01857(9) Uani 1 1 d . . . . .
Ag2 Ag 0.23031(4) 0.33640(3) 0.71581(3) 0.01941(10) Uani 1 1 d . . . . .
Ag3 Ag 0.57200(4) 0.46044(3) 0.85690(3) 0.01593(9) Uani 1 1 d . . . . .
F1 F 0.2466(8) 0.7861(5) 0.7149(6) 0.077(2) Uani 1 1 d . . . . .
F2 F 0.2266(7) 0.8255(4) 0.8643(5) 0.068(2) Uani 1 1 d . . . . .
F3 F 0.0489(5) 0.8008(4) 0.7653(5) 0.0488(13) Uani 1 1 d . . . . .
F4 F -0.1550(5) 0.2490(4) 0.5826(4) 0.0420(11) Uani 1 1 d . . . . .
F5 F -0.1176(5) 0.2673(5) 0.7305(5) 0.0561(16) Uani 1 1 d . . . . .
F6 F -0.2731(4) 0.3365(4) 0.6894(3) 0.0317(9) Uani 1 1 d . . . . .
F7 F 0.0640(5) 0.0788(4) 0.6375(4) 0.0404(11) Uani 1 1 d . . . . .
F8 F 0.1274(5) -0.0736(4) 0.6171(4) 0.0428(11) Uani 1 1 d . . . . .
F9 F 0.0268(4) 0.0011(4) 0.7396(3) 0.0354(9) Uani 1 1 d . . . . .
F10 F 0.7055(6) 0.3351(4) 0.9362(5) 0.0616(18) Uani 1 1 d . . . . .
F11 F 0.7006(5) 0.1558(5) 0.8467(4) 0.0400(10) Uani 1 1 d . . . . .
F12 F 0.5982(5) 0.1915(5) 0.9742(3) 0.0399(10) Uani 1 1 d . . . . .
F13 F 0.9228(7) 0.5627(5) 0.9403(4) 0.0579(16) Uani 1 1 d . . . . .
F14 F 0.8600(7) 0.6532(8) 1.0727(5) 0.081(3) Uani 1 1 d . . . . .
F15 F 1.0506(5) 0.7420(5) 1.0295(5) 0.0610(17) Uani 1 1 d . . . . .
F16 F 0.8159(4) 1.0138(3) 0.9135(3) 0.0313(9) Uani 1 1 d . . . . .
F17 F 0.6939(8) 0.8798(4) 0.7728(4) 0.0583(17) Uani 1 1 d . . . . .
F18 F 0.5880(5) 0.9284(4) 0.8977(5) 0.0571(16) Uani 1 1 d . . . . .
N1 N 0.1943(5) 0.5697(4) 0.7438(3) 0.0172(9) Uani 1 1 d . . . . .
N2 N 0.1139(5) 0.4539(4) 0.7205(3) 0.0148(9) Uani 1 1 d . . . . .
N3 N 0.3181(5) 0.2285(4) 0.7614(3) 0.0164(9) Uani 1 1 d . . . . .
N4 N 0.4513(5) 0.2804(4) 0.8194(4) 0.0168(9) Uani 1 1 d . . . . .
N5 N 0.6958(5) 0.6389(5) 0.8922(4) 0.0168(9) Uani 1 1 d . . . . .
N6 N 0.6400(5) 0.7036(4) 0.8573(4) 0.0166(9) Uani 1 1 d . . . . .
N7 N 0.4920(5) 0.4642(5) 0.6244(4) 0.0191(9) Uani 1 1 d . . . . .
N8 N 0.4172(5) 0.3534(5) 0.6014(4) 0.0188(9) Uani 1 1 d . . . . .
C1 C 0.1009(6) 0.6289(5) 0.7454(4) 0.0169(11) Uani 1 1 d . . . . .
C2 C -0.0414(6) 0.5527(5) 0.7219(4) 0.0187(11) Uani 1 1 d . . . . .
H2 H -0.128334 0.570402 0.717386 0.022 Uiso 1 1 calc R . . . .
C3 C -0.0259(6) 0.4437(5) 0.7067(4) 0.0164(10) Uani 1 1 d . . . . .
C4 C 0.1560(7) 0.7596(6) 0.7717(5) 0.0245(13) Uani 1 1 d . . . . .
C5 C -0.1407(6) 0.3252(6) 0.6789(5) 0.0219(12) Uani 1 1 d . . . . .
C6 C 0.2687(6) 0.1117(5) 0.7451(4) 0.0195(11) Uani 1 1 d . . . . .
C7 C 0.3699(7) 0.0854(5) 0.7913(4) 0.0189(11) Uani 1 1 d . . . . .
H7 H 0.363170 0.010693 0.791751 0.023 Uiso 1 1 calc R . . . .
C8 C 0.4823(7) 0.1933(5) 0.8363(4) 0.0194(11) Uani 1 1 d . . . . .
C9 C 0.1226(7) 0.0300(6) 0.6849(5) 0.0233(12) Uani 1 1 d . . . . .
C10 C 0.6211(8) 0.2192(6) 0.8982(5) 0.0280(13) Uani 1 1 d . . . . .
C11 C 0.8267(6) 0.7124(5) 0.9489(4) 0.0198(11) Uani 1 1 d . . . . .
C12 C 0.8590(7) 0.8263(6) 0.9524(5) 0.0215(12) Uani 1 1 d . . . . .
H12 H 0.943504 0.894838 0.986867 0.026 Uiso 1 1 calc R . . . .
C13 C 0.7386(6) 0.8163(5) 0.8936(4) 0.0182(11) Uani 1 1 d . . . . .
C14 C 0.9140(7) 0.6693(6) 0.9992(5) 0.0227(12) Uani 1 1 d . . . . .
C15 C 0.7093(7) 0.9101(6) 0.8699(5) 0.0244(12) Uani 1 1 d . . . . .
C16 C 0.6033(6) 0.4920(6) 0.5726(4) 0.0180(11) Uani 1 1 d . . . . .
C17 C 0.6752(7) 0.6160(6) 0.6005(5) 0.0237(12) Uani 1 1 d . . . . .
H17 H 0.646870 0.674938 0.651053 0.028 Uiso 1 1 calc R . . . .
C18 C 0.7868(7) 0.6502(6) 0.5535(5) 0.0235(12) Uani 1 1 d . . . . .
H18 H 0.835332 0.733208 0.571466 0.028 Uiso 1 1 calc R . . . .
C19 C 0.8294(7) 0.5627(6) 0.4788(5) 0.0246(12) Uani 1 1 d . . . . .
H19 H 0.907364 0.587129 0.447417 0.030 Uiso 1 1 calc R . . . .
C20 C 0.7584(7) 0.4415(6) 0.4508(5) 0.0234(12) Uani 1 1 d . . . . .
H20 H 0.788252 0.383495 0.400384 0.028 Uiso 1 1 calc R . . . .
C21 C 0.6417(6) 0.4026(6) 0.4965(4) 0.0184(11) Uani 1 1 d . . . . .
C22 C 0.5597(7) 0.2802(6) 0.4721(4) 0.0192(11) Uani 1 1 d . . . . .
C23 C 0.5828(7) 0.1794(6) 0.3995(5) 0.0264(13) Uani 1 1 d . . . . .
H23 H 0.659381 0.190448 0.363204 0.032 Uiso 1 1 calc R . . . .
C24 C 0.4960(8) 0.0657(6) 0.3806(5) 0.0278(13) Uani 1 1 d . . . . .
H24 H 0.513131 -0.001322 0.331149 0.033 Uiso 1 1 calc R . . . .
C25 C 0.3811(8) 0.0457(6) 0.4332(5) 0.0273(13) Uani 1 1 d . . . . .
H25 H 0.321214 -0.033974 0.418739 0.033 Uiso 1 1 calc R . . . .
C26 C 0.3572(7) 0.1416(6) 0.5048(5) 0.0242(12) Uani 1 1 d . . . . .
H26 H 0.280475 0.128774 0.540551 0.029 Uiso 1 1 calc R . . . .
C27 C 0.4462(7) 0.2608(5) 0.5263(4) 0.0195(11) Uani 1 1 d . . . . .
Ag4 Ag 0.77818(4) 0.62665(4) 0.26564(3) 0.01877(10) Uani 1 1 d . . . . .
Ag5 Ag 0.57929(4) 0.34016(4) 0.20510(3) 0.01987(10) Uani 1 1 d . . . . .
Ag6 Ag 0.48315(4) 0.56315(3) 0.37679(3) 0.01632(9) Uani 1 1 d . . . . .
F19 F 1.1294(5) 0.7077(4) 0.3194(4) 0.0429(12) Uani 1 1 d . . . . .
F20 F 1.1334(5) 0.6531(4) 0.1640(4) 0.0379(10) Uani 1 1 d . . . . .
F21 F 1.2724(4) 0.6126(4) 0.2492(3) 0.0285(8) Uani 1 1 d . . . . .
F22 F 0.9387(5) 0.1322(4) 0.1214(3) 0.0287(8) Uani 1 1 d . . . . .
F23 F 0.7152(4) 0.1261(4) 0.1140(3) 0.0319(9) Uani 1 1 d . . . . .
F24 F 0.8438(5) 0.1809(4) 0.2536(3) 0.0303(8) Uani 1 1 d . . . . .
F25 F 0.4151(5) 0.0687(4) 0.1599(3) 0.0365(10) Uani 1 1 d . . . . .
F26 F 0.2226(5) -0.0180(4) 0.2036(3) 0.0403(11) Uani 1 1 d . . . . .
F27 F 0.2037(5) 0.0403(4) 0.0899(3) 0.0349(9) Uani 1 1 d . . . . .
F28 F 0.2725(5) 0.5049(5) 0.5215(3) 0.0399(11) Uani 1 1 d . . . . .
F29 F 0.0795(7) 0.3509(5) 0.4838(4) 0.0630(17) Uani 1 1 d . . . . .
F30 F 0.0987(6) 0.4652(6) 0.4116(3) 0.0497(14) Uani 1 1 d . . . . .
F31 F 0.4733(6) 0.7717(6) 0.5930(4) 0.0495(13) Uani 1 1 d . . . . .
F32 F 0.3479(5) 0.7972(6) 0.4914(4) 0.0480(13) Uani 1 1 d . . . . .
F33 F 0.4910(8) 0.9495(5) 0.6141(5) 0.081(3) Uani 1 1 d . . . . .
F34 F 0.9721(5) 1.0713(4) 0.4496(4) 0.0407(11) Uani 1 1 d . . . . .
F35 F 1.0284(7) 0.9140(5) 0.3985(6) 0.076(2) Uani 1 1 d . . . . .
F36 F 0.8945(8) 0.9412(8) 0.3003(4) 0.102(4) Uani 1 1 d . . . . .
N9 N 0.8858(5) 0.4949(5) 0.2196(4) 0.0184(9) Uani 1 1 d . . . . .
N10 N 0.8066(5) 0.3797(5) 0.1990(3) 0.0164(9) Uani 1 1 d . . . . .
N11 N 0.3837(5) 0.2926(4) 0.2642(4) 0.0179(9) Uani 1 1 d . . . . .
N12 N 0.3536(5) 0.3847(5) 0.3352(4) 0.0172(9) Uani 1 1 d . . . . .
N13 N 0.6069(5) 0.7428(5) 0.4177(4) 0.0166(9) Uani 1 1 d . . . . .
N14 N 0.7256(5) 0.7727(4) 0.3763(4) 0.0186(9) Uani 1 1 d . . . . .
N15 N 0.5579(5) 0.5546(5) 0.1388(4) 0.0186(10) Uani 1 1 d . . . . .
N16 N 0.4842(5) 0.4414(5) 0.1130(4) 0.0189(10) Uani 1 1 d . . . . .
C28 C 1.0245(6) 0.5012(5) 0.2147(4) 0.0176(11) Uani 1 1 d . . . . .
C29 C 1.0390(7) 0.3902(6) 0.1898(4) 0.0211(12) Uani 1 1 d . . . . .
H29 H 1.124543 0.369123 0.180863 0.025 Uiso 1 1 calc R . . . .
C30 C 0.8988(6) 0.3171(5) 0.1811(4) 0.0166(10) Uani 1 1 d . . . . .
C31 C 1.1384(7) 0.6178(6) 0.2362(5) 0.0241(12) Uani 1 1 d . . . . .
C32 C 0.8480(7) 0.1899(6) 0.1663(4) 0.0219(12) Uani 1 1 d . . . . .
C33 C 0.2849(6) 0.1886(5) 0.2543(4) 0.0207(11) Uani 1 1 d . . . . .
C34 C 0.1866(7) 0.2119(6) 0.3199(5) 0.0229(12) Uani 1 1 d . . . . .
H34 H 0.105795 0.155963 0.328148 0.028 Uiso 1 1 calc R . . . .
C35 C 0.2362(6) 0.3364(6) 0.3695(4) 0.0206(11) Uani 1 1 d . . . . .
C36 C 0.2820(7) 0.0706(6) 0.1778(5) 0.0275(13) Uani 1 1 d . . . . .
C37 C 0.1718(7) 0.4149(6) 0.4469(4) 0.0248(13) Uani 1 1 d . . . . .
C38 C 0.5979(7) 0.8446(6) 0.4869(5) 0.0216(12) Uani 1 1 d . . . . .
C39 C 0.7091(8) 0.9437(6) 0.4929(5) 0.0277(13) Uani 1 1 d . . . . .
H39 H 0.727763 1.026220 0.535448 0.033 Uiso 1 1 calc R . . . .
C40 C 0.7870(7) 0.8939(6) 0.4217(4) 0.0229(12) Uani 1 1 d . . . . .
C41 C 0.4780(8) 0.8415(6) 0.5463(5) 0.0278(14) Uani 1 1 d . . . . .
C42 C 0.9189(8) 0.9548(6) 0.3924(5) 0.0333(15) Uani 1 1 d . . . . .
C43 C 0.5076(7) 0.6219(5) 0.1028(4) 0.0192(11) Uani 1 1 d . . . . .
C44 C 0.5969(7) 0.7432(6) 0.1341(5) 0.0223(12) Uani 1 1 d . . . . .
H44 H 0.687098 0.775032 0.177432 0.027 Uiso 1 1 calc R . . . .
C45 C 0.5508(8) 0.8147(6) 0.1006(5) 0.0256(13) Uani 1 1 d . . . . .
H45 H 0.607822 0.897078 0.122845 0.031 Uiso 1 1 calc R . . . .
C46 C 0.4197(8) 0.7654(7) 0.0337(5) 0.0284(14) Uani 1 1 d . . . . .
H46 H 0.391083 0.814517 0.009372 0.034 Uiso 1 1 calc R . . . .
C47 C 0.3330(7) 0.6492(6) 0.0030(5) 0.0234(12) Uani 1 1 d . . . . .
H47 H 0.244171 0.618407 -0.041406 0.028 Uiso 1 1 calc R . . . .
C48 C 0.3752(6) 0.5738(6) 0.0372(4) 0.0184(11) Uani 1 1 d . . . . .
C49 C 0.2902(6) 0.4506(5) 0.0110(4) 0.0171(11) Uani 1 1 d . . . . .
C50 C 0.1490(6) 0.3883(6) -0.0483(4) 0.0226(12) Uani 1 1 d . . . . .
H50 H 0.103735 0.429100 -0.073168 0.027 Uiso 1 1 calc R . . . .
C51 C 0.0785(7) 0.2711(7) -0.0695(5) 0.0265(13) Uani 1 1 d . . . . .
H51 H -0.016452 0.231783 -0.107899 0.032 Uiso 1 1 calc R . . . .
C52 C 0.1447(7) 0.2054(6) -0.0350(4) 0.0243(12) Uani 1 1 d . . . . .
H52 H 0.096369 0.122362 -0.052980 0.029 Uiso 1 1 calc R . . . .
C53 C 0.2795(7) 0.2649(6) 0.0246(4) 0.0217(12) Uani 1 1 d . . . . .
H53 H 0.323801 0.223365 0.049252 0.026 Uiso 1 1 calc R . . . .
C54 C 0.3517(6) 0.3873(5) 0.0490(4) 0.0178(11) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.3091(12) . ?
Ag1 N1 2.138(5) . ?
Ag1 N6 2.147(5) . ?
Ag1 N7 2.548(5) . ?
Ag2 N2 2.132(5) . ?
Ag2 N3 2.143(5) . ?
Ag2 N8 2.569(5) . ?
Ag3 N4 2.095(5) . ?
Ag3 N5 2.091(5) . ?
F1 C4 1.316(8) . ?
F2 C4 1.331(9) . ?
F3 C4 1.324(8) . ?
F4 C5 1.354(8) . ?
F5 C5 1.331(7) . ?
F6 C5 1.351(7) . ?
F7 C9 1.336(7) . ?
F8 C9 1.330(8) . ?
F9 C9 1.334(7) . ?
F10 C10 1.339(8) . ?
F11 C10 1.332(9) . ?
F12 C10 1.335(8) . ?
F13 C14 1.332(8) . ?
F14 C14 1.304(8) . ?
F15 C14 1.321(8) . ?
F16 C15 1.315(7) . ?
F17 C15 1.340(8) . ?
F18 C15 1.323(8) . ?
N1 N2 1.356(7) . ?
N1 C1 1.348(8) . ?
N2 C3 1.334(7) . ?
N3 N4 1.358(7) . ?
N3 C6 1.353(7) . ?
N4 C8 1.361(7) . ?
N5 N6 1.371(7) . ?
N5 C11 1.349(8) . ?
N6 C13 1.356(7) . ?
N7 N8 1.291(7) . ?
N7 C16 1.402(7) . ?
N8 C27 1.382(8) . ?
C1 C2 1.380(8) . ?
C1 C4 1.484(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(8) . ?
C3 C5 1.487(8) . ?
C6 C7 1.388(8) . ?
C6 C9 1.492(9) . ?
C7 H7 0.9500 . ?
C7 C8 1.374(8) . ?
C8 C10 1.489(9) . ?
C11 C12 1.387(8) . ?
C11 C14 1.481(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.391(8) . ?
C13 C15 1.493(8) . ?
C16 C17 1.416(9) . ?
C16 C21 1.412(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.411(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.418(8) . ?
C21 C22 1.427(9) . ?
C22 C23 1.405(9) . ?
C22 C27 1.419(8) . ?
C23 H23 0.9500 . ?
C23 C24 1.366(10) . ?
C24 H24 0.9500 . ?
C24 C25 1.414(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.361(10) . ?
C26 H26 0.9500 . ?
C26 C27 1.420(9) . ?
Ag4 Ag5 3.3462(12) . ?
Ag4 N9 2.151(5) . ?
Ag4 N14 2.162(5) . ?
Ag4 N15 2.501(5) . ?
Ag5 N10 2.140(5) . ?
Ag5 N11 2.161(5) . ?
Ag5 N16 2.568(5) . ?
Ag6 N12 2.088(5) . ?
Ag6 N13 2.088(5) . ?
F19 C31 1.344(8) . ?
F20 C31 1.341(8) . ?
F21 C31 1.344(7) . ?
F22 C32 1.348(7) . ?
F23 C32 1.327(7) . ?
F24 C32 1.365(7) . ?
F25 C36 1.341(9) . ?
F26 C36 1.333(8) . ?
F27 C36 1.351(7) . ?
F28 C37 1.332(8) . ?
F29 C37 1.329(8) . ?
F30 C37 1.322(8) . ?
F31 C41 1.340(9) . ?
F32 C41 1.322(9) . ?
F33 C41 1.318(8) . ?
F34 C42 1.317(8) . ?
F35 C42 1.341(10) . ?
F36 C42 1.328(10) . ?
N9 N10 1.356(7) . ?
N9 C28 1.340(7) . ?
N10 C30 1.345(7) . ?
N11 N12 1.356(7) . ?
N11 C33 1.348(7) . ?
N12 C35 1.358(7) . ?
N13 N14 1.361(7) . ?
N13 C38 1.336(8) . ?
N14 C40 1.352(8) . ?
N15 N16 1.306(8) . ?
N15 C43 1.381(8) . ?
N16 C54 1.391(7) . ?
C28 C29 1.381(9) . ?
C28 C31 1.483(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.381(8) . ?
C30 C32 1.486(9) . ?
C33 C34 1.405(8) . ?
C33 C36 1.482(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.385(9) . ?
C35 C37 1.498(9) . ?
C38 C39 1.381(9) . ?
C38 C41 1.495(9) . ?
C39 H39 0.9500 . ?
C39 C40 1.386(9) . ?
C40 C42 1.479(9) . ?
C43 C44 1.416(9) . ?
C43 C48 1.408(8) . ?
C44 H44 0.9500 . ?
C44 C45 1.386(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.406(10) . ?
C46 H46 0.9500 . ?
C46 C47 1.357(10) . ?
C47 H47 0.9500 . ?
C47 C48 1.419(9) . ?
C48 C49 1.437(9) . ?
C49 C50 1.425(8) . ?
C49 C54 1.416(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.357(10) . ?
C51 H51 0.9500 . ?
C51 C52 1.439(10) . ?
C52 H52 0.9500 . ?
C52 C53 1.377(9) . ?
C53 H53 0.9500 . ?
C53 C54 1.408(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
N1 Ag1 Ag2 62.53(13) . . ?
N1 Ag1 N6 155.96(19) . . ?
N1 Ag1 N7 106.90(17) . . ?
N6 Ag1 Ag2 122.00(13) . . ?
N6 Ag1 N7 95.59(17) . . ?
N7 Ag1 Ag2 66.45(11) . . ?
N2 Ag2 Ag1 63.03(13) . . ?
N2 Ag2 N3 158.73(18) . . ?
N2 Ag2 N8 107.25(17) . . ?
N3 Ag2 Ag1 120.76(13) . . ?
N3 Ag2 N8 92.56(17) . . ?
N8 Ag2 Ag1 67.08(12) . . ?
N5 Ag3 N4 178.7(2) . . ?
N2 N1 Ag1 117.6(4) . . ?
C1 N1 Ag1 135.0(4) . . ?
C1 N1 N2 107.4(5) . . ?
N1 N2 Ag2 116.8(4) . . ?
C3 N2 Ag2 135.7(4) . . ?
C3 N2 N1 107.5(4) . . ?
N4 N3 Ag2 118.9(4) . . ?
C6 N3 Ag2 133.7(4) . . ?
C6 N3 N4 107.5(5) . . ?
N3 N4 Ag3 120.0(4) . . ?
N3 N4 C8 107.2(5) . . ?
C8 N4 Ag3 132.6(4) . . ?
N6 N5 Ag3 119.2(4) . . ?
C11 N5 Ag3 132.9(4) . . ?
C11 N5 N6 107.8(5) . . ?
N5 N6 Ag1 118.5(4) . . ?
C13 N6 Ag1 134.2(4) . . ?
C13 N6 N5 107.2(5) . . ?
N8 N7 Ag1 114.9(4) . . ?
N8 N7 C16 120.1(5) . . ?
C16 N7 Ag1 124.9(4) . . ?
N7 N8 Ag2 111.6(4) . . ?
N7 N8 C27 120.7(5) . . ?
C27 N8 Ag2 127.7(4) . . ?
N1 C1 C2 111.0(5) . . ?
N1 C1 C4 120.5(5) . . ?
C2 C1 C4 128.6(5) . . ?
C1 C2 H2 128.7 . . ?
C1 C2 C3 102.7(5) . . ?
C3 C2 H2 128.7 . . ?
N2 C3 C2 111.5(5) . . ?
N2 C3 C5 119.7(5) . . ?
C2 C3 C5 128.8(5) . . ?
F1 C4 F2 106.5(7) . . ?
F1 C4 F3 107.5(6) . . ?
F1 C4 C1 112.7(5) . . ?
F2 C4 C1 112.5(5) . . ?
F3 C4 F2 105.4(6) . . ?
F3 C4 C1 111.8(6) . . ?
F4 C5 C3 112.2(5) . . ?
F5 C5 F4 106.1(6) . . ?
F5 C5 F6 107.6(5) . . ?
F5 C5 C3 114.0(5) . . ?
F6 C5 F4 104.9(5) . . ?
F6 C5 C3 111.5(5) . . ?
N3 C6 C7 110.8(5) . . ?
N3 C6 C9 120.7(5) . . ?
C7 C6 C9 128.4(5) . . ?
C6 C7 H7 128.3 . . ?
C8 C7 C6 103.4(5) . . ?
C8 C7 H7 128.3 . . ?
N4 C8 C7 111.1(5) . . ?
N4 C8 C10 121.6(5) . . ?
C7 C8 C10 127.3(5) . . ?
F7 C9 C6 112.5(5) . . ?
F8 C9 F7 107.1(5) . . ?
F8 C9 F9 106.0(5) . . ?
F8 C9 C6 112.1(6) . . ?
F9 C9 F7 106.2(6) . . ?
F9 C9 C6 112.5(5) . . ?
F10 C10 C8 113.0(5) . . ?
F11 C10 F10 106.5(7) . . ?
F11 C10 F12 106.4(5) . . ?
F11 C10 C8 111.7(6) . . ?
F12 C10 F10 106.8(6) . . ?
F12 C10 C8 112.0(6) . . ?
N5 C11 C12 110.7(5) . . ?
N5 C11 C14 120.9(5) . . ?
C12 C11 C14 128.4(6) . . ?
C11 C12 H12 128.2 . . ?
C11 C12 C13 103.7(5) . . ?
C13 C12 H12 128.2 . . ?
N6 C13 C12 110.6(5) . . ?
N6 C13 C15 120.5(5) . . ?
C12 C13 C15 128.9(5) . . ?
F13 C14 C11 113.2(5) . . ?
F14 C14 F13 104.1(6) . . ?
F14 C14 F15 109.9(7) . . ?
F14 C14 C11 113.3(5) . . ?
F15 C14 F13 104.3(6) . . ?
F15 C14 C11 111.5(5) . . ?
F16 C15 F17 106.9(6) . . ?
F16 C15 F18 107.6(6) . . ?
F16 C15 C13 111.5(5) . . ?
F17 C15 C13 112.2(5) . . ?
F18 C15 F17 106.2(6) . . ?
F18 C15 C13 112.1(5) . . ?
N7 C16 C17 116.0(5) . . ?
N7 C16 C21 122.6(6) . . ?
C21 C16 C17 121.4(5) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 C16 119.2(6) . . ?
C18 C17 H17 120.4 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.3(6) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.5(6) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.8(6) . . ?
C21 C20 H20 119.6 . . ?
C16 C21 C20 117.6(6) . . ?
C16 C21 C22 117.0(5) . . ?
C20 C21 C22 125.4(6) . . ?
C23 C22 C21 125.2(6) . . ?
C23 C22 C27 118.4(6) . . ?
C27 C22 C21 116.4(5) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.5(6) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.4(6) . . ?
C25 C24 H24 119.3 . . ?
C24 C25 H25 120.3 . . ?
C26 C25 C24 119.4(6) . . ?
C26 C25 H25 120.3 . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.4(6) . . ?
C27 C26 H26 119.8 . . ?
N8 C27 C22 123.1(6) . . ?
N8 C27 C26 117.0(6) . . ?
C22 C27 C26 119.9(6) . . ?
N9 Ag4 Ag5 62.03(14) . . ?
N9 Ag4 N14 152.77(19) . . ?
N9 Ag4 N15 108.59(18) . . ?
N14 Ag4 Ag5 120.72(13) . . ?
N14 Ag4 N15 96.31(18) . . ?
N15 Ag4 Ag5 68.34(12) . . ?
N10 Ag5 Ag4 62.67(14) . . ?
N10 Ag5 N11 155.83(18) . . ?
N10 Ag5 N16 106.50(17) . . ?
N11 Ag5 Ag4 122.04(13) . . ?
N11 Ag5 N16 95.75(17) . . ?
N16 Ag5 Ag4 64.20(12) . . ?
N13 Ag6 N12 178.3(2) . . ?
N10 N9 Ag4 118.0(3) . . ?
C28 N9 Ag4 133.9(4) . . ?
C28 N9 N10 107.8(5) . . ?
N9 N10 Ag5 117.2(3) . . ?
C30 N10 Ag5 135.6(4) . . ?
C30 N10 N9 107.2(5) . . ?
N12 N11 Ag5 116.5(3) . . ?
C33 N11 Ag5 135.2(4) . . ?
C33 N11 N12 108.0(5) . . ?
N11 N12 Ag6 121.0(4) . . ?
N11 N12 C35 107.7(5) . . ?
C35 N12 Ag6 131.3(4) . . ?
N14 N13 Ag6 121.2(4) . . ?
C38 N13 Ag6 131.0(4) . . ?
C38 N13 N14 107.7(5) . . ?
N13 N14 Ag4 117.2(4) . . ?
C40 N14 Ag4 135.5(4) . . ?
C40 N14 N13 107.3(5) . . ?
N16 N15 Ag4 111.1(4) . . ?
N16 N15 C43 121.3(5) . . ?
C43 N15 Ag4 127.5(4) . . ?
N15 N16 Ag5 116.3(3) . . ?
N15 N16 C54 119.7(5) . . ?
C54 N16 Ag5 123.4(4) . . ?
N9 C28 C29 110.9(5) . . ?
N9 C28 C31 120.2(5) . . ?
C29 C28 C31 128.9(5) . . ?
C28 C29 H29 128.5 . . ?
C30 C29 C28 103.1(5) . . ?
C30 C29 H29 128.5 . . ?
N10 C30 C29 111.0(5) . . ?
N10 C30 C32 120.4(5) . . ?
C29 C30 C32 128.2(5) . . ?
F19 C31 C28 112.2(5) . . ?
F20 C31 F19 106.6(6) . . ?
F20 C31 F21 106.3(5) . . ?
F20 C31 C28 113.5(5) . . ?
F21 C31 F19 106.3(5) . . ?
F21 C31 C28 111.4(5) . . ?
F22 C32 F24 105.3(5) . . ?
F22 C32 C30 111.6(5) . . ?
F23 C32 F22 107.8(5) . . ?
F23 C32 F24 105.5(5) . . ?
F23 C32 C30 114.0(5) . . ?
F24 C32 C30 112.2(5) . . ?
N11 C33 C34 110.4(5) . . ?
N11 C33 C36 121.5(6) . . ?
C34 C33 C36 127.9(6) . . ?
C33 C34 H34 128.4 . . ?
C35 C34 C33 103.1(5) . . ?
C35 C34 H34 128.4 . . ?
N12 C35 C34 110.7(5) . . ?
N12 C35 C37 121.1(6) . . ?
C34 C35 C37 128.1(5) . . ?
F25 C36 F27 105.8(6) . . ?
F25 C36 C33 112.7(5) . . ?
F26 C36 F25 107.4(6) . . ?
F26 C36 F27 106.5(5) . . ?
F26 C36 C33 111.7(6) . . ?
F27 C36 C33 112.3(5) . . ?
F28 C37 C35 112.5(5) . . ?
F29 C37 F28 108.0(6) . . ?
F29 C37 C35 110.5(6) . . ?
F30 C37 F28 106.2(6) . . ?
F30 C37 F29 107.0(6) . . ?
F30 C37 C35 112.4(5) . . ?
N13 C38 C39 111.2(6) . . ?
N13 C38 C41 120.6(6) . . ?
C39 C38 C41 128.2(6) . . ?
C38 C39 H39 128.4 . . ?
C38 C39 C40 103.2(6) . . ?
C40 C39 H39 128.4 . . ?
N14 C40 C39 110.6(5) . . ?
N14 C40 C42 120.4(6) . . ?
C39 C40 C42 129.1(6) . . ?
F31 C41 C38 112.5(6) . . ?
F32 C41 F31 105.2(6) . . ?
F32 C41 C38 112.6(6) . . ?
F33 C41 F31 107.1(7) . . ?
F33 C41 F32 106.9(7) . . ?
F33 C41 C38 111.9(6) . . ?
F34 C42 F35 105.0(6) . . ?
F34 C42 F36 107.0(7) . . ?
F34 C42 C40 112.5(6) . . ?
F35 C42 C40 112.6(6) . . ?
F36 C42 F35 106.8(8) . . ?
F36 C42 C40 112.4(6) . . ?
N15 C43 C44 116.8(6) . . ?
N15 C43 C48 122.6(5) . . ?
C48 C43 C44 120.6(6) . . ?
C43 C44 H44 120.5 . . ?
C45 C44 C43 119.0(6) . . ?
C45 C44 H44 120.5 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0(6) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 119.2 . . ?
C47 C46 C45 121.6(6) . . ?
C47 C46 H46 119.2 . . ?
C46 C47 H47 120.0 . . ?
C46 C47 C48 120.0(6) . . ?
C48 C47 H47 120.0 . . ?
C43 C48 C47 118.7(6) . . ?
C43 C48 C49 116.8(5) . . ?
C47 C48 C49 124.5(6) . . ?
C50 C49 C48 125.4(6) . . ?
C54 C49 C48 116.9(5) . . ?
C54 C49 C50 117.7(6) . . ?
C49 C50 H50 119.6 . . ?
C51 C50 C49 120.7(6) . . ?
C51 C50 H50 119.6 . . ?
C50 C51 H51 119.3 . . ?
C50 C51 C52 121.3(6) . . ?
C52 C51 H51 119.3 . . ?
C51 C52 H52 120.6 . . ?
C53 C52 C51 118.8(6) . . ?
C53 C52 H52 120.6 . . ?
C52 C53 H53 119.9 . . ?
C52 C53 C54 120.1(6) . . ?
C54 C53 H53 119.9 . . ?
N16 C54 C49 122.7(6) . . ?
N16 C54 C53 116.1(5) . . ?
C53 C54 C49 121.2(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.534(19)
2 0.466(19)

#===END
####################################################################### 
# 
# 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_dias30s
_database_code_depnum_ccdc_archive 'CCDC 2021872'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-08-06 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_audit_creation_date             2020-08-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C22 H18 Ag2 F12 N8'
_chemical_formula_sum            'C22 H18 Ag2 F12 N8'
_chemical_formula_weight         838.18
_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 0.0033 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'
F F 0.0171 0.0103 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.9948(16)
_cell_length_b                   9.2604(19)
_cell_length_c                   10.149(2)
_cell_angle_alpha                95.903(3)
_cell_angle_beta                 99.779(3)
_cell_angle_gamma                113.145(2)
_cell_volume                     668.9(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    5734
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.579
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.723911
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS v.2.10 (Bruker,2003) was used for absorption correction. R(int) was 0.0270 before and 0.0155 after correction. The Ratio of minimum to maximum transmission is 0.7239. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rods
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0154
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6216
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.280
_diffrn_reflns_theta_min         2.073
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3063
_reflns_number_total             3176
_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       'SAINT v7.06A (Bruker, 2003)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.06A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.990
_refine_diff_density_min         -0.676
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     201
_refine_ls_number_reflns         3176
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0218
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0331P)²+0.5602P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0568
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C14(H14)
2.b Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Ag Ag 0.51096(2) 0.31716(2) 0.99511(2) 0.01699(6) Uani 1 1 d . . . . .
N1 N 0.2742(2) 0.06007(19) 1.02219(16) 0.0154(3) Uani 1 1 d . . . . .
C1 C 0.2952(2) -0.0692(2) 0.97228(19) 0.0150(3) Uani 1 1 d . . . . .
H1 H 0.346450 -0.063746 0.894124 0.018 Uiso 1 1 calc R . . . .
C2 C 0.1879(2) 0.0480(2) 1.12657(19) 0.0157(3) Uani 1 1 d . . . . .
N2 N 0.2522(2) -0.20543(19) 1.01982(16) 0.0155(3) Uani 1 1 d . . . . .
C3 C 0.1253(3) -0.0935(2) 1.17644(19) 0.0176(4) Uani 1 1 d . . . . .
H3 H 0.057267 -0.104789 1.245796 0.021 Uiso 1 1 calc R . . . .
C4 C 0.1638(2) -0.2184(2) 1.12306(19) 0.0161(3) Uani 1 1 d . . . . .
C5 C 0.1671(3) 0.1934(2) 1.1858(2) 0.0188(4) Uani 1 1 d . . . . .
H5A H 0.132557 0.244266 1.112204 0.028 Uiso 1 1 calc GR . . . .
H5B H 0.285807 0.268920 1.246552 0.028 Uiso 1 1 calc GR . . . .
H5C H 0.069392 0.162182 1.237359 0.028 Uiso 1 1 calc GR . . . .
C6 C 0.1082(3) -0.3715(2) 1.1764(2) 0.0210(4) Uani 1 1 d . . . . .
H6A H 0.202715 -0.413375 1.172583 0.032 Uiso 1 1 calc GR . . . .
H6B H -0.012894 -0.449766 1.120599 0.032 Uiso 1 1 calc GR . . . .
H6C H 0.098248 -0.351569 1.270846 0.032 Uiso 1 1 calc GR . . . .
N11 N 0.3968(2) 0.37170(18) 0.79694(16) 0.0147(3) Uani 1 1 d . . . . .
N12 N 0.3801(2) 0.51293(18) 0.80230(16) 0.0149(3) Uani 1 1 d . . . . .
C13 C 0.3300(3) 0.2941(2) 0.66659(19) 0.0159(3) Uani 1 1 d . . . . .
C14 C 0.2681(3) 0.3818(2) 0.58405(19) 0.0177(4) Uani 1 1 d . . . . .
H14 H 0.214843 0.355023 0.488959 0.021 Uiso 1 1 calc R . . . .
C15 C 0.3034(3) 0.5182(2) 0.67507(19) 0.0154(3) Uani 1 1 d . . . . .
F16C F 0.2977(3) 0.09497(18) 0.49128(14) 0.0409(4) Uani 1 1 d . . . . .
F16B F 0.4818(2) 0.12214(17) 0.68029(17) 0.0392(4) Uani 1 1 d . . . . .
F16A F 0.1887(2) 0.01621(16) 0.66181(18) 0.0400(4) Uani 1 1 d . . . . .
C16 C 0.3251(3) 0.1335(2) 0.6252(2) 0.0177(4) Uani 1 1 d . . . . .
F17C F 0.41223(17) 0.79791(14) 0.69958(13) 0.0227(2) Uani 1 1 d . . . . .
F17B F 0.2238(2) 0.65285(16) 0.51045(13) 0.0320(3) Uani 1 1 d . . . . .
F17A F 0.12118(17) 0.66543(15) 0.69204(14) 0.0258(3) Uani 1 1 d . . . . .
C17 C 0.2655(3) 0.6574(2) 0.64446(19) 0.0178(4) 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
Ag N1 2.4690(16) . ?
Ag N2 2.5070(16) 2_657 ?
Ag N11 2.2541(16) . ?
Ag N12 2.2607(16) 2_667 ?
N1 C1 1.334(2) . ?
N1 C2 1.350(2) . ?
C1 N2 1.335(2) . ?
C2 C3 1.390(3) . ?
C2 C5 1.499(3) . ?
N2 C4 1.350(2) . ?
C3 C4 1.390(3) . ?
C4 C6 1.499(3) . ?
N11 N12 1.362(2) . ?
N11 C13 1.347(2) . ?
N12 C15 1.346(2) . ?
C13 C14 1.385(3) . ?
C13 C16 1.487(3) . ?
C14 C15 1.385(3) . ?
C15 C17 1.487(3) . ?
F16C C16 1.326(2) . ?
F16B C16 1.331(2) . ?
F16A C16 1.341(2) . ?
F17C C17 1.345(2) . ?
F17B C17 1.336(2) . ?
F17A C17 1.348(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag N2 92.83(5) . 2_657 ?
N11 Ag N1 106.89(5) . . ?
N11 Ag N2 113.75(5) . 2_657 ?
N11 Ag N12 124.81(6) . 2_667 ?
N12 Ag N1 108.42(5) 2_667 . ?
N12 Ag N2 105.38(5) 2_667 2_657 ?
C1 N1 Ag 115.13(12) . . ?
C1 N1 C2 116.38(16) . . ?
C2 N1 Ag 122.07(12) . . ?
N1 C1 N2 127.32(17) . . ?
N1 C2 C3 120.40(17) . . ?
N1 C2 C5 117.02(17) . . ?
C3 C2 C5 122.58(17) . . ?
C1 N2 Ag 111.89(12) . 2_657 ?
C1 N2 C4 116.13(16) . . ?
C4 N2 Ag 122.46(12) . 2_657 ?
C2 C3 C4 118.84(17) . . ?
N2 C4 C3 120.61(17) . . ?
N2 C4 C6 117.70(17) . . ?
C3 C4 C6 121.70(17) . . ?
N12 N11 Ag 117.10(11) . . ?
C13 N11 Ag 135.53(13) . . ?
C13 N11 N12 107.32(15) . . ?
N11 N12 Ag 117.91(11) . 2_667 ?
C15 N12 Ag 134.84(13) . 2_667 ?
C15 N12 N11 107.20(15) . . ?
N11 C13 C14 111.43(16) . . ?
N11 C13 C16 121.34(16) . . ?
C14 C13 C16 127.22(17) . . ?
C15 C14 C13 102.53(16) . . ?
N12 C15 C14 111.53(16) . . ?
N12 C15 C17 121.30(17) . . ?
C14 C15 C17 127.17(17) . . ?
F16C C16 C13 111.70(16) . . ?
F16C C16 F16B 106.97(17) . . ?
F16C C16 F16A 106.36(17) . . ?
F16B C16 C13 113.14(16) . . ?
F16B C16 F16A 105.02(17) . . ?
F16A C16 C13 113.11(16) . . ?
F17C C17 C15 112.54(16) . . ?
F17C C17 F17A 105.57(15) . . ?
F17B C17 C15 111.38(16) . . ?
F17B C17 F17C 107.14(16) . . ?
F17B C17 F17A 106.49(16) . . ?
F17A C17 C15 113.26(16) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_dias906m
_database_code_depnum_ccdc_archive 'CCDC 2021870'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-08-06 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT973_dias906m            
;
PROBLEM: Check Calcd Positive Resid. Density on       Ag1       2.50 eA-3
RESPONSE: We have checked this issue carefully and found that it is due to residual electron density at 0.05A from silver atom, which is understandable
;
_vrf_PLAT973_dias906m_2          
;
PROBLEM: Check Calcd Positive Resid. Density on       Ag2       2.43 eA-3
RESPONSE: This is understandable and due to residual electron density at 0.05A from silver atom
;
# Added during the CSD deposition process: Thursday 06 August 2020 12:54 PM
# end Validation Reply Form

_audit_creation_date             2020-08-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C44 H16 Ag4 Br4 F24 N12'
_chemical_formula_sum            'C44 H16 Ag4 Br4 F24 N12'
_chemical_formula_weight         1919.81
_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 0.0033 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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.344(2)
_cell_length_b                   11.818(2)
_cell_length_c                   11.899(2)
_cell_angle_alpha                114.407(2)
_cell_angle_beta                 108.836(2)
_cell_angle_gamma                96.696(2)
_cell_volume                     1315.7(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7164
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.639
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1030 before and 0.0371 after correction. The Ratio of minimum to maximum transmission is 0.7022. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.423
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11283
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         1.977
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4849
_reflns_number_total             5329
_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       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.559
_refine_diff_density_min         -1.482
_refine_diff_density_rms         0.218
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5329
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0378
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0777P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1028
_refine_ls_wR_factor_ref         0.1057
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.58691(2) 0.38333(3) 0.47340(3) 0.01896(10) Uani 1 1 d . . . . .
Ag2 Ag 0.83402(3) 0.62075(2) 0.68161(3) 0.02117(11) Uani 1 1 d . . . . .
Br1 Br 1.08888(3) 0.18742(3) 0.56382(4) 0.01985(11) Uani 1 1 d . . . . .
Br2 Br 0.66693(4) 0.62437(4) 1.07542(4) 0.02459(12) Uani 1 1 d . . . . .
F1 F 0.6252(2) 0.0867(2) 0.3775(3) 0.0332(6) Uani 1 1 d . . . . .
F2 F 0.7720(2) 0.0455(2) 0.5086(2) 0.0314(5) Uani 1 1 d . . . . .
F3 F 0.7770(2) 0.0210(2) 0.3225(2) 0.0321(6) Uani 1 1 d . . . . .
F4 F 1.2180(2) 0.4883(2) 0.6790(2) 0.0280(5) Uani 1 1 d . . . . .
F5 F 1.1477(2) 0.5617(2) 0.8361(2) 0.0265(5) Uani 1 1 d . . . . .
F6 F 1.1118(2) 0.6291(2) 0.6892(2) 0.0247(5) Uani 1 1 d . . . . .
F7 F 0.5919(2) 0.2657(2) 0.0650(2) 0.0296(5) Uani 1 1 d . . . . .
F8 F 0.5516(3) 0.1956(2) 0.1931(2) 0.0373(6) Uani 1 1 d . . . . .
F9 F 0.4033(2) 0.1426(2) -0.0005(2) 0.0291(5) Uani 1 1 d . . . . .
F10 F 0.8018(2) 0.4010(2) 0.8193(3) 0.0380(6) Uani 1 1 d . . . . .
F11 F 0.6620(3) 0.3362(3) 0.8818(3) 0.0391(6) Uani 1 1 d . . . . .
F12 F 0.6194(2) 0.2588(2) 0.6705(2) 0.0305(5) Uani 1 1 d . . . . .
N1 N 0.7803(3) 0.3337(3) 0.5164(3) 0.0178(6) Uani 1 1 d . . . . .
N2 N 0.8784(3) 0.4459(3) 0.5899(3) 0.0182(6) Uani 1 1 d . . . . .
N3 N 0.4846(3) 0.4177(3) 0.3032(3) 0.0186(6) Uani 1 1 d . . . . .
N4 N 0.5608(3) 0.4772(3) 0.6696(3) 0.0194(6) Uani 1 1 d . . . . .
N5 N 0.9048(3) 0.7391(3) 0.9208(3) 0.0190(6) Uani 1 1 d . . . . .
N6 N 0.7652(3) 0.7923(3) 0.7209(3) 0.0199(6) Uani 1 1 d . . . . .
C1 C 0.8337(3) 0.2351(3) 0.4972(3) 0.0168(7) Uani 1 1 d . . . . .
C2 C 0.9684(3) 0.2835(3) 0.5582(3) 0.0173(7) Uani 1 1 d . . . . .
C3 C 0.9929(3) 0.4162(3) 0.6158(3) 0.0168(7) Uani 1 1 d . . . . .
C4 C 0.7516(3) 0.0978(3) 0.4246(4) 0.0190(7) Uani 1 1 d . . . . .
C5 C 1.1183(3) 0.5242(3) 0.7046(4) 0.0196(7) Uani 1 1 d . . . . .
C6 C 0.4588(3) 0.3571(3) 0.1704(4) 0.0173(7) Uani 1 1 d . . . . .
C7 C 0.5016(3) 0.2416(4) 0.1080(4) 0.0195(7) Uani 1 1 d . . . . .
C8 C 0.6139(3) 0.4730(3) 0.7867(4) 0.0191(7) Uani 1 1 d . . . . .
C9 C 0.6037(3) 0.5763(4) 0.8912(4) 0.0182(7) Uani 1 1 d . . . . .
C10 C 0.6731(4) 0.3677(4) 0.7897(4) 0.0242(8) Uani 1 1 d . . . . .
C11 C 0.6924(3) 0.8164(4) 0.6245(4) 0.0221(8) Uani 1 1 d . . . . .
H11 H 0.669525 0.755945 0.532581 0.027 Uiso 1 1 calc R . . . .
C12 C 0.6483(4) 0.9267(4) 0.6532(4) 0.0236(8) Uani 1 1 d . . . . .
H12 H 0.595475 0.939549 0.581753 0.028 Uiso 1 1 calc R . . . .
C13 C 0.6824(4) 1.0167(4) 0.7864(4) 0.0245(8) Uani 1 1 d . . . . .
H13 H 0.653755 1.092307 0.808055 0.029 Uiso 1 1 calc R . . . .
C14 C 0.7602(3) 0.9944(3) 0.8891(4) 0.0199(7) Uani 1 1 d . . . . .
C15 C 0.7978(3) 0.8793(3) 0.8523(4) 0.0181(7) Uani 1 1 d . . . . .
C16 C 0.8735(3) 0.8527(3) 0.9571(4) 0.0177(7) Uani 1 1 d . . . . .
C17 C 0.9129(3) 0.9439(3) 1.0953(4) 0.0191(7) Uani 1 1 d . . . . .
C18 C 0.9843(3) 0.9140(4) 1.1930(4) 0.0229(8) Uani 1 1 d . . . . .
H18 H 1.012181 0.973362 1.286276 0.028 Uiso 1 1 calc R . . . .
C19 C 1.0147(4) 0.7985(4) 1.1546(4) 0.0238(8) Uani 1 1 d . . . . .
H19 H 1.062618 0.776627 1.220505 0.029 Uiso 1 1 calc R . . . .
C20 C 0.9736(3) 0.7138(4) 1.0166(4) 0.0213(8) Uani 1 1 d . . . . .
H20 H 0.996006 0.634625 0.990316 0.026 Uiso 1 1 calc R . . . .
C21 C 0.8040(4) 1.0866(3) 1.0298(4) 0.0231(8) Uani 1 1 d . . . . .
H21 H 0.781155 1.165558 1.054193 0.028 Uiso 1 1 calc R . . . .
C22 C 0.8771(4) 1.0631(3) 1.1282(4) 0.0221(8) Uani 1 1 d . . . . .
H22 H 0.905240 1.126015 1.220374 0.026 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.1312(5) . ?
Ag1 N1 2.289(3) . ?
Ag1 N3 2.210(3) . ?
Ag1 N4 2.270(3) . ?
Ag2 N2 2.109(3) . ?
Ag2 N5 2.382(3) . ?
Ag2 N6 2.182(3) . ?
Br1 C2 1.878(3) . ?
Br2 C9 1.871(4) . ?
F1 C4 1.328(4) . ?
F2 C4 1.352(4) . ?
F3 C4 1.326(4) . ?
F4 C5 1.333(4) . ?
F5 C5 1.346(4) . ?
F6 C5 1.333(4) . ?
F7 C7 1.336(4) . ?
F8 C7 1.341(4) . ?
F9 C7 1.341(4) . ?
F10 C10 1.353(5) . ?
F11 C10 1.331(5) . ?
F12 C10 1.338(4) . ?
N1 N2 1.353(4) . ?
N1 C1 1.346(4) . ?
N2 C3 1.358(4) . ?
N3 N4 1.355(4) 2_666 ?
N3 C6 1.346(5) . ?
N4 C8 1.352(5) . ?
N5 C16 1.358(4) . ?
N5 C20 1.328(5) . ?
N6 C11 1.338(5) . ?
N6 C15 1.360(5) . ?
C1 C2 1.388(5) . ?
C1 C4 1.489(5) . ?
C2 C3 1.375(5) . ?
C3 C5 1.504(5) . ?
C6 C7 1.483(5) . ?
C6 C9 1.390(5) 2_666 ?
C8 C9 1.386(5) . ?
C8 C10 1.489(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.400(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.382(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.401(5) . ?
C14 C15 1.411(5) . ?
C14 C21 1.438(5) . ?
C15 C16 1.445(5) . ?
C16 C17 1.419(5) . ?
C17 C18 1.389(5) . ?
C17 C22 1.444(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.373(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.398(5) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.353(6) . ?
C22 H22 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 Ag2 64.96(7) . . ?
N3 Ag1 Ag2 108.45(8) . . ?
N3 Ag1 N1 125.72(11) . . ?
N3 Ag1 N4 120.57(11) . . ?
N4 Ag1 Ag2 72.95(8) . . ?
N4 Ag1 N1 108.90(11) . . ?
N2 Ag2 Ag1 66.69(8) . . ?
N2 Ag2 N5 121.19(11) . . ?
N2 Ag2 N6 164.64(12) . . ?
N5 Ag2 Ag1 127.66(7) . . ?
N6 Ag2 Ag1 105.58(8) . . ?
N6 Ag2 N5 74.15(11) . . ?
N2 N1 Ag1 108.4(2) . . ?
C1 N1 Ag1 143.9(2) . . ?
C1 N1 N2 107.7(3) . . ?
N1 N2 Ag2 118.2(2) . . ?
N1 N2 C3 108.2(3) . . ?
C3 N2 Ag2 131.3(2) . . ?
N4 N3 Ag1 118.1(2) 2_666 . ?
C6 N3 Ag1 133.5(2) . . ?
C6 N3 N4 108.4(3) . 2_666 ?
N3 N4 Ag1 118.5(2) 2_666 . ?
C8 N4 Ag1 131.4(2) . . ?
C8 N4 N3 107.5(3) . 2_666 ?
C16 N5 Ag2 110.7(2) . . ?
C20 N5 Ag2 130.0(2) . . ?
C20 N5 C16 119.1(3) . . ?
C11 N6 Ag2 124.4(3) . . ?
C11 N6 C15 118.3(3) . . ?
C15 N6 Ag2 117.3(2) . . ?
N1 C1 C2 109.9(3) . . ?
N1 C1 C4 121.4(3) . . ?
C2 C1 C4 128.7(3) . . ?
C1 C2 Br1 127.1(3) . . ?
C3 C2 Br1 128.2(3) . . ?
C3 C2 C1 104.7(3) . . ?
N2 C3 C2 109.4(3) . . ?
N2 C3 C5 119.2(3) . . ?
C2 C3 C5 131.3(3) . . ?
F1 C4 F2 106.0(3) . . ?
F1 C4 C1 112.4(3) . . ?
F2 C4 C1 110.8(3) . . ?
F3 C4 F1 108.1(3) . . ?
F3 C4 F2 105.5(3) . . ?
F3 C4 C1 113.5(3) . . ?
F4 C5 F5 107.5(3) . . ?
F4 C5 C3 111.8(3) . . ?
F5 C5 C3 110.8(3) . . ?
F6 C5 F4 107.6(3) . . ?
F6 C5 F5 106.8(3) . . ?
F6 C5 C3 112.1(3) . . ?
N3 C6 C7 122.4(3) . . ?
N3 C6 C9 109.9(3) . 2_666 ?
C9 C6 C7 127.6(3) 2_666 . ?
F7 C7 F8 106.9(3) . . ?
F7 C7 F9 105.8(3) . . ?
F7 C7 C6 112.6(3) . . ?
F8 C7 C6 112.7(3) . . ?
F9 C7 F8 106.0(3) . . ?
F9 C7 C6 112.2(3) . . ?
N4 C8 C9 110.3(3) . . ?
N4 C8 C10 120.3(3) . . ?
C9 C8 C10 129.4(3) . . ?
C6 C9 Br2 126.8(3) 2_666 . ?
C8 C9 Br2 129.2(3) . . ?
C8 C9 C6 104.0(3) . 2_666 ?
F10 C10 C8 112.4(3) . . ?
F11 C10 F10 106.2(3) . . ?
F11 C10 F12 107.1(3) . . ?
F11 C10 C8 112.6(3) . . ?
F12 C10 F10 105.8(3) . . ?
F12 C10 C8 112.4(3) . . ?
N6 C11 H11 118.5 . . ?
N6 C11 C12 123.0(4) . . ?
C12 C11 H11 118.5 . . ?
C11 C12 H12 120.4 . . ?
C13 C12 C11 119.2(4) . . ?
C13 C12 H12 120.4 . . ?
C12 C13 H13 120.6 . . ?
C12 C13 C14 118.8(3) . . ?
C14 C13 H13 120.6 . . ?
C13 C14 C15 118.7(3) . . ?
C13 C14 C21 121.7(3) . . ?
C15 C14 C21 119.6(3) . . ?
N6 C15 C14 122.0(3) . . ?
N6 C15 C16 118.8(3) . . ?
C14 C15 C16 119.2(3) . . ?
N5 C16 C15 118.8(3) . . ?
N5 C16 C17 121.1(3) . . ?
C17 C16 C15 120.1(3) . . ?
C16 C17 C22 118.8(3) . . ?
C18 C17 C16 118.3(3) . . ?
C18 C17 C22 123.0(3) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 119.9(3) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.7 . . ?
C18 C19 C20 118.7(4) . . ?
C20 C19 H19 120.7 . . ?
N5 C20 C19 122.9(3) . . ?
N5 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C14 C21 H21 119.4 . . ?
C22 C21 C14 121.2(3) . . ?
C22 C21 H21 119.4 . . ?
C17 C22 H22 119.5 . . ?
C21 C22 C17 121.1(3) . . ?
C21 C22 H22 119.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_dias904m
_database_code_depnum_ccdc_archive 'CCDC 2021869'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2020-08-06 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_audit_creation_date             2019-07-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C44 H16 Ag4 Cl4 F24 N12'
_chemical_formula_sum            'C44 H16 Ag4 Cl4 F24 N12'
_chemical_formula_weight         1741.97
_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 0.0033 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2824(10)
_cell_length_b                   11.8130(10)
_cell_length_c                   11.8889(10)
_cell_angle_alpha                115.4070(10)
_cell_angle_beta                 109.1150(10)
_cell_angle_gamma                96.3290(10)
_cell_volume                     1292.69(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7878
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.838
_shelx_estimated_absorpt_T_min   0.657
_exptl_absorpt_coefficient_mu    1.836
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0533 before and 0.0280 after correction. The Ratio of minimum to maximum transmission is 0.8317. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.238
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0169
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12785
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.294
_diffrn_reflns_theta_min         1.997
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5825
_reflns_number_total             6326
_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       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.339
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6326
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0290
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0440P)²+1.1192P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0770
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.58574(2) -0.12068(2) 0.46896(2) 0.01917(6) Uani 1 1 d . . . . .
Ag2 Ag 0.83758(2) 0.11672(2) 0.68042(2) 0.02135(6) Uani 1 1 d . . . . .
Cl1 Cl 1.07728(6) -0.31641(6) 0.56301(6) 0.02277(12) Uani 1 1 d . . . . .
Cl2 Cl 0.65985(7) 0.11701(7) 1.06247(6) 0.03108(15) Uani 1 1 d . . . . .
F1 F 0.76207(19) -0.46175(17) 0.50306(18) 0.0385(4) Uani 1 1 d . . . . .
F2 F 0.62063(16) -0.42426(17) 0.3627(2) 0.0411(5) Uani 1 1 d . . . . .
F3 F 0.77677(17) -0.49366(15) 0.31900(17) 0.0332(4) Uani 1 1 d . . . . .
F4 F 1.21996(15) -0.02535(16) 0.67609(18) 0.0345(4) Uani 1 1 d . . . . .
F5 F 1.11781(16) 0.12070(15) 0.69211(16) 0.0279(3) Uani 1 1 d . . . . .
F6 F 1.15208(16) 0.05157(17) 0.83660(15) 0.0326(4) Uani 1 1 d . . . . .
F7 F 0.59037(16) -0.23493(16) 0.05896(18) 0.0333(4) Uani 1 1 d . . . . .
F8 F 0.5481(2) -0.30850(18) 0.18266(18) 0.0409(4) Uani 1 1 d . . . . .
F9 F 0.39951(16) -0.35935(15) -0.01186(17) 0.0331(4) Uani 1 1 d . . . . .
F10 F 0.80288(17) -0.10282(18) 0.8150(2) 0.0401(4) Uani 1 1 d . . . . .
F11 F 0.6644(2) -0.16404(18) 0.88048(18) 0.0408(4) Uani 1 1 d . . . . .
F12 F 0.61793(17) -0.24541(15) 0.66535(16) 0.0312(4) Uani 1 1 d . . . . .
N1 N 0.77879(19) -0.17436(19) 0.5100(2) 0.0176(4) Uani 1 1 d . . . . .
N2 N 0.8800(2) -0.0620(2) 0.5858(2) 0.0191(4) Uani 1 1 d . . . . .
N3 N 0.48131(19) -0.08474(19) 0.3001(2) 0.0182(4) Uani 1 1 d . . . . .
N4 N 0.5642(2) -0.0216(2) 0.6705(2) 0.0191(4) Uani 1 1 d . . . . .
N5 N 0.7690(2) 0.2902(2) 0.7201(2) 0.0194(4) Uani 1 1 d . . . . .
N6 N 0.9072(2) 0.2384(2) 0.9218(2) 0.0189(4) Uani 1 1 d . . . . .
C1 C 0.8306(2) -0.2747(2) 0.4904(2) 0.0174(4) Uani 1 1 d . . . . .
C2 C 0.9672(2) -0.2275(2) 0.5543(2) 0.0173(4) Uani 1 1 d . . . . .
C3 C 0.9941(2) -0.0939(2) 0.6132(2) 0.0176(4) Uani 1 1 d . . . . .
C4 C 0.7469(2) -0.4128(2) 0.4175(2) 0.0200(5) Uani 1 1 d . . . . .
C5 C 1.1211(2) 0.0127(2) 0.7036(2) 0.0218(5) Uani 1 1 d . . . . .
C6 C 0.4573(2) -0.1433(2) 0.1666(2) 0.0178(4) Uani 1 1 d . . . . .
C7 C 0.4990(2) -0.2613(2) 0.0999(2) 0.0208(5) Uani 1 1 d . . . . .
C8 C 0.6153(2) -0.0281(2) 0.7860(2) 0.0192(4) Uani 1 1 d . . . . .
C9 C 0.6049(2) 0.0756(2) 0.8936(2) 0.0197(4) Uani 1 1 d . . . . .
C10 C 0.6743(3) -0.1344(3) 0.7873(3) 0.0235(5) Uani 1 1 d . . . . .
C11 C 0.6964(2) 0.3137(2) 0.6232(3) 0.0219(5) Uani 1 1 d . . . . .
H11 H 0.675422 0.252918 0.530265 0.026 Uiso 1 1 calc R . . . .
C12 C 0.6498(2) 0.4230(3) 0.6513(3) 0.0243(5) Uani 1 1 d . . . . .
H12 H 0.595709 0.434257 0.578879 0.029 Uiso 1 1 calc R . . . .
C13 C 0.6836(2) 0.5144(2) 0.7861(3) 0.0231(5) Uani 1 1 d . . . . .
H13 H 0.654006 0.590140 0.807553 0.028 Uiso 1 1 calc R . . . .
C14 C 0.7620(2) 0.4947(2) 0.8914(3) 0.0194(4) Uani 1 1 d . . . . .
C15 C 0.8007(2) 0.3785(2) 0.8536(2) 0.0177(4) Uani 1 1 d . . . . .
C16 C 0.8759(2) 0.3522(2) 0.9599(2) 0.0171(4) Uani 1 1 d . . . . .
C17 C 0.9136(2) 0.4465(2) 1.0989(2) 0.0185(4) Uani 1 1 d . . . . .
C18 C 0.9853(2) 0.4164(2) 1.1985(2) 0.0213(5) Uani 1 1 d . . . . .
H18 H 1.012180 0.476342 1.293042 0.026 Uiso 1 1 calc R . . . .
C19 C 1.0161(2) 0.3006(3) 1.1589(3) 0.0225(5) Uani 1 1 d . . . . .
H19 H 1.064593 0.279405 1.225352 0.027 Uiso 1 1 calc R . . . .
C20 C 0.9752(2) 0.2137(2) 1.0188(3) 0.0224(5) Uani 1 1 d . . . . .
H20 H 0.997059 0.133569 0.992021 0.027 Uiso 1 1 calc R . . . .
C21 C 0.8045(2) 0.5880(2) 1.0333(3) 0.0224(5) Uani 1 1 d . . . . .
H21 H 0.780680 0.667086 1.058178 0.027 Uiso 1 1 calc R . . . .
C22 C 0.8779(2) 0.5654(2) 1.1324(3) 0.0212(5) Uani 1 1 d . . . . .
H22 H 0.906294 0.629620 1.225900 0.025 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.1263(3) . ?
Ag1 N1 2.2931(19) . ?
Ag1 N3 2.211(2) . ?
Ag1 N4 2.282(2) . ?
Ag2 N2 2.119(2) . ?
Ag2 N5 2.187(2) . ?
Ag2 N6 2.378(2) . ?
Cl1 C2 1.718(2) . ?
Cl2 C9 1.712(2) . ?
F1 C4 1.347(3) . ?
F2 C4 1.321(3) . ?
F3 C4 1.329(3) . ?
F4 C5 1.333(3) . ?
F5 C5 1.344(3) . ?
F6 C5 1.346(3) . ?
F7 C7 1.336(3) . ?
F8 C7 1.329(3) . ?
F9 C7 1.335(3) . ?
F10 C10 1.347(3) . ?
F11 C10 1.329(3) . ?
F12 C10 1.344(3) . ?
N1 N2 1.358(3) . ?
N1 C1 1.344(3) . ?
N2 C3 1.357(3) . ?
N3 N4 1.359(3) 2_656 ?
N3 C6 1.345(3) . ?
N4 C8 1.344(3) . ?
N5 C11 1.334(3) . ?
N5 C15 1.363(3) . ?
N6 C16 1.350(3) . ?
N6 C20 1.327(3) . ?
C1 C2 1.395(3) . ?
C1 C4 1.488(3) . ?
C2 C3 1.371(3) . ?
C3 C5 1.492(3) . ?
C6 C7 1.494(3) . ?
C6 C9 1.389(3) 2_656 ?
C8 C9 1.391(3) . ?
C8 C10 1.488(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.397(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.379(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.405(4) . ?
C14 C15 1.417(3) . ?
C14 C21 1.432(4) . ?
C15 C16 1.452(3) . ?
C16 C17 1.418(3) . ?
C17 C18 1.407(3) . ?
C17 C22 1.430(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.369(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.402(4) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.351(4) . ?
C22 H22 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 Ag2 65.15(5) . . ?
N3 Ag1 Ag2 108.36(5) . . ?
N3 Ag1 N1 126.48(7) . . ?
N3 Ag1 N4 120.04(7) . . ?
N4 Ag1 Ag2 72.46(5) . . ?
N4 Ag1 N1 108.53(7) . . ?
N2 Ag2 Ag1 66.97(6) . . ?
N2 Ag2 N5 164.26(8) . . ?
N2 Ag2 N6 121.69(7) . . ?
N5 Ag2 Ag1 104.85(5) . . ?
N5 Ag2 N6 74.05(7) . . ?
N6 Ag2 Ag1 126.90(5) . . ?
N2 N1 Ag1 108.53(14) . . ?
C1 N1 Ag1 144.03(16) . . ?
C1 N1 N2 107.42(19) . . ?
N1 N2 Ag2 117.69(15) . . ?
C3 N2 Ag2 131.38(16) . . ?
C3 N2 N1 108.41(19) . . ?
N4 N3 Ag1 118.64(14) 2_656 . ?
C6 N3 Ag1 133.26(16) . . ?
C6 N3 N4 107.95(19) . 2_656 ?
N3 N4 Ag1 118.82(14) 2_656 . ?
C8 N4 Ag1 131.45(16) . . ?
C8 N4 N3 107.91(19) . 2_656 ?
C11 N5 Ag2 124.63(17) . . ?
C11 N5 C15 118.3(2) . . ?
C15 N5 Ag2 117.08(16) . . ?
C16 N6 Ag2 111.44(15) . . ?
C20 N6 Ag2 129.91(16) . . ?
C20 N6 C16 118.5(2) . . ?
N1 C1 C2 110.1(2) . . ?
N1 C1 C4 121.8(2) . . ?
C2 C1 C4 128.0(2) . . ?
C1 C2 Cl1 127.72(18) . . ?
C3 C2 Cl1 127.65(18) . . ?
C3 C2 C1 104.6(2) . . ?
N2 C3 C2 109.5(2) . . ?
N2 C3 C5 119.4(2) . . ?
C2 C3 C5 131.0(2) . . ?
F1 C4 C1 111.4(2) . . ?
F2 C4 F1 106.6(2) . . ?
F2 C4 F3 108.0(2) . . ?
F2 C4 C1 112.4(2) . . ?
F3 C4 F1 104.9(2) . . ?
F3 C4 C1 113.1(2) . . ?
F4 C5 F5 107.2(2) . . ?
F4 C5 F6 107.7(2) . . ?
F4 C5 C3 111.9(2) . . ?
F5 C5 F6 105.8(2) . . ?
F5 C5 C3 112.6(2) . . ?
F6 C5 C3 111.3(2) . . ?
N3 C6 C7 122.5(2) . . ?
N3 C6 C9 110.2(2) . 2_656 ?
C9 C6 C7 127.2(2) 2_656 . ?
F7 C7 C6 111.6(2) . . ?
F8 C7 F7 107.3(2) . . ?
F8 C7 F9 106.6(2) . . ?
F8 C7 C6 112.6(2) . . ?
F9 C7 F7 106.1(2) . . ?
F9 C7 C6 112.1(2) . . ?
N4 C8 C9 110.2(2) . . ?
N4 C8 C10 120.8(2) . . ?
C9 C8 C10 128.9(2) . . ?
C6 C9 Cl2 126.92(19) 2_656 . ?
C6 C9 C8 103.7(2) 2_656 . ?
C8 C9 Cl2 129.35(19) . . ?
F10 C10 C8 112.6(2) . . ?
F11 C10 F10 106.5(2) . . ?
F11 C10 F12 107.4(2) . . ?
F11 C10 C8 112.3(2) . . ?
F12 C10 F10 105.3(2) . . ?
F12 C10 C8 112.2(2) . . ?
N5 C11 H11 118.3 . . ?
N5 C11 C12 123.4(2) . . ?
C12 C11 H11 118.3 . . ?
C11 C12 H12 120.6 . . ?
C13 C12 C11 118.8(2) . . ?
C13 C12 H12 120.6 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.6(2) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C15 117.9(2) . . ?
C13 C14 C21 122.3(2) . . ?
C15 C14 C21 119.8(2) . . ?
N5 C15 C14 122.0(2) . . ?
N5 C15 C16 118.9(2) . . ?
C14 C15 C16 119.1(2) . . ?
N6 C16 C15 118.4(2) . . ?
N6 C16 C17 122.7(2) . . ?
C17 C16 C15 119.0(2) . . ?
C16 C17 C22 119.9(2) . . ?
C18 C17 C16 117.1(2) . . ?
C18 C17 C22 123.0(2) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.8(2) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 120.5 . . ?
C18 C19 C20 119.0(2) . . ?
C20 C19 H19 120.5 . . ?
N6 C20 C19 122.9(2) . . ?
N6 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C14 C21 H21 119.5 . . ?
C22 C21 C14 121.1(2) . . ?
C22 C21 H21 119.5 . . ?
C17 C22 H22 119.5 . . ?
C21 C22 C17 121.0(2) . . ?
C21 C22 H22 119.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
