# 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 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_Complex_11
_database_code_depnum_ccdc_archive 'CCDC 2062330'
loop_
_audit_author_name
_audit_author_address
'Sizwe Zamisa'
;University of KwaZulu Natal
South Africa
;
_audit_update_record             
;
2021-02-09 deposited with the CCDC.	2021-08-06 downloaded from the CCDC.
;
_audit_creation_date             2019-06-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C24 H18 Ag F2 N4, 1.05(C0.95 F2.85 O2.85 S0.95)'
_chemical_formula_sum            'C25 H18 Ag F5 N4 O3 S'
_chemical_formula_weight         657.36
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'
'x-1/2, y, -z-1/2'

_cell_length_a                   8.0138(4)
_cell_length_b                   28.7538(15)
_cell_length_c                   10.6307(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2449.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9991
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.20
_cell_measurement_theta_min      2.83
_shelx_estimated_absorpt_T_max   0.908
_shelx_estimated_absorpt_T_min   0.706
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction. 
wR2(int) was 0.0948 before and 0.0430 after correction. The Ratio 
of minimum to maximum transmission is 0.9020. The λ/2 correction 
factor is 0.0015.
;

_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0163
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            41592
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.248
_diffrn_reflns_theta_min         1.416
_diffrn_ambient_temperature      99.99
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'sealed X-ray tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2784
_reflns_number_total             3083
_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       'COSMO (Bruker, V1.61, 2009)'
_computing_data_collection       'COSMO (Bruker, V1.61, 2009)'
_computing_data_reduction        'SAINT (Bruker)'
_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-2013 (Sheldrick, 2008)'
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3083
_refine_ls_number_restraints     200
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0236
_refine_ls_restrained_S_all      1.046
_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)+(0.0200P)²+2.4864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0548
_refine_ls_wR_factor_ref         0.0568
_refine_special_details          ?

_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
F3 F 0.63326(13) 1.03111(3) 1.07259(9) 0.0205(2) Uani 1 1 d . . . . .
N1 N 1.05411(18) 0.82405(5) 0.87649(13) 0.0162(3) Uani 1 1 d . U . . .
N2 N 0.81599(17) 0.98566(5) 0.89733(12) 0.0143(3) Uani 1 1 d . . . . .
C1 C 0.68336(19) 1.05590(6) 0.97068(14) 0.0145(3) Uani 1 1 d . . . . .
C2 C 0.6427(2) 1.10236(6) 0.96450(15) 0.0165(3) Uani 1 1 d . . . . .
H2 H 0.577126 1.116447 1.028485 0.020 Uiso 1 1 calc R . . . .
C3 C 0.6994(2) 1.12820(6) 0.86283(15) 0.0176(3) Uani 1 1 d . . . . .
H3 H 0.674666 1.160454 0.857556 0.021 Uiso 1 1 calc R . . . .
C4 C 0.7925(2) 1.10688(6) 0.76869(15) 0.0169(3) Uani 1 1 d . . . . .
H4 H 0.829274 1.124511 0.698380 0.020 Uiso 1 1 calc R . . . .
C5 C 0.8320(2) 1.06000(6) 0.77687(15) 0.0154(3) Uani 1 1 d . . . . .
H5 H 0.894474 1.045709 0.711493 0.018 Uiso 1 1 calc R . . . .
C6 C 0.7808(2) 1.03352(5) 0.88035(14) 0.0136(3) Uani 1 1 d . . . . .
C7 C 0.9496(2) 0.96906(5) 0.85011(14) 0.0139(3) Uani 1 1 d . . . . .
H7 H 1.025597 0.989002 0.807743 0.017 Uiso 1 1 calc R . . . .
C8 C 0.98650(19) 0.91901(5) 0.86110(14) 0.0128(3) Uani 1 1 d . . . . .
C9 C 1.09281(19) 0.89761(5) 0.77555(15) 0.0143(3) Uani 1 1 d . . . . .
H9 H 1.144030 0.915192 0.710474 0.017 Uiso 1 1 calc R . . . .
C10 C 1.1232(2) 0.85037(6) 0.78628(15) 0.0163(3) Uani 1 1 d . . . . .
H10 H 1.195915 0.836016 0.727353 0.020 Uiso 1 1 calc R . . . .
C11 C 0.9533(2) 0.84500(6) 0.96036(15) 0.0169(3) Uani 1 1 d . . . . .
H11 H 0.905524 0.826715 1.025521 0.020 Uiso 1 1 calc R . . . .
C12 C 0.9159(2) 0.89197(6) 0.95599(15) 0.0153(3) Uani 1 1 d . . . . .
H12 H 0.843490 0.905522 1.016527 0.018 Uiso 1 1 calc R . . . .
Ag1A Ag 1.09360(4) 0.750000 0.87571(2) 0.01961(7) Uani 0.95 2 d S TU P A 1
Ag1B Ag 1.0114(6) 0.750000 0.8613(5) 0.0187(8) Uani 0.05 2 d S TU P A 2
S1A S 0.53174(8) 0.750000 0.94806(6) 0.01796(13) Uani 0.95 2 d S TU P B 1
F1A F 0.6717(2) 0.71268(5) 1.14731(13) 0.0351(4) Uani 0.95 1 d . U . B 1
F2A F 0.4458(2) 0.750000 1.18624(16) 0.0325(4) Uani 0.95 2 d S TU P B 1
O1A O 0.6927(3) 0.750000 0.8873(2) 0.0224(5) Uani 0.95 2 d S TU P B 1
O2A O 0.4375(3) 0.79201(8) 0.9335(2) 0.0457(6) Uani 0.95 1 d . U . B 1
C1A C 0.5835(3) 0.750000 1.1156(2) 0.0173(5) Uani 0.95 2 d S TU P B 1
S1B S 0.6348(14) 0.7505(15) 1.0239(10) 0.015(2) Uani 0.025 1 d D U . B -1
F1B F 0.404(6) 0.7939(15) 0.910(4) 0.011(5) Uani 0.025 1 d D U . B -1
F2B F 0.316(3) 0.747(2) 1.067(2) 0.014(4) Uani 0.025 1 d D U . B -1
F3B F 0.407(4) 0.7155(12) 0.885(3) 0.010(4) Uani 0.025 1 d D U . B -1
O1B O 0.737(4) 0.754(2) 0.910(3) 0.011(5) Uani 0.025 1 d D U . B -1
O2B O 0.643(6) 0.789(2) 1.112(4) 0.015(5) Uani 0.025 1 d D U . B -1
O3B O 0.642(5) 0.7033(15) 1.085(4) 0.015(5) Uani 0.025 1 d D U . B -1
C1B C 0.412(5) 0.7519(12) 0.964(2) 0.012(4) Uani 0.025 1 d D U . B -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
F3 C1 1.3576(18) . ?
N1 C10 1.341(2) . ?
N1 C11 1.346(2) . ?
N1 Ag1A 2.1527(14) . ?
N1 Ag1B 2.1627(17) . ?
N2 C6 1.4162(19) . ?
N2 C7 1.275(2) . ?
C1 C2 1.377(2) . ?
C1 C6 1.395(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.388(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.391(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.387(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.399(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.474(2) . ?
C8 C9 1.390(2) . ?
C8 C12 1.394(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(2) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.384(2) . ?
C12 H12 0.9500 . ?
S1A O1A 1.442(2) . ?
S1A O2A 1.4331(19) . ?
S1A O2A 1.4330(19) 7_575 ?
S1A C1A 1.829(3) . ?
S1A S1B 1.154(11) . ?
S1A F1B 1.68(4) . ?
S1A F2B 2.14(2) . ?
S1A F3B 1.56(3) . ?
S1A O1B 1.70(4) . ?
S1A O3B 2.17(4) . ?
S1A C1B 0.97(4) . ?
F1A C1A 1.328(2) . ?
F1A S1B 1.73(3) . ?
F1A O3B 0.75(5) . ?
F2A C1A 1.334(3) . ?
F2A F2B 1.65(2) . ?
O1A S1B 1.524(11) . ?
O2A C1B 1.21(4) . ?
C1A S1B 1.059(11) . ?
C1A O2B 1.23(6) . ?
C1A O3B 1.46(4) . ?
S1B O1B 1.47(3) . ?
S1B O2B 1.46(8) . ?
S1B O3B 1.51(7) . ?
S1B C1B 1.89(5) . ?
F1B C1B 1.34(3) . ?
F2B C1B 1.35(3) . ?
F3B C1B 1.34(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C10 N1 C11 117.98(14) . . ?
C10 N1 Ag1A 119.64(11) . . ?
C10 N1 Ag1B 124.56(16) . . ?
C11 N1 Ag1A 122.24(11) . . ?
C11 N1 Ag1B 113.28(16) . . ?
C7 N2 C6 118.74(14) . . ?
F3 C1 C2 118.52(14) . . ?
F3 C1 C6 118.22(14) . . ?
C2 C1 C6 123.19(15) . . ?
C1 C2 H2 120.7 . . ?
C1 C2 C3 118.61(15) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.01(15) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.37(15) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.73(15) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 N2 118.16(14) . . ?
C1 C6 C5 117.02(14) . . ?
C5 C6 N2 124.78(14) . . ?
N2 C7 H7 119.9 . . ?
N2 C7 C8 120.18(15) . . ?
C8 C7 H7 119.9 . . ?
C9 C8 C7 120.21(14) . . ?
C9 C8 C12 118.41(14) . . ?
C12 C8 C7 121.37(14) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 C8 119.21(15) . . ?
C10 C9 H9 120.4 . . ?
N1 C10 C9 122.67(15) . . ?
N1 C10 H10 118.7 . . ?
C9 C10 H10 118.7 . . ?
N1 C11 H11 118.5 . . ?
N1 C11 C12 122.98(15) . . ?
C12 C11 H11 118.5 . . ?
C8 C12 H12 120.6 . . ?
C11 C12 C8 118.73(15) . . ?
C11 C12 H12 120.6 . . ?
N1 Ag1A N1 163.09(8) . 7_575 ?
N1 Ag1B N1 159.8(3) . 7_575 ?
O1A S1A C1A 103.50(12) . . ?
O1A S1A F1B 116.0(18) . . ?
O1A S1A F2B 170.2(8) . . ?
O1A S1A F3B 112.5(14) . . ?
O1A S1A O1B 13.4(14) . . ?
O1A S1A O3B 86.4(12) . . ?
O2A S1A O1A 115.03(11) . . ?
O2A S1A O1A 115.03(11) 7_575 . ?
O2A S1A O2A 114.9(2) 7_575 . ?
O2A S1A C1A 102.98(10) . . ?
O2A S1A C1A 102.98(10) 7_575 . ?
O2A S1A F1B 10.5(16) . . ?
O2A S1A F1B 106.7(16) 7_575 . ?
O2A S1A F2B 66.7(15) 7_575 . ?
O2A S1A F2B 70.8(16) . . ?
O2A S1A F3B 98.7(14) . . ?
O2A S1A F3B 23.0(13) 7_575 . ?
O2A S1A O1B 123(2) 7_575 . ?
O2A S1A O1B 115(2) . . ?
O2A S1A O3B 76.5(13) 7_575 . ?
O2A S1A O3B 144.0(13) . . ?
C1A S1A F2B 67.0(7) . . ?
C1A S1A O3B 41.7(13) . . ?
S1B S1A O1A 70.9(6) . . ?
S1B S1A O2A 116(2) . . ?
S1B S1A O2A 118(2) . 7_575 ?
S1B S1A C1A 32.6(6) . . ?
S1B S1A F1B 127(3) . . ?
S1B S1A F2B 99.6(8) . . ?
S1B S1A F3B 140(2) . . ?
S1B S1A O1B 58.2(13) . . ?
S1B S1A O3B 41(3) . . ?
F1B S1A C1A 112.0(16) . . ?
F1B S1A F2B 71.3(14) . . ?
F1B S1A O1B 118(3) . . ?
F1B S1A O3B 151(2) . . ?
F2B S1A O3B 84.8(15) . . ?
F3B S1A C1A 124.2(14) . . ?
F3B S1A F1B 89.0(18) . . ?
F3B S1A F2B 73.0(14) . . ?
F3B S1A O1B 125(2) . . ?
F3B S1A O3B 99.0(18) . . ?
O1B S1A C1A 90.8(13) . . ?
O1B S1A F2B 157.7(14) . . ?
O1B S1A O3B 79.2(17) . . ?
C1B S1A O1A 163.2(17) . . ?
C1B S1A O2A 57(2) . . ?
C1B S1A O2A 63(2) . 7_575 ?
C1B S1A C1A 93.0(17) . . ?
C1B S1A S1B 125.5(18) . . ?
C1B S1A F1B 53.1(18) . . ?
C1B S1A F2B 26.6(17) . . ?
C1B S1A F3B 58.7(18) . . ?
C1B S1A O1B 172(3) . . ?
C1B S1A O3B 109(2) . . ?
C1A F1A S1B 37.7(8) . . ?
O3B F1A C1A 84(3) . . ?
O3B F1A S1B 60(4) . . ?
C1A F2A F2B 95.2(8) . . ?
S1A O1A S1B 45.7(4) . . ?
C1B O2A S1A 42.2(19) . . ?
F1A C1A S1A 111.58(13) . . ?
F1A C1A S1A 111.57(13) 7_575 . ?
F1A C1A F1A 107.8(2) . 7_575 ?
F1A C1A F2A 107.27(15) 7_575 . ?
F1A C1A F2A 107.27(15) . . ?
F1A C1A O3B 30.8(17) . . ?
F1A C1A O3B 128.9(18) 7_575 . ?
F2A C1A S1A 111.13(18) . . ?
F2A C1A O3B 113.0(17) . . ?
S1B C1A S1A 36.0(6) . . ?
S1B C1A F1A 92.2(19) . . ?
S1B C1A F1A 90.9(19) . 7_575 ?
S1B C1A F2A 147.1(7) . . ?
S1B C1A O2B 79(4) . . ?
S1B C1A O3B 72(3) . . ?
O2B C1A S1A 93(2) . . ?
O2B C1A F1A 123(3) . . ?
O2B C1A F1A 20(2) . 7_575 ?
O2B C1A F2A 110(3) . . ?
O2B C1A O3B 136(3) . . ?
O3B C1A S1A 81.8(17) . . ?
S1A S1B F1A 130(3) . . ?
S1A S1B O1A 63.4(5) . . ?
S1A S1B O1B 79.9(15) . . ?
S1A S1B O2B 119(4) . . ?
S1A S1B O3B 109(4) . . ?
S1A S1B C1B 24.8(7) . . ?
F1A S1B C1B 115.4(19) . . ?
O1A S1B F1A 132(2) . . ?
O1A S1B C1B 88.1(8) . . ?
C1A S1B S1A 111.4(10) . . ?
C1A S1B F1A 50.1(12) . . ?
C1A S1B O1A 174.7(16) . . ?
C1A S1B O1B 168(3) . . ?
C1A S1B O2B 56(2) . . ?
C1A S1B O3B 67(2) . . ?
C1A S1B C1B 86.8(9) . . ?
O1B S1B F1A 125(3) . . ?
O1B S1B O1A 17.1(17) . . ?
O1B S1B O3B 114(4) . . ?
O1B S1B C1B 104.3(16) . . ?
O2B S1B F1A 89(2) . . ?
O2B S1B O1A 127(4) . . ?
O2B S1B O1B 116(4) . . ?
O2B S1B O3B 114.2(19) . . ?
O2B S1B C1B 104(3) . . ?
O3B S1B F1A 25.6(18) . . ?
O3B S1B O1A 113(3) . . ?
O3B S1B C1B 102(3) . . ?
C1B F1B S1A 36(2) . . ?
F2A F2B S1A 86.6(10) . . ?
C1B F2B S1A 18.9(19) . . ?
C1B F2B F2A 105(2) . . ?
C1B F3B S1A 38(2) . . ?
S1B O1B S1A 41.9(10) . . ?
C1A O2B S1B 45(3) . . ?
F1A O3B S1A 120(4) . . ?
F1A O3B C1A 65(3) . . ?
F1A O3B S1B 94(5) . . ?
C1A O3B S1A 56.5(12) . . ?
C1A O3B S1B 41.8(16) . . ?
S1B O3B S1A 30.2(10) . . ?
S1A C1B O2A 81(2) . . ?
S1A C1B S1B 29.7(14) . . ?
S1A C1B F1B 91(3) . . ?
S1A C1B F2B 135(4) . . ?
S1A C1B F3B 83(2) . . ?
O2A C1B S1B 87(3) . . ?
O2A C1B F1B 15.8(19) . . ?
O2A C1B F2B 114(3) . . ?
O2A C1B F3B 125(2) . . ?
F1B C1B S1B 102(3) . . ?
F1B C1B F2B 115(3) . . ?
F1B C1B F3B 116(2) . . ?
F2B C1B S1B 105(2) . . ?
F3B C1B S1B 103(3) . . ?
F3B C1B F2B 114(2) . . ?

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
F3 C1 C2 C3 177.47(14) . . . . ?
F3 C1 C6 N2 2.7(2) . . . . ?
F3 C1 C6 C5 -179.43(14) . . . . ?
N1 C11 C12 C8 -0.4(3) . . . . ?
N2 C7 C8 C9 156.49(15) . . . . ?
N2 C7 C8 C12 -23.1(2) . . . . ?
C1 C2 C3 C4 1.2(2) . . . . ?
C2 C1 C6 N2 179.35(15) . . . . ?
C2 C1 C6 C5 -2.8(2) . . . . ?
C2 C3 C4 C5 -1.3(2) . . . . ?
C3 C4 C5 C6 -0.8(2) . . . . ?
C4 C5 C6 N2 -179.57(15) . . . . ?
C4 C5 C6 C1 2.7(2) . . . . ?
C6 N2 C7 C8 -177.28(13) . . . . ?
C6 C1 C2 C3 0.8(2) . . . . ?
C7 N2 C6 C1 -152.67(15) . . . . ?
C7 N2 C6 C5 29.6(2) . . . . ?
C7 C8 C9 C10 -178.80(15) . . . . ?
C7 C8 C12 C11 179.03(15) . . . . ?
C8 C9 C10 N1 -0.1(2) . . . . ?
C9 C8 C12 C11 -0.6(2) . . . . ?
C10 N1 C11 C12 1.2(2) . . . . ?
C11 N1 C10 C9 -0.9(2) . . . . ?
C12 C8 C9 C10 0.8(2) . . . . ?
Ag1A N1 C10 C9 175.01(12) . . . . ?
Ag1A N1 C11 C12 -174.64(12) . . . . ?
Ag1B N1 C10 C9 154.5(2) . . . . ?
Ag1B N1 C11 C12 -156.9(2) . . . . ?
S1A O1A S1B F1A 121(3) . . . . ?
S1A O1A S1B O1B -163(10) . . . . ?
S1A O1A S1B O2B -108(4) . . . . ?
S1A O1A S1B O3B 100(3) . . . . ?
S1A O1A S1B C1B -1.8(10) . . . . ?
S1A O2A C1B S1B 29.2(13) . . . . ?
S1A O2A C1B F1B -131(8) . . . . ?
S1A O2A C1B F2B 135(4) . . . . ?
S1A O2A C1B F3B -75(3) . . . . ?
S1A C1A S1B F1A -125(3) . . . . ?
S1A C1A S1B O1B 163(30) . . . . ?
S1A C1A S1B O2B 112(5) . . . . ?
S1A C1A S1B O3B -102(4) . . . . ?
S1A C1A S1B C1B 2.3(18) . . . . ?
S1A C1A O2B S1B -33.1(14) . . . . ?
S1A C1A O3B F1A 165(3) . . . . ?
S1A C1A O3B S1B 35.5(10) . . . . ?
S1A S1B O2B C1A 97(3) . . . . ?
S1A S1B O3B F1A -150(3) . . . . ?
S1A S1B O3B C1A -105.9(15) . . . . ?
S1A S1B C1B O2A -76(2) . . . . ?
S1A S1B C1B F1B -71(3) . . . . ?
S1A S1B C1B F2B 169(3) . . . . ?
S1A S1B C1B F3B 49(3) . . . . ?
S1A F1B C1B O2A 49(8) . . . . ?
S1A F1B C1B S1B 28.0(14) . . . . ?
S1A F1B C1B F2B 141(4) . . . . ?
S1A F1B C1B F3B -83(3) . . . . ?
S1A F2B C1B O2A -102(5) . . . . ?
S1A F2B C1B S1B -8(2) . . . . ?
S1A F2B C1B F1B -119(6) . . . . ?
S1A F2B C1B F3B 105(5) . . . . ?
S1A F3B C1B O2A 74(3) . . . . ?
S1A F3B C1B S1B -22.3(13) . . . . ?
S1A F3B C1B F1B 88(3) . . . . ?
S1A F3B C1B F2B -136(4) . . . . ?
F1A C1A S1B S1A 125(3) . . . . ?
F1A C1A S1B S1A -127(3) 7_575 . . . ?
F1A C1A S1B F1A 107.8(2) 7_575 . . . ?
F1A C1A S1B O1B 35(27) 7_575 . . . ?
F1A C1A S1B O1B -72(27) . . . . ?
F1A C1A S1B O2B -15(3) 7_575 . . . ?
F1A C1A S1B O2B -123(3) . . . . ?
F1A C1A S1B O3B 23(2) . . . . ?
F1A C1A S1B O3B 131(2) 7_575 . . . ?
F1A C1A S1B C1B 127.4(19) . . . . ?
F1A C1A S1B C1B -124.8(19) 7_575 . . . ?
F1A C1A O2B S1B 128(8) 7_575 . . . ?
F1A C1A O2B S1B 85.3(16) . . . . ?
F1A C1A O3B S1A -165(3) . . . . ?
F1A C1A O3B S1A -111.2(13) 7_575 . . . ?
F1A C1A O3B F1A 54(4) 7_575 . . . ?
F1A C1A O3B S1B -130(4) . . . . ?
F1A C1A O3B S1B -75.7(18) 7_575 . . . ?
F1A S1B O1B S1A 133(5) . . . . ?
F1A S1B O2B C1A -40.0(13) . . . . ?
F1A S1B O3B S1A 150(3) . . . . ?
F1A S1B O3B C1A 44(3) . . . . ?
F1A S1B C1B S1A -132(3) . . . . ?
F1A S1B C1B O2A 151.2(18) . . . . ?
F1A S1B C1B F1B 157(2) . . . . ?
F1A S1B C1B F2B 37(3) . . . . ?
F1A S1B C1B F3B -83(2) . . . . ?
F2A C1A S1B S1A -2(7) . . . . ?
F2A C1A S1B F1A -127(4) . . . . ?
F2A C1A S1B O1B 160(24) . . . . ?
F2A C1A S1B O2B 110(3) . . . . ?
F2A C1A S1B O3B -104(3) . . . . ?
F2A C1A S1B C1B 0(5) . . . . ?
F2A C1A O2B S1B -147.0(12) . . . . ?
F2A C1A O3B S1A 109.5(7) . . . . ?
F2A C1A O3B F1A -85(3) . . . . ?
F2A C1A O3B S1B 145.1(11) . . . . ?
F2A F2B C1B S1A 15(5) . . . . ?
F2A F2B C1B O2A -86(4) . . . . ?
F2A F2B C1B S1B 8(3) . . . . ?
F2A F2B C1B F1B -104(4) . . . . ?
F2A F2B C1B F3B 120(4) . . . . ?
O1A S1A O2A C1B 163(2) . . . . ?
O1A S1A C1A F1A -60.32(15) . . . . ?
O1A S1A C1A F1A 60.32(15) . . . 7_575 ?
O1A S1A C1A F2A 180.000(1) . . . . ?
O1A S1A C1A S1B 1(4) . . . . ?
O1A S1A C1A O2B 67(3) . . . . ?
O1A S1A C1A O3B -68.4(18) . . . . ?
O1A S1A S1B F1A -123(3) . . . . ?
O1A S1A S1B C1A -179(4) . . . . ?
O1A S1A S1B O1B 5(3) . . . . ?
O1A S1A S1B O2B 120(4) . . . . ?
O1A S1A S1B O3B -107(2) . . . . ?
O1A S1A S1B C1B 176(2) . . . . ?
O1A S1A F1B C1B 165(2) . . . . ?
O1A S1A F3B C1B -164(2) . . . . ?
O1A S1A O1B S1B -160(12) . . . . ?
O1A S1A C1B O2A -66(7) . . . . ?
O1A S1A C1B S1B -166(8) . . . . ?
O1A S1A C1B F1B -54(8) . . . . ?
O1A S1A C1B F2B 179(6) . . . . ?
O1A S1A C1B F3B 62(8) . . . . ?
O1A S1B O1B S1A 15(9) . . . . ?
O1A S1B O2B C1A 175(2) . . . . ?
O1A S1B O3B S1A -68.3(19) . . . . ?
O1A S1B O3B F1A 141(3) . . . . ?
O1A S1B O3B C1A -174.2(14) . . . . ?
O1A S1B C1B S1A 4(2) . . . . ?
O1A S1B C1B O2A -72.6(19) . . . . ?
O1A S1B C1B F1B -67(3) . . . . ?
O1A S1B C1B F2B 173(2) . . . . ?
O1A S1B C1B F3B 53(3) . . . . ?
O2A S1A O1A S1B -112(2) 7_575 . . . ?
O2A S1A O1A S1B 111(2) . . . . ?
O2A S1A O2A C1B 26(2) 7_575 . . . ?
O2A S1A C1A F1A 179.56(18) . . . . ?
O2A S1A C1A F1A -59.8(2) . . . 7_575 ?
O2A S1A C1A F1A -179.56(18) 7_575 . . 7_575 ?
O2A S1A C1A F1A 59.8(2) 7_575 . . . ?
O2A S1A C1A F2A 59.88(12) . . . . ?
O2A S1A C1A F2A -59.88(12) 7_575 . . . ?
O2A S1A C1A S1B -119(4) . . . . ?
O2A S1A C1A S1B 121(4) 7_575 . . . ?
O2A S1A C1A O2B -53(3) . . . . ?
O2A S1A C1A O2B -173(3) 7_575 . . . ?
O2A S1A C1A O3B 171.5(18) . . . . ?
O2A S1A C1A O3B 51.7(18) 7_575 . . . ?
O2A S1A S1B F1A -14(3) 7_575 . . . ?
O2A S1A S1B F1A 127(2) . . . . ?
O2A S1A S1B O1A 108.9(5) 7_575 . . . ?
O2A S1A S1B O1A -109.2(5) . . . . ?
O2A S1A S1B C1A 72(4) . . . . ?
O2A S1A S1B C1A -70(4) 7_575 . . . ?
O2A S1A S1B O1B 114(3) 7_575 . . . ?
O2A S1A S1B O1B -104(3) . . . . ?
O2A S1A S1B O2B -132(3) 7_575 . . . ?
O2A S1A S1B O2B 10(3) . . . . ?
O2A S1A S1B O3B 2(2) 7_575 . . . ?
O2A S1A S1B O3B 144(2) . . . . ?
O2A S1A S1B C1B 67(2) . . . . ?
O2A S1A S1B C1B -75(2) 7_575 . . . ?
O2A S1A F1B C1B -108(11) . . . . ?
O2A S1A F1B C1B 35(3) 7_575 . . . ?
O2A S1A F3B C1B -42(2) . . . . ?
O2A S1A F3B C1B 95(4) 7_575 . . . ?
O2A S1A O1B S1B -104(3) 7_575 . . . ?
O2A S1A O1B S1B 107(3) . . . . ?
O2A S1A C1B O2A -153.4(19) 7_575 . . . ?
O2A S1A C1B S1B -101(3) . . . . ?
O2A S1A C1B S1B 106(2) 7_575 . . . ?
O2A S1A C1B F1B -142(3) 7_575 . . . ?
O2A S1A C1B F1B 12(2) . . . . ?
O2A S1A C1B F2B -115(4) . . . . ?
O2A S1A C1B F2B 91(4) 7_575 . . . ?
O2A S1A C1B F3B -25.8(15) 7_575 . . . ?
O2A S1A C1B F3B 128(2) . . . . ?
C1A S1A O1A S1B -1(2) . . . . ?
C1A S1A O2A C1B -85(2) . . . . ?
C1A S1A S1B F1A 55.2(15) . . . . ?
C1A S1A S1B O1A 179(4) . . . . ?
C1A S1A S1B O1B -176(6) . . . . ?
C1A S1A S1B O2B -62(3) . . . . ?
C1A S1A S1B O3B 72(3) . . . . ?
C1A S1A S1B C1B -6(4) . . . . ?
C1A S1A F1B C1B -77(2) . . . . ?
C1A S1A F3B C1B 70(2) . . . . ?
C1A S1A O1B S1B 2(3) . . . . ?
C1A S1A C1B O2A 103.5(11) . . . . ?
C1A S1A C1B S1B 3(2) . . . . ?
C1A S1A C1B F1B 115(2) . . . . ?
C1A S1A C1B F2B -12(4) . . . . ?
C1A S1A C1B F3B -128.9(17) . . . . ?
C1A F1A S1B S1A -85.3(16) . . . . ?
C1A F1A S1B O1A -173(3) . . . . ?
C1A F1A S1B O1B 166(5) . . . . ?
C1A F1A S1B O2B 44(2) . . . . ?
C1A F1A S1B O3B -123(4) . . . . ?
C1A F1A S1B C1B -61.5(13) . . . . ?
C1A F1A O3B S1A 14(3) . . . . ?
C1A F1A O3B S1B 30.9(16) . . . . ?
C1A F2A F2B S1A -2.4(17) . . . . ?
C1A F2A F2B C1B -7(3) . . . . ?
C1A S1B O1B S1A -164(28) . . . . ?
C1A S1B O3B S1A 105.9(15) . . . . ?
C1A S1B O3B F1A -44(3) . . . . ?
C1A S1B C1B S1A -175(4) . . . . ?
C1A S1B C1B O2A 109(2) . . . . ?
C1A S1B C1B F1B 114(3) . . . . ?
C1A S1B C1B F2B -6(4) . . . . ?
C1A S1B C1B F3B -125(3) . . . . ?
S1B S1A O2A C1B -117(2) . . . . ?
S1B S1A C1A F1A 59(4) . . . 7_575 ?
S1B S1A C1A F1A -62(4) . . . . ?
S1B S1A C1A F2A 179(4) . . . . ?
S1B S1A C1A O2B 66(6) . . . . ?
S1B S1A C1A O3B -70(5) . . . . ?
S1B S1A F1B C1B -110(3) . . . . ?
S1B S1A F3B C1B 109(3) . . . . ?
S1B S1A C1B O2A 101(3) . . . . ?
S1B S1A C1B F1B 112(3) . . . . ?
S1B S1A C1B F2B -15(4) . . . . ?
S1B S1A C1B F3B -132(3) . . . . ?
S1B F1A C1A S1A 31.1(14) . . . . ?
S1B F1A C1A F1A -91.7(14) . . . 7_575 ?
S1B F1A C1A F2A 153.1(15) . . . . ?
S1B F1A C1A O2B -78(3) . . . . ?
S1B F1A C1A O3B 47(4) . . . . ?
S1B F1A O3B S1A -16.7(17) . . . . ?
S1B F1A O3B C1A -30.9(16) . . . . ?
S1B C1A O3B S1A -35.5(10) . . . . ?
S1B C1A O3B F1A 130(4) . . . . ?
F1B S1A O1A S1B 122(3) . . . . ?
F1B S1A O2A C1B 65(10) . . . . ?
F1B S1A C1A F1A 174.0(18) . . . . ?
F1B S1A C1A F1A -65.3(18) . . . 7_575 ?
F1B S1A C1A F2A 54.4(18) . . . . ?
F1B S1A C1A S1B -124(4) . . . . ?
F1B S1A C1A O2B -58(3) . . . . ?
F1B S1A C1A O3B 166(2) . . . . ?
F1B S1A S1B F1A 128(3) . . . . ?
F1B S1A S1B O1A -109(2) . . . . ?
F1B S1A S1B C1A 73(4) . . . . ?
F1B S1A S1B O1B -104(4) . . . . ?
F1B S1A S1B O2B 11(4) . . . . ?
F1B S1A S1B O3B 144(3) . . . . ?
F1B S1A S1B C1B 67(2) . . . . ?
F1B S1A F3B C1B -46(2) . . . . ?
F1B S1A O1B S1B 118(4) . . . . ?
F1B S1A C1B O2A -12(2) . . . . ?
F1B S1A C1B S1B -112(3) . . . . ?
F1B S1A C1B F2B -127(4) . . . . ?
F1B S1A C1B F3B 116(3) . . . . ?
F2B S1A O2A C1B -25(2) . . . . ?
F2B S1A C1A F1A -122.2(18) . . . 7_575 ?
F2B S1A C1A F1A 117.2(18) . . . . ?
F2B S1A C1A F2A -2.5(18) . . . . ?
F2B S1A C1A S1B 179(4) . . . . ?
F2B S1A C1A O2B -115(3) . . . . ?
F2B S1A C1A O3B 109(2) . . . . ?
F2B S1A S1B F1A 54(3) . . . . ?
F2B S1A S1B O1A 177.6(18) . . . . ?
F2B S1A S1B C1A -1(4) . . . . ?
F2B S1A S1B O1B -178(4) . . . . ?
F2B S1A S1B O2B -63(4) . . . . ?
F2B S1A S1B O3B 70(2) . . . . ?
F2B S1A S1B C1B -7(2) . . . . ?
F2B S1A F1B C1B -22(2) . . . . ?
F2B S1A F3B C1B 24.6(19) . . . . ?
F2B S1A O1B S1B 6(10) . . . . ?
F2B S1A C1B O2A 115(4) . . . . ?
F2B S1A C1B S1B 15(4) . . . . ?
F2B S1A C1B F1B 127(4) . . . . ?
F2B S1A C1B F3B -117(4) . . . . ?
F2B F2A C1A S1A 3(2) . . . . ?
F2B F2A C1A F1A 125(2) . . . 7_575 ?
F2B F2A C1A F1A -119(2) . . . . ?
F2B F2A C1A S1B 4(5) . . . . ?
F2B F2A C1A O2B 105(3) . . . . ?
F2B F2A C1A O3B -87(3) . . . . ?
F3B S1A O1A S1B -137(3) . . . . ?
F3B S1A O2A C1B 43(2) . . . . ?
F3B S1A C1A F1A 69.4(17) . . . . ?
F3B S1A C1A F1A -170.0(17) . . . 7_575 ?
F3B S1A C1A F2A -50.3(17) . . . . ?
F3B S1A C1A S1B 131(4) . . . . ?
F3B S1A C1A O2B -163(3) . . . . ?
F3B S1A C1A O3B 61(2) . . . . ?
F3B S1A S1B F1A -21(4) . . . . ?
F3B S1A S1B O1A 102(2) . . . . ?
F3B S1A S1B C1A -76(4) . . . . ?
F3B S1A S1B O1B 107(4) . . . . ?
F3B S1A S1B O2B -138(4) . . . . ?
F3B S1A S1B O3B -5(3) . . . . ?
F3B S1A S1B C1B -82(3) . . . . ?
F3B S1A F1B C1B 50(2) . . . . ?
F3B S1A O1B S1B -132(3) . . . . ?
F3B S1A C1B O2A -128(2) . . . . ?
F3B S1A C1B S1B 132(3) . . . . ?
F3B S1A C1B F1B -116(3) . . . . ?
F3B S1A C1B F2B 117(4) . . . . ?
O1B S1A O1A S1B 18(11) . . . . ?
O1B S1A O2A C1B 178(2) . . . . ?
O1B S1A C1A F1A -65(2) . . . . ?
O1B S1A C1A F1A 56(2) . . . 7_575 ?
O1B S1A C1A F2A 176(2) . . . . ?
O1B S1A C1A S1B -3(5) . . . . ?
O1B S1A C1A O2B 63(2) . . . . ?
O1B S1A C1A O3B -73(2) . . . . ?
O1B S1A S1B F1A -128(5) . . . . ?
O1B S1A S1B O1A -5(3) . . . . ?
O1B S1A S1B C1A 176(6) . . . . ?
O1B S1A S1B O2B 115(5) . . . . ?
O1B S1A S1B O3B -112(4) . . . . ?
O1B S1A S1B C1B 171(4) . . . . ?
O1B S1A F1B C1B 180(3) . . . . ?
O1B S1A F3B C1B -171(3) . . . . ?
O1B S1B O2B C1A -170(3) . . . . ?
O1B S1B O3B S1A -87(3) . . . . ?
O1B S1B O3B F1A 123(3) . . . . ?
O1B S1B O3B C1A 167(3) . . . . ?
O1B S1B C1B S1A 9(4) . . . . ?
O1B S1B C1B O2A -67(4) . . . . ?
O1B S1B C1B F1B -62(5) . . . . ?
O1B S1B C1B F2B 178(4) . . . . ?
O1B S1B C1B F3B 59(5) . . . . ?
O2B C1A S1B S1A -112(5) . . . . ?
O2B C1A S1B F1A 123(3) . . . . ?
O2B C1A S1B O1B 51(26) . . . . ?
O2B C1A S1B O3B 146(3) . . . . ?
O2B C1A S1B C1B -109(4) . . . . ?
O2B C1A O3B S1A -86(3) . . . . ?
O2B C1A O3B F1A 79(4) . . . . ?
O2B C1A O3B S1B -51(3) . . . . ?
O2B S1B O1B S1A -118(5) . . . . ?
O2B S1B O3B S1A 136(3) . . . . ?
O2B S1B O3B F1A -14(4) . . . . ?
O2B S1B O3B C1A 30(3) . . . . ?
O2B S1B C1B S1A 132(4) . . . . ?
O2B S1B C1B O2A 55(3) . . . . ?
O2B S1B C1B F1B 61(3) . . . . ?
O2B S1B C1B F2B -59(4) . . . . ?
O2B S1B C1B F3B -179(3) . . . . ?
O3B S1A O1A S1B -39(3) . . . . ?
O3B S1A O2A C1B -75(3) . . . . ?
O3B S1A C1A F1A 8.1(18) . . . . ?
O3B S1A C1A F1A 128.7(18) . . . 7_575 ?
O3B S1A C1A F2A -111.6(18) . . . . ?
O3B S1A C1A S1B 70(5) . . . . ?
O3B S1A C1A O2B 136(3) . . . . ?
O3B S1A S1B F1A -16(2) . . . . ?
O3B S1A S1B O1A 107(2) . . . . ?
O3B S1A S1B C1A -72(3) . . . . ?
O3B S1A S1B O1B 112(4) . . . . ?
O3B S1A S1B O2B -133(3) . . . . ?
O3B S1A S1B C1B -77(3) . . . . ?
O3B S1A F1B C1B -57(4) . . . . ?
O3B S1A F3B C1B 106(2) . . . . ?
O3B S1A O1B S1B -38(4) . . . . ?
O3B S1A C1B O2A 143.1(16) . . . . ?
O3B S1A C1B S1B 43(3) . . . . ?
O3B S1A C1B F1B 155(2) . . . . ?
O3B S1A C1B F2B 28(4) . . . . ?
O3B S1A C1B F3B -89(2) . . . . ?
O3B F1A C1A S1A -16(3) . . . . ?
O3B F1A C1A F1A -139(3) . . . 7_575 ?
O3B F1A C1A F2A 106(3) . . . . ?
O3B F1A C1A S1B -47(4) . . . . ?
O3B F1A C1A O2B -125(4) . . . . ?
O3B F1A S1B S1A 38(5) . . . . ?
O3B F1A S1B O1A -50(4) . . . . ?
O3B F1A S1B C1A 123(4) . . . . ?
O3B F1A S1B O1B -71(5) . . . . ?
O3B F1A S1B O2B 167(4) . . . . ?
O3B F1A S1B C1B 62(4) . . . . ?
O3B C1A S1B S1A 102(4) . . . . ?
O3B C1A S1B F1A -23(2) . . . . ?
O3B C1A S1B O1B -96(26) . . . . ?
O3B C1A S1B O2B -146(3) . . . . ?
O3B C1A S1B C1B 104(3) . . . . ?
O3B C1A O2B S1B 49(3) . . . . ?
O3B S1B O1B S1A 106(4) . . . . ?
O3B S1B O2B C1A -34(3) . . . . ?
O3B S1B C1B S1A -109(4) . . . . ?
O3B S1B C1B O2A 174(2) . . . . ?
O3B S1B C1B F1B 180(3) . . . . ?
O3B S1B C1B F2B 60(3) . . . . ?
O3B S1B C1B F3B -60(3) . . . . ?
C1B S1A O1A S1B 168(7) . . . . ?
C1B S1A C1A F1A 123(2) . . . . ?
C1B S1A C1A F1A -116(2) . . . 7_575 ?
C1B S1A C1A F2A 3(2) . . . . ?
C1B S1A C1A S1B -175(4) . . . . ?
C1B S1A C1A O2B -110(3) . . . . ?
C1B S1A C1A O3B 115(3) . . . . ?
C1B S1A S1B F1A 61(3) . . . . ?
C1B S1A S1B O1A -176(2) . . . . ?
C1B S1A S1B C1A 6(4) . . . . ?
C1B S1A S1B O1B -171(4) . . . . ?
C1B S1A S1B O2B -56(4) . . . . ?
C1B S1A S1B O3B 77(3) . . . . ?
C1B S1B O1B S1A -3.9(17) . . . . ?
C1B S1B O2B C1A 76(2) . . . . ?
C1B S1B O3B S1A 24.6(8) . . . . ?
C1B S1B O3B F1A -126(3) . . . . ?
C1B S1B O3B C1A -81.3(14) . . . . ?

####################################################################### 
# 
# 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_Complex_12
_database_code_depnum_ccdc_archive 'CCDC 2062331'
loop_
_audit_author_name
_audit_author_address
'Sizwe Zamisa'
;University of KwaZulu Natal
South Africa
;
_audit_update_record             
;
2021-02-09 deposited with the CCDC.	2021-08-06 downloaded from the CCDC.
;
_audit_creation_date             2019-08-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H48 Ag2 F6 N8 O6 S2'
_chemical_formula_sum            'C54 H52 Ag2 F6 N8 O6 S2'
_chemical_formula_weight         1302.89
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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                   8.9646(10)
_cell_length_b                   10.5726(11)
_cell_length_c                   14.9137(16)
_cell_angle_alpha                94.308(5)
_cell_angle_beta                 92.163(5)
_cell_angle_gamma                108.886(4)
_cell_volume                     1330.7(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.88
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6894
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1550 before and 0.0361 after correction.
The Ratio of minimum to maximum transmission is 0.9244.
The λ/2 correction factor is 0.0015.
;

_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25477
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.931
_diffrn_reflns_theta_min         1.372
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.968
_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                6046
_reflns_number_total             6819
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         6819
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0287
_refine_ls_restrained_S_all      0.968
_refine_ls_shift/su_max          5.810
_refine_ls_shift/su_mean         0.046
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0325P)²+1.6300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0709
_refine_special_details          ?

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.37660(2) 0.46015(2) 0.41054(2) 0.01717(5) Uani 1 1 d . . . . .
S1 S 0.74066(6) 0.33673(5) 0.39752(3) 0.01620(10) Uani 1 1 d . . . . .
F1 F 0.84314(18) 0.36567(15) 0.23590(8) 0.0299(3) Uani 1 1 d . . . . .
F2 F 0.95263(18) 0.53652(13) 0.33135(9) 0.0301(3) Uani 1 1 d . . . . .
F3 F 1.01898(16) 0.35920(14) 0.33677(9) 0.0267(3) Uani 1 1 d . . . . .
O1 O 0.62920(19) 0.40388(16) 0.37395(11) 0.0244(3) Uani 1 1 d . . . . .
O2 O 0.81840(19) 0.37863(16) 0.48623(10) 0.0236(3) Uani 1 1 d . . . . .
O3 O 0.6867(2) 0.19464(15) 0.37252(12) 0.0295(4) Uani 1 1 d . . . . .
N1 N 0.4413(2) 0.62821(16) 0.32957(11) 0.0158(3) Uani 1 1 d . . . . .
N2 N 0.2683(2) 0.29222(16) 0.48565(11) 0.0138(3) Uani 1 1 d . . . . .
N3 N -0.0898(2) -0.02146(16) 0.68371(11) 0.0153(3) Uani 1 1 d . . . . .
N4 N 0.6659(2) 0.95172(16) 0.10070(11) 0.0177(4) Uani 1 1 d . . . . .
C2 C 0.5570(3) 0.6416(2) 0.27318(14) 0.0185(4) Uani 1 1 d . . . . .
H2 H 0.611254 0.579953 0.272351 0.022 Uiso 1 1 calc R . . . .
C3 C 0.5994(3) 0.7424(2) 0.21634(14) 0.0186(4) Uani 1 1 d . . . . .
H3 H 0.680607 0.748151 0.178198 0.022 Uiso 1 1 calc R . . . .
C4 C 0.5193(3) 0.8359(2) 0.21650(13) 0.0164(4) Uani 1 1 d . . . . .
C5 C 0.4008(3) 0.8234(2) 0.27594(14) 0.0196(4) Uani 1 1 d . . . . .
H5 H 0.346161 0.884769 0.278873 0.024 Uiso 1 1 calc R . . . .
C6 C 0.3646(3) 0.7188(2) 0.33085(14) 0.0186(4) Uani 1 1 d . . . . .
H6 H 0.284398 0.710937 0.370016 0.022 Uiso 1 1 calc R . . . .
C7 C 0.5586(3) 0.9440(2) 0.15600(14) 0.0195(4) Uani 1 1 d . . . . .
H7 H 0.505469 1.006413 0.158004 0.023 Uiso 1 1 calc R . . . .
C9 C 0.7111(3) 1.05813(19) 0.04447(13) 0.0168(4) Uani 1 1 d . . . . .
C10 C 0.6827(3) 1.1796(2) 0.05942(15) 0.0207(4) Uani 1 1 d . . . . .
H10 H 0.622494 1.192434 0.106513 0.025 Uiso 1 1 calc R . . . .
C11 C 0.7436(3) 1.2811(2) 0.00462(15) 0.0234(5) Uani 1 1 d . . . . .
H11 H 0.723325 1.361540 0.015500 0.028 Uiso 1 1 calc R . . . .
C12 C 0.9060(4) 1.3804(2) -0.12301(16) 0.0357(6) Uani 1 1 d . . . . .
H12A H 0.823971 1.409020 -0.148875 0.054 Uiso 1 1 calc GR . . . .
H12B H 0.960226 1.350895 -0.170294 0.054 Uiso 1 1 calc GR . . . .
H12C H 0.979540 1.454016 -0.085910 0.054 Uiso 1 1 calc GR . . . .
C13 C 0.8602(3) 1.1440(2) -0.08167(15) 0.0291(5) Uani 1 1 d . . . . .
H13 H 0.918602 1.130682 -0.129567 0.035 Uiso 1 1 calc R . . . .
C14 C 0.8005(3) 1.0412(2) -0.02676(15) 0.0249(5) Uani 1 1 d . . . . .
H14 H 0.820375 0.960624 -0.037729 0.030 Uiso 1 1 calc R . . . .
C15 C 0.8977(3) 0.4033(2) 0.32186(13) 0.0169(4) Uani 1 1 d . . . . .
C16 C 0.1316(2) 0.28881(19) 0.52230(13) 0.0150(4) Uani 1 1 d . . . . .
H16 H 0.089184 0.356290 0.511941 0.018 Uiso 1 1 calc R . . . .
C17 C 0.0526(2) 0.18896(19) 0.57449(13) 0.0153(4) Uani 1 1 d . . . . .
H17 H -0.042052 0.188732 0.598045 0.018 Uiso 1 1 calc R . . . .
C18 C 0.1160(2) 0.08876(19) 0.59148(13) 0.0134(4) Uani 1 1 d . . . . .
C19 C 0.2557(2) 0.09019(19) 0.55210(13) 0.0142(4) Uani 1 1 d . . . . .
H19 H 0.299409 0.023014 0.560698 0.017 Uiso 1 1 calc R . . . .
C20 C 0.3275(2) 0.19322(19) 0.50018(13) 0.0149(4) Uani 1 1 d . . . . .
H20 H 0.420487 0.194111 0.474243 0.018 Uiso 1 1 calc R . . . .
C21 C 0.0399(2) -0.01718(18) 0.64933(13) 0.0141(4) Uani 1 1 d . . . . .
H21 H 0.086517 -0.081584 0.660994 0.017 Uiso 1 1 calc R . . . .
C22 C -0.1520(2) -0.12017(18) 0.74424(13) 0.0143(4) Uani 1 1 d . . . . .
C23 C -0.0557(3) -0.1537(2) 0.80744(14) 0.0174(4) Uani 1 1 d . . . . .
H23 H 0.053490 -0.114166 0.808871 0.021 Uiso 1 1 calc R . . . .
C24 C -0.1224(3) -0.2456(2) 0.86802(14) 0.0203(4) Uani 1 1 d . . . . .
H24 H -0.057284 -0.267336 0.909913 0.024 Uiso 1 1 calc R . . . .
C25 C -0.2853(3) -0.3059(2) 0.86723(14) 0.0203(4) Uani 1 1 d . . . . .
C26 C -0.3155(3) -0.1806(2) 0.74215(13) 0.0171(4) Uani 1 1 d . . . . .
H26 H -0.380460 -0.158067 0.700586 0.020 Uiso 1 1 calc R . . . .
C27 C -0.3582(3) -0.3976(2) 0.93764(17) 0.0317(6) Uani 1 1 d . . . . .
H27A H -0.294619 -0.452748 0.949892 0.048 Uiso 1 1 calc GR . . . .
H27B H -0.462688 -0.453645 0.916041 0.048 Uiso 1 1 calc GR . . . .
H27C H -0.363787 -0.344881 0.991916 0.048 Uiso 1 1 calc GR . . . .
C35 C 0.8344(3) 1.2663(2) -0.06641(14) 0.0238(5) Uani 1 1 d . . . . .
C49 C -0.3810(3) -0.2743(2) 0.80215(14) 0.0195(4) Uani 1 1 d . . . . .
H49 H -0.489855 -0.316633 0.799141 0.023 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 Ag1 3.2763(5) 2_666 ?
Ag1 O1 2.5877(16) . ?
Ag1 N1 2.1586(16) . ?
Ag1 N2 2.1483(16) . ?
S1 O1 1.4478(16) . ?
S1 O2 1.4404(17) . ?
S1 O3 1.4359(16) . ?
S1 C15 1.830(2) . ?
F1 C15 1.338(2) . ?
F2 C15 1.327(2) . ?
F3 C15 1.332(2) . ?
N1 C2 1.339(3) . ?
N1 C6 1.347(3) . ?
N2 C16 1.352(3) . ?
N2 C20 1.345(2) . ?
N3 C21 1.278(3) . ?
N3 C22 1.420(2) . ?
N4 C7 1.277(3) . ?
N4 C9 1.416(2) . ?
C2 C3 1.377(3) . ?
C3 C4 1.397(3) . ?
C4 C5 1.389(3) . ?
C4 C7 1.470(3) . ?
C5 C6 1.387(3) . ?
C9 C10 1.392(3) . ?
C9 C14 1.389(3) . ?
C10 C11 1.379(3) . ?
C11 C35 1.390(3) . ?
C12 C35 1.507(3) . ?
C13 C14 1.388(3) . ?
C13 C35 1.390(3) . ?
C16 C17 1.379(3) . ?
C17 C18 1.389(3) . ?
C18 C19 1.399(3) . ?
C18 C21 1.469(2) . ?
C19 C20 1.382(3) . ?
C22 C23 1.395(3) . ?
C22 C26 1.395(3) . ?
C23 C24 1.384(3) . ?
C24 C25 1.391(3) . ?
C25 C27 1.505(3) . ?
C25 C49 1.401(3) . ?
C26 C49 1.387(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ag1 Ag1 70.48(4) . 2_666 ?
N1 Ag1 Ag1 107.36(5) . 2_666 ?
N1 Ag1 O1 91.46(6) . . ?
N2 Ag1 Ag1 80.43(5) . 2_666 ?
N2 Ag1 O1 98.05(6) . . ?
N2 Ag1 N1 169.39(7) . . ?
O1 S1 C15 102.01(10) . . ?
O2 S1 O1 114.46(10) . . ?
O2 S1 C15 103.91(10) . . ?
O3 S1 O1 114.64(11) . . ?
O3 S1 O2 115.56(10) . . ?
O3 S1 C15 103.92(10) . . ?
S1 O1 Ag1 148.17(10) . . ?
C2 N1 Ag1 119.77(14) . . ?
C2 N1 C6 118.00(17) . . ?
C6 N1 Ag1 122.18(13) . . ?
C16 N2 Ag1 116.56(12) . . ?
C20 N2 Ag1 125.17(13) . . ?
C20 N2 C16 118.25(16) . . ?
C21 N3 C22 117.95(17) . . ?
C7 N4 C9 120.99(18) . . ?
N1 C2 C3 122.97(19) . . ?
C2 C3 C4 119.41(19) . . ?
C3 C4 C7 121.40(19) . . ?
C5 C4 C3 117.71(18) . . ?
C5 C4 C7 120.89(19) . . ?
C6 C5 C4 119.46(19) . . ?
N1 C6 C5 122.44(19) . . ?
N4 C7 C4 119.7(2) . . ?
C10 C9 N4 124.96(18) . . ?
C14 C9 N4 116.15(18) . . ?
C14 C9 C10 118.72(18) . . ?
C11 C10 C9 120.2(2) . . ?
C10 C11 C35 121.8(2) . . ?
C14 C13 C35 121.3(2) . . ?
C13 C14 C9 120.4(2) . . ?
F1 C15 S1 110.33(15) . . ?
F2 C15 S1 111.65(14) . . ?
F2 C15 F1 107.38(16) . . ?
F2 C15 F3 107.80(18) . . ?
F3 C15 S1 111.64(14) . . ?
F3 C15 F1 107.85(16) . . ?
N2 C16 C17 122.43(18) . . ?
C16 C17 C18 119.27(19) . . ?
C17 C18 C19 118.49(17) . . ?
C17 C18 C21 121.53(18) . . ?
C19 C18 C21 119.98(18) . . ?
C20 C19 C18 118.83(18) . . ?
N2 C20 C19 122.67(19) . . ?
N3 C21 C18 120.48(18) . . ?
C23 C22 N3 122.20(19) . . ?
C26 C22 N3 118.15(18) . . ?
C26 C22 C23 119.59(18) . . ?
C24 C23 C22 120.1(2) . . ?
C23 C24 C25 121.0(2) . . ?
C24 C25 C27 120.9(2) . . ?
C24 C25 C49 118.61(18) . . ?
C49 C25 C27 120.4(2) . . ?
C49 C26 C22 119.9(2) . . ?
C11 C35 C12 121.1(2) . . ?
C11 C35 C13 117.57(19) . . ?
C13 C35 C12 121.3(2) . . ?
C26 C49 C25 120.8(2) . . ?

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 C2 C3 176.76(17) . . . . ?
Ag1 N1 C6 C5 -176.96(17) . . . . ?
Ag1 N2 C16 C17 -177.87(15) . . . . ?
Ag1 N2 C20 C19 177.39(15) . . . . ?
O1 S1 C15 F1 -63.83(16) . . . . ?
O1 S1 C15 F2 55.50(17) . . . . ?
O1 S1 C15 F3 176.25(14) . . . . ?
O2 S1 O1 Ag1 -58.7(2) . . . . ?
O2 S1 C15 F1 176.91(14) . . . . ?
O2 S1 C15 F2 -63.76(17) . . . . ?
O2 S1 C15 F3 56.99(16) . . . . ?
O3 S1 O1 Ag1 78.2(2) . . . . ?
O3 S1 C15 F1 55.63(17) . . . . ?
O3 S1 C15 F2 174.96(16) . . . . ?
O3 S1 C15 F3 -64.29(17) . . . . ?
N1 C2 C3 C4 0.0(3) . . . . ?
N2 C16 C17 C18 0.9(3) . . . . ?
N3 C22 C23 C24 176.72(18) . . . . ?
N3 C22 C26 C49 -177.93(18) . . . . ?
N4 C9 C10 C11 174.5(2) . . . . ?
N4 C9 C14 C13 -175.3(2) . . . . ?
C2 N1 C6 C5 0.4(3) . . . . ?
C2 C3 C4 C5 1.0(3) . . . . ?
C2 C3 C4 C7 -179.0(2) . . . . ?
C3 C4 C5 C6 -1.2(3) . . . . ?
C3 C4 C7 N4 1.4(3) . . . . ?
C4 C5 C6 N1 0.6(3) . . . . ?
C5 C4 C7 N4 -178.6(2) . . . . ?
C6 N1 C2 C3 -0.7(3) . . . . ?
C7 N4 C9 C10 19.3(3) . . . . ?
C7 N4 C9 C14 -165.6(2) . . . . ?
C7 C4 C5 C6 178.7(2) . . . . ?
C9 N4 C7 C4 -177.14(19) . . . . ?
C9 C10 C11 C35 -0.1(4) . . . . ?
C10 C9 C14 C13 0.1(4) . . . . ?
C10 C11 C35 C12 -177.2(2) . . . . ?
C10 C11 C35 C13 1.0(4) . . . . ?
C14 C9 C10 C11 -0.5(3) . . . . ?
C14 C13 C35 C11 -1.4(4) . . . . ?
C14 C13 C35 C12 176.9(2) . . . . ?
C15 S1 O1 Ag1 -170.17(18) . . . . ?
C16 N2 C20 C19 -1.1(3) . . . . ?
C16 C17 C18 C19 -2.3(3) . . . . ?
C16 C17 C18 C21 177.73(18) . . . . ?
C17 C18 C19 C20 1.9(3) . . . . ?
C17 C18 C21 N3 1.8(3) . . . . ?
C18 C19 C20 N2 -0.2(3) . . . . ?
C19 C18 C21 N3 -178.15(19) . . . . ?
C20 N2 C16 C17 0.8(3) . . . . ?
C21 N3 C22 C23 39.4(3) . . . . ?
C21 N3 C22 C26 -143.35(19) . . . . ?
C21 C18 C19 C20 -178.07(18) . . . . ?
C22 N3 C21 C18 -175.53(17) . . . . ?
C22 C23 C24 C25 0.0(3) . . . . ?
C22 C26 C49 C25 2.2(3) . . . . ?
C23 C22 C26 C49 -0.6(3) . . . . ?
C23 C24 C25 C27 -175.2(2) . . . . ?
C23 C24 C25 C49 1.6(3) . . . . ?
C24 C25 C49 C26 -2.7(3) . . . . ?
C26 C22 C23 C24 -0.5(3) . . . . ?
C27 C25 C49 C26 174.2(2) . . . . ?
C35 C13 C14 C9 0.9(4) . . . . ?

####################################################################### 
# 
# 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_Complex_8
_database_code_depnum_ccdc_archive 'CCDC 2062328'
loop_
_audit_author_name
_audit_author_address
'Sizwe Zamisa'
;University of KwaZulu Natal
South Africa
;
_audit_update_record             
;
2021-02-09 deposited with the CCDC.	2021-08-06 downloaded from the CCDC.
;
_audit_creation_date             2020-10-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H50 Ag2 N8, 2(Cl O4)'
_chemical_formula_sum            'C48 H52 Ag2 Cl2 N12 O8'
_chemical_formula_weight         1211.65
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   9.9431(6)
_cell_length_b                   11.0069(7)
_cell_length_c                   11.3978(7)
_cell_angle_alpha                79.670(3)
_cell_angle_beta                 84.395(3)
_cell_angle_gamma                86.477(4)
_cell_volume                     1220.09(13)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8996
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.85
_cell_measurement_theta_min      2.73
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.980
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6822
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1331 before and 0.0408 after correction.
The Ratio of minimum to maximum transmission is 0.9147.
The λ/2 correction factor is 0.0015.
;

_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            24056
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.982
_diffrn_reflns_theta_min         1.823
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.978
_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                5517
_reflns_number_total             6338
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.882
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         6338
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0329
_refine_ls_restrained_S_all      1.019
_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)+(0.0332P)²+1.7142P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0820
_refine_special_details          ?

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.61368(2) 0.88547(2) -0.02226(2) 0.02385(6) Uani 1 1 d . . . . .
Cl1 Cl 0.26811(6) 0.93211(6) -0.19409(5) 0.02258(12) Uani 1 1 d . . . . .
O1 O 0.3913(2) 0.8826(3) -0.1461(2) 0.0635(9) Uani 1 1 d . . . . .
O2 O 0.2087(2) 1.0241(2) -0.1280(2) 0.0469(6) Uani 1 1 d . . . . .
O3 O 0.2984(3) 0.9889(2) -0.31530(18) 0.0476(6) Uani 1 1 d . . . . .
O4 O 0.1755(2) 0.8383(2) -0.1889(3) 0.0585(7) Uani 1 1 d . . . . .
N1 N 0.7222(2) 0.97417(18) -0.18301(18) 0.0200(4) Uani 1 1 d . . . . .
N2 N 1.0650(2) 1.18004(18) -0.49155(17) 0.0186(4) Uani 1 1 d . . . . .
C3 C 1.4341(3) 1.4114(3) -0.8702(2) 0.0286(5) Uani 1 1 d . . . . .
H3A H 1.388069 1.446665 -0.934268 0.034 Uiso 1 1 d R . . . .
H3B H 1.475929 1.479025 -0.834488 0.034 Uiso 1 1 d R . . . .
H3C H 1.505239 1.351405 -0.883038 0.034 Uiso 1 1 d R . . . .
C4 C 0.6645(2) 1.0053(2) -0.2868(2) 0.0210(5) Uani 1 1 d . . . . .
H4 H 0.579152 0.989925 -0.289348 0.025 Uiso 1 1 d R . . . .
N5 N 0.5063(2) 0.78088(18) 0.13170(18) 0.0208(4) Uani 1 1 d . . . . .
N6 N 0.3073(2) 0.58646(18) 0.54251(18) 0.0204(4) Uani 1 1 d . . . . .
H6 H 0.378869 0.628888 0.551743 0.024 Uiso 1 1 d R . . . .
C2 C 0.3799(2) 0.7479(2) 0.1248(2) 0.0222(5) Uani 1 1 d . . . . .
H2 H 0.342847 0.767408 0.051601 0.027 Uiso 1 1 calc R . . . .
C0AA C 0.3030(2) 0.6864(2) 0.2216(2) 0.0211(5) Uani 1 1 d . . . . .
H0AA H 0.215964 0.664681 0.213331 0.025 Uiso 1 1 calc R . . . .
C1AA C 0.3567(2) 0.6568(2) 0.3321(2) 0.0197(4) Uani 1 1 d . . . . .
C5 C 0.2726(2) 0.5952(2) 0.4367(2) 0.0211(5) Uani 1 1 d . . . . .
H5 H 0.192135 0.561871 0.425146 0.025 Uiso 1 1 calc R . . . .
C7 C 0.2280(2) 0.5193(2) 0.6398(2) 0.0191(4) Uani 1 1 d . . . . .
C8 C 0.2356(3) 0.5473(2) 0.7538(2) 0.0236(5) Uani 1 1 d . . . . .
H8 H 0.285928 0.612826 0.763248 0.028 Uiso 1 1 calc R . . . .
C9 C 0.1681(3) 0.4773(2) 0.8524(2) 0.0255(5) Uani 1 1 d . . . . .
H9 H 0.172984 0.497649 0.927543 0.031 Uiso 1 1 calc R . . . .
C10 C 0.0932(3) 0.3773(2) 0.8428(2) 0.0235(5) Uani 1 1 d . . . . .
C11 C 0.0269(3) 0.2960(3) 0.9505(2) 0.0324(6) Uani 1 1 d . . . . .
H11A H 0.093653 0.263033 1.004501 0.049 Uiso 1 1 calc GR . . . .
H11B H -0.014223 0.229356 0.925432 0.049 Uiso 1 1 calc GR . . . .
H11C H -0.041188 0.343754 0.990296 0.049 Uiso 1 1 calc GR . . . .
C12 C 0.0855(3) 0.3516(2) 0.7286(2) 0.0242(5) Uani 1 1 d . . . . .
H12 H 0.035537 0.285792 0.719236 0.029 Uiso 1 1 calc R . . . .
C13 C 0.1505(3) 0.4217(2) 0.6285(2) 0.0232(5) Uani 1 1 d . . . . .
H13 H 0.142313 0.403445 0.552986 0.028 Uiso 1 1 calc R . . . .
C14 C 0.4885(2) 0.6885(2) 0.3392(2) 0.0218(5) Uani 1 1 d . . . . .
H14 H 0.528167 0.668651 0.411218 0.026 Uiso 1 1 calc R . . . .
C15 C 0.5597(2) 0.7498(2) 0.2381(2) 0.0229(5) Uani 1 1 d . . . . .
H15 H 0.647914 0.770516 0.243485 0.027 Uiso 1 1 calc R . . . .
C16 C 0.8536(2) 0.9978(2) -0.1835(2) 0.0231(5) Uani 1 1 d . . . . .
H16 H 0.895138 0.976276 -0.112560 0.028 Uiso 1 1 calc R . . . .
C17 C 0.9288(2) 1.0526(2) -0.2848(2) 0.0208(5) Uani 1 1 d . . . . .
H17 H 1.019461 1.067197 -0.281654 0.025 Uiso 1 1 calc R . . . .
C18 C 0.8685(2) 1.0862(2) -0.3924(2) 0.0181(4) Uani 1 1 d . . . . .
C19 C 0.9478(2) 1.1456(2) -0.5011(2) 0.0190(4) Uani 1 1 d . . . . .
H19 H 0.912668 1.157542 -0.575204 0.023 Uiso 1 1 calc R . . . .
C20 C 1.1490(2) 1.2374(2) -0.5902(2) 0.0176(4) Uani 1 1 d . . . . .
C21 C 1.2867(2) 1.2333(2) -0.5744(2) 0.0209(5) Uani 1 1 d . . . . .
H21 H 1.317177 1.192466 -0.502531 0.025 Uiso 1 1 calc R . . . .
C22 C 1.3786(2) 1.2888(2) -0.6639(2) 0.0226(5) Uani 1 1 d . . . . .
H22 H 1.470199 1.283620 -0.652354 0.027 Uiso 1 1 calc R . . . .
C23 C 1.3345(2) 1.3528(2) -0.7718(2) 0.0218(5) Uani 1 1 d . . . . .
C24 C 1.1968(3) 1.3596(2) -0.7852(2) 0.0255(5) Uani 1 1 d . . . . .
H24 H 1.166089 1.403628 -0.855708 0.031 Uiso 1 1 calc R . . . .
C25 C 1.1035(2) 1.3030(2) -0.6969(2) 0.0232(5) Uani 1 1 d . . . . .
H25 H 1.011879 1.308619 -0.708490 0.028 Uiso 1 1 calc R . . . .
C26 C 0.7337(2) 1.0606(2) -0.3926(2) 0.0206(5) Uani 1 1 d . . . . .
H26 H 0.690301 1.080188 -0.462642 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 Ag1 3.3554(4) 2_675 ?
Ag1 N1 2.1392(19) . ?
Ag1 N5 2.146(2) . ?
Cl1 O1 1.427(2) . ?
Cl1 O2 1.433(2) . ?
Cl1 O3 1.422(2) . ?
Cl1 O4 1.414(2) . ?
N1 C4 1.345(3) . ?
N1 C16 1.348(3) . ?
N2 C19 1.268(3) . ?
N2 C20 1.410(3) . ?
C3 H3A 0.9135 . ?
C3 H3B 1.0354 . ?
C3 H3C 0.9569 . ?
C3 C23 1.502(3) . ?
C4 H4 0.8801 . ?
C4 C26 1.386(3) . ?
N5 C2 1.343(3) . ?
N5 C15 1.351(3) . ?
N6 H6 0.8993 . ?
N6 C5 1.273(3) . ?
N6 C7 1.416(3) . ?
C2 H2 0.9300 . ?
C2 C0AA 1.375(3) . ?
C0AA H0AA 0.9300 . ?
C0AA C1AA 1.394(3) . ?
C1AA C5 1.471(3) . ?
C1AA C14 1.390(3) . ?
C5 H5 0.9300 . ?
C7 C8 1.397(3) . ?
C7 C13 1.391(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.383(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.392(4) . ?
C10 C11 1.504(3) . ?
C10 C12 1.392(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C13 1.385(3) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.380(3) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.375(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.399(3) . ?
C18 C19 1.471(3) . ?
C18 C26 1.387(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.395(3) . ?
C20 C25 1.399(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.383(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.399(3) . ?
C23 C24 1.388(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.388(3) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?

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 Ag1 99.27(5) . 2_675 ?
N1 Ag1 N5 174.58(7) . . ?
N5 Ag1 Ag1 84.87(5) . 2_675 ?
O1 Cl1 O2 109.50(17) . . ?
O3 Cl1 O1 108.47(14) . . ?
O3 Cl1 O2 108.71(15) . . ?
O4 Cl1 O1 111.15(17) . . ?
O4 Cl1 O2 109.49(14) . . ?
O4 Cl1 O3 109.48(17) . . ?
C4 N1 Ag1 122.14(16) . . ?
C4 N1 C16 117.7(2) . . ?
C16 N1 Ag1 120.18(16) . . ?
C19 N2 C20 123.0(2) . . ?
H3A C3 H3B 110.2 . . ?
H3A C3 H3C 117.6 . . ?
H3B C3 H3C 106.8 . . ?
C23 C3 H3A 108.6 . . ?
C23 C3 H3B 104.5 . . ?
C23 C3 H3C 108.2 . . ?
N1 C4 H4 119.6 . . ?
N1 C4 C26 123.1(2) . . ?
C26 C4 H4 117.3 . . ?
C2 N5 Ag1 119.76(16) . . ?
C2 N5 C15 118.0(2) . . ?
C15 N5 Ag1 122.23(16) . . ?
C5 N6 H6 117.0 . . ?
C5 N6 C7 119.6(2) . . ?
C7 N6 H6 123.2 . . ?
N5 C2 H2 118.6 . . ?
N5 C2 C0AA 122.7(2) . . ?
C0AA C2 H2 118.6 . . ?
C2 C0AA H0AA 120.3 . . ?
C2 C0AA C1AA 119.4(2) . . ?
C1AA C0AA H0AA 120.3 . . ?
C0AA C1AA C5 119.4(2) . . ?
C14 C1AA C0AA 118.1(2) . . ?
C14 C1AA C5 122.5(2) . . ?
N6 C5 C1AA 121.5(2) . . ?
N6 C5 H5 119.3 . . ?
C1AA C5 H5 119.3 . . ?
C8 C7 N6 118.1(2) . . ?
C13 C7 N6 123.1(2) . . ?
C13 C7 C8 118.7(2) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.8(2) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 118.9 . . ?
C8 C9 C10 122.2(2) . . ?
C10 C9 H9 118.9 . . ?
C9 C10 C11 122.4(2) . . ?
C12 C10 C9 117.2(2) . . ?
C12 C10 C11 120.3(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12 119.2 . . ?
C13 C12 C10 121.5(2) . . ?
C13 C12 H12 119.2 . . ?
C7 C13 H13 119.7 . . ?
C12 C13 C7 120.6(2) . . ?
C12 C13 H13 119.7 . . ?
C1AA C14 H14 120.4 . . ?
C15 C14 C1AA 119.2(2) . . ?
C15 C14 H14 120.4 . . ?
N5 C15 C14 122.6(2) . . ?
N5 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
N1 C16 H16 118.7 . . ?
N1 C16 C17 122.6(2) . . ?
C17 C16 H16 118.7 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.7(2) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C19 120.2(2) . . ?
C26 C18 C17 117.8(2) . . ?
C26 C18 C19 122.0(2) . . ?
N2 C19 C18 118.6(2) . . ?
N2 C19 H19 120.7 . . ?
C18 C19 H19 120.7 . . ?
C21 C20 N2 115.8(2) . . ?
C21 C20 C25 119.0(2) . . ?
C25 C20 N2 125.0(2) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 C20 121.1(2) . . ?
C22 C21 H21 119.5 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C3 120.6(2) . . ?
C24 C23 C3 121.3(2) . . ?
C24 C23 C22 118.1(2) . . ?
C23 C24 H24 118.9 . . ?
C23 C24 C25 122.3(2) . . ?
C25 C24 H24 118.9 . . ?
C20 C25 H25 120.4 . . ?
C24 C25 C20 119.1(2) . . ?
C24 C25 H25 120.4 . . ?
C4 C26 H26 120.5 . . ?
C18 C26 C4 119.1(2) . . ?
C18 C26 H26 120.5 . . ?

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 C4 C26 -178.66(17) . . . . ?
Ag1 N1 C16 C17 178.81(18) . . . . ?
Ag1 N5 C2 C0AA -176.63(18) . . . . ?
Ag1 N5 C15 C14 176.34(18) . . . . ?
N1 C4 C26 C18 -0.5(4) . . . . ?
N1 C16 C17 C18 0.2(4) . . . . ?
N2 C20 C21 C22 -178.5(2) . . . . ?
N2 C20 C25 C24 177.2(2) . . . . ?
C3 C23 C24 C25 178.1(2) . . . . ?
C4 N1 C16 C17 0.5(4) . . . . ?
N5 C2 C0AA C1AA 0.3(4) . . . . ?
N6 C7 C8 C9 -174.9(2) . . . . ?
N6 C7 C13 C12 173.6(2) . . . . ?
C2 N5 C15 C14 -1.5(4) . . . . ?
C2 C0AA C1AA C5 177.7(2) . . . . ?
C2 C0AA C1AA C14 -1.5(3) . . . . ?
C0AA C1AA C5 N6 -167.1(2) . . . . ?
C0AA C1AA C14 C15 1.3(3) . . . . ?
C1AA C14 C15 N5 0.2(4) . . . . ?
C5 N6 C7 C8 -156.7(2) . . . . ?
C5 N6 C7 C13 27.8(3) . . . . ?
C5 C1AA C14 C15 -177.9(2) . . . . ?
C7 N6 C5 C1AA -175.8(2) . . . . ?
C7 C8 C9 C10 0.9(4) . . . . ?
C8 C7 C13 C12 -1.9(4) . . . . ?
C8 C9 C10 C11 176.1(2) . . . . ?
C8 C9 C10 C12 -1.6(4) . . . . ?
C9 C10 C12 C13 0.6(4) . . . . ?
C10 C12 C13 C7 1.2(4) . . . . ?
C11 C10 C12 C13 -177.2(2) . . . . ?
C13 C7 C8 C9 0.8(4) . . . . ?
C14 C1AA C5 N6 12.1(4) . . . . ?
C15 N5 C2 C0AA 1.2(4) . . . . ?
C16 N1 C4 C26 -0.4(3) . . . . ?
C16 C17 C18 C19 179.6(2) . . . . ?
C16 C17 C18 C26 -1.0(3) . . . . ?
C17 C18 C19 N2 -9.2(3) . . . . ?
C17 C18 C26 C4 1.1(3) . . . . ?
C19 N2 C20 C21 -159.7(2) . . . . ?
C19 N2 C20 C25 24.4(4) . . . . ?
C19 C18 C26 C4 -179.5(2) . . . . ?
C20 N2 C19 C18 179.8(2) . . . . ?
C20 C21 C22 C23 1.3(4) . . . . ?
C21 C20 C25 C24 1.5(4) . . . . ?
C21 C22 C23 C3 -179.0(2) . . . . ?
C21 C22 C23 C24 0.7(4) . . . . ?
C22 C23 C24 C25 -1.6(4) . . . . ?
C23 C24 C25 C20 0.5(4) . . . . ?
C25 C20 C21 C22 -2.4(4) . . . . ?
C26 C18 C19 N2 171.5(2) . . . . ?

####################################################################### 
# 
# 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_Complex_10
_database_code_depnum_ccdc_archive 'CCDC 2062329'
loop_
_audit_author_name
_audit_author_address
'Sizwe Zamisa'
;University of KwaZulu Natal
South Africa
;
_audit_update_record             
;
2021-02-09 deposited with the CCDC.	2021-08-06 downloaded from the CCDC.
;
_audit_creation_date             2021-02-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H16 Ag N4 S2, C F3 O3 S, 0.5(C2 H6 O)'
_chemical_formula_sum            'C26 H19 Ag F3 N4 O3.50 S3'
_chemical_formula_weight         704.50
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.7725(15)
_cell_length_b                   6.7506(6)
_cell_length_c                   23.793(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.660(5)
_cell_angle_gamma                90
_cell_volume                     2594.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.52
_shelx_estimated_absorpt_T_max   0.805
_shelx_estimated_absorpt_T_min   0.717
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7111
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker)'

_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1412
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            44970
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.296
_diffrn_reflns_theta_min         1.332
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5126
_reflns_number_total             6348
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.622
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6348
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0316
_refine_ls_restrained_S_all      1.033
_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)+(0.0397P)²+3.3137P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0874
_refine_special_details          ?

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.27961(2) 0.50596(3) 0.22602(2) 0.02234(7) Uani 1 1 d . . . . .
S2 S -0.15723(4) 0.57991(10) 0.03903(3) 0.01944(13) Uani 1 1 d . . . . .
S1 S 0.72131(3) 0.58532(9) 0.40440(2) 0.01540(12) Uani 1 1 d . . . . .
N1 N 0.72106(12) 0.5613(3) 0.29536(9) 0.0189(4) Uani 1 1 d . . . . .
N2 N 0.41085(13) 0.5164(3) 0.26253(9) 0.0181(4) Uani 1 1 d . . . . .
N3 N 0.14941(13) 0.5139(3) 0.18611(9) 0.0187(4) Uani 1 1 d . . . . .
N4 N -0.16140(12) 0.5665(3) 0.14723(9) 0.0156(4) Uani 1 1 d . . . . .
C2 C 0.87074(16) 0.5774(4) 0.30373(11) 0.0244(5) Uani 1 1 d . . . . .
H2 H 0.863053 0.566401 0.263661 0.029 Uiso 1 1 calc R U . . .
C15 C -0.02169(15) 0.5460(3) 0.13747(10) 0.0160(5) Uani 1 1 d . . . . .
C20 C -0.31134(15) 0.5927(4) 0.13670(11) 0.0193(5) Uani 1 1 d . . . . .
H20 H -0.305174 0.586112 0.176690 0.023 Uiso 1 1 calc R U . . .
C5 C 0.89542(15) 0.6111(3) 0.42570(10) 0.0179(5) Uani 1 1 d . . . . .
H5 H 0.903779 0.623080 0.465815 0.021 Uiso 1 1 calc R U . . .
C16 C 0.03288(16) 0.5382(4) 0.10267(11) 0.0249(6) Uani 1 1 d . . . . .
H16 H 0.012730 0.543491 0.062252 0.030 Uiso 1 1 calc R U . . .
C4 C 0.96132(15) 0.6101(4) 0.40129(11) 0.0205(5) Uani 1 1 d . . . . .
H4 H 1.014918 0.620803 0.425446 0.025 Uiso 1 1 calc R U . . .
C24 C -0.25294(15) 0.5919(4) 0.05332(10) 0.0183(5) Uani 1 1 d . . . . .
C21 C -0.38868(15) 0.6118(4) 0.09756(12) 0.0229(5) Uani 1 1 d . . . . .
H21 H -0.435338 0.618545 0.111520 0.027 Uiso 1 1 calc R U . . .
C3 C 0.94918(15) 0.5934(4) 0.34114(11) 0.0246(5) Uani 1 1 d . . . . .
H3 H 0.994804 0.592965 0.325974 0.029 Uiso 1 1 calc R U . . .
C8 C 0.58252(14) 0.5470(3) 0.30788(10) 0.0156(5) Uani 1 1 d . . . . .
C1 C 0.80304(14) 0.5781(4) 0.32751(10) 0.0176(5) Uani 1 1 d . . . . .
C10 C 0.44543(15) 0.5369(4) 0.32033(11) 0.0189(5) Uani 1 1 d . . . . .
H10 H 0.411036 0.541687 0.345108 0.023 Uiso 1 1 calc R U . . .
C17 C 0.11677(16) 0.5226(4) 0.12810(11) 0.0256(6) Uani 1 1 d . . . . .
H17 H 0.152233 0.517765 0.104079 0.031 Uiso 1 1 calc R U . . .
C9 C 0.52984(15) 0.5512(4) 0.34415(11) 0.0174(5) Uani 1 1 d . . . . .
H9 H 0.551498 0.563587 0.384316 0.021 Uiso 1 1 calc R U . . .
C18 C -0.11120(14) 0.5623(3) 0.11397(10) 0.0162(5) Uani 1 1 d . . . . .
C19 C -0.24260(14) 0.5835(3) 0.11387(10) 0.0171(5) Uani 1 1 d . . . . .
C12 C 0.54668(15) 0.5235(4) 0.24807(11) 0.0198(5) Uani 1 1 d . . . . .
H12 H 0.579826 0.517924 0.222454 0.024 Uiso 1 1 calc R U . . .
C22 C -0.39804(15) 0.6213(4) 0.03727(12) 0.0240(5) Uani 1 1 d . . . . .
H22 H -0.450911 0.634793 0.012209 0.029 Uiso 1 1 calc R U . . .
C11 C 0.46185(15) 0.5087(4) 0.22726(11) 0.0206(5) Uani 1 1 d . . . . .
H11 H 0.438771 0.492659 0.187351 0.025 Uiso 1 1 calc R U . . .
C23 C -0.33152(16) 0.6112(4) 0.01406(11) 0.0226(5) Uani 1 1 d . . . . .
H23 H -0.338375 0.616843 -0.026017 0.027 Uiso 1 1 calc R U . . .
C7 C 0.67291(14) 0.5630(3) 0.32978(10) 0.0155(4) Uani 1 1 d . . . . .
C14 C 0.01264(15) 0.5362(4) 0.19747(11) 0.0189(5) Uani 1 1 d . . . . .
H14 H -0.021537 0.540240 0.222405 0.023 Uiso 1 1 calc R U . . .
C6 C 0.81574(14) 0.5935(3) 0.38816(10) 0.0152(4) Uani 1 1 d . . . . .
C13 C 0.09680(15) 0.5205(4) 0.22006(11) 0.0195(5) Uani 1 1 d . . . . .
H13 H 0.118384 0.514121 0.260354 0.023 Uiso 1 1 calc R U . . .
S3 S 0.23691(4) 0.57039(12) 0.37903(3) 0.02751(15) Uani 1 1 d . . . . .
F2 F 0.24823(16) 0.2356(4) 0.43528(10) 0.0722(8) Uani 1 1 d . . . . .
F3 F 0.17049(12) 0.4474(3) 0.46001(7) 0.0413(4) Uani 1 1 d . . . . .
F1 F 0.12755(14) 0.2974(3) 0.37853(9) 0.0625(6) Uani 1 1 d . . . . .
O3 O 0.30602(17) 0.6406(5) 0.42349(11) 0.0735(10) Uani 1 1 d . . . . .
O2 O 0.25746(13) 0.4628(4) 0.33227(9) 0.0403(6) Uani 1 1 d . . . . .
O1 O 0.16985(17) 0.7072(4) 0.36027(10) 0.0506(6) Uani 1 1 d . . . . .
C25 C 0.19463(18) 0.3773(4) 0.41506(12) 0.0297(6) Uani 1 1 d . . . . .
O4 O 0.4385(4) 0.3705(12) 0.5070(3) 0.090(2) Uani 0.5 1 d D U P A -1
H4A H 0.394918 0.428589 0.492153 0.135 Uiso 0.5 1 calc R U P A -1
C26 C 0.5060(14) 0.487(4) 0.501(2) 0.053(3) Uani 0.5 1 d D U P A -1
H26A H 0.537580 0.413865 0.479265 0.063 Uiso 0.5 1 calc R U P A -1
H26B H 0.542262 0.516865 0.539251 0.063 Uiso 0.5 1 calc R U P A -1
C27 C 0.4765(8) 0.6714(18) 0.4706(6) 0.111(4) Uani 0.5 1 d D U P A -1
H27A H 0.417156 0.668363 0.456862 0.166 Uiso 0.5 1 calc R U P A -1
H27B H 0.499506 0.686341 0.438024 0.166 Uiso 0.5 1 calc R U P A -1
H27C H 0.493288 0.780894 0.496871 0.166 Uiso 0.5 1 calc R U P A -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 N2 2.138(2) . ?
Ag1 N3 2.134(2) . ?
S2 C24 1.730(2) . ?
S2 C18 1.745(2) . ?
S1 C7 1.748(2) . ?
S1 C6 1.730(2) . ?
N1 C1 1.386(3) . ?
N1 C7 1.296(3) . ?
N2 C10 1.348(3) . ?
N2 C11 1.351(3) . ?
N3 C17 1.342(3) . ?
N3 C13 1.348(3) . ?
N4 C18 1.302(3) . ?
N4 C19 1.384(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.379(4) . ?
C2 C1 1.399(3) . ?
C15 C16 1.391(3) . ?
C15 C18 1.458(3) . ?
C15 C14 1.389(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.384(3) . ?
C20 C19 1.402(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.380(3) . ?
C5 C6 1.398(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.377(4) . ?
C4 H4 0.9300 . ?
C4 C3 1.395(4) . ?
C24 C19 1.405(3) . ?
C24 C23 1.401(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.402(4) . ?
C3 H3 0.9300 . ?
C8 C9 1.392(3) . ?
C8 C12 1.396(3) . ?
C8 C7 1.468(3) . ?
C1 C6 1.405(3) . ?
C10 H10 0.9300 . ?
C10 C9 1.379(3) . ?
C17 H17 0.9300 . ?
C9 H9 0.9300 . ?
C12 H12 0.9300 . ?
C12 C11 1.378(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.374(4) . ?
C11 H11 0.9300 . ?
C23 H23 0.9300 . ?
C14 H14 0.9300 . ?
C14 C13 1.372(3) . ?
C13 H13 0.9300 . ?
S3 O3 1.423(2) . ?
S3 O2 1.446(2) . ?
S3 O1 1.431(2) . ?
S3 C25 1.807(3) . ?
F2 C25 1.312(3) . ?
F3 C25 1.329(3) . ?
F1 C25 1.336(3) . ?
O4 H4A 0.8200 . ?
O4 C26 1.419(19) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.455(18) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?

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
N3 Ag1 N2 175.93(8) . . ?
C24 S2 C18 88.88(11) . . ?
C6 S1 C7 88.74(11) . . ?
C7 N1 C1 110.2(2) . . ?
C10 N2 Ag1 122.02(16) . . ?
C10 N2 C11 117.9(2) . . ?
C11 N2 Ag1 120.07(17) . . ?
C17 N3 Ag1 122.89(17) . . ?
C17 N3 C13 117.6(2) . . ?
C13 N3 Ag1 119.41(16) . . ?
C18 N4 C19 110.5(2) . . ?
C3 C2 H2 120.8 . . ?
C3 C2 C1 118.4(2) . . ?
C1 C2 H2 120.8 . . ?
C16 C15 C18 123.3(2) . . ?
C14 C15 C16 116.9(2) . . ?
C14 C15 C18 119.7(2) . . ?
C21 C20 H20 121.2 . . ?
C21 C20 C19 117.6(2) . . ?
C19 C20 H20 121.2 . . ?
C4 C5 H5 121.1 . . ?
C4 C5 C6 117.8(2) . . ?
C6 C5 H5 121.1 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0(2) . . ?
C17 C16 H16 120.0 . . ?
C5 C4 H4 119.3 . . ?
C5 C4 C3 121.4(2) . . ?
C3 C4 H4 119.3 . . ?
C19 C24 S2 109.59(17) . . ?
C23 C24 S2 129.0(2) . . ?
C23 C24 C19 121.4(2) . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.2(2) . . ?
C22 C21 H21 119.4 . . ?
C2 C3 C4 121.2(2) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C9 C8 C12 117.6(2) . . ?
C9 C8 C7 123.1(2) . . ?
C12 C8 C7 119.3(2) . . ?
N1 C1 C2 124.7(2) . . ?
N1 C1 C6 115.2(2) . . ?
C2 C1 C6 120.1(2) . . ?
N2 C10 H10 118.7 . . ?
N2 C10 C9 122.5(2) . . ?
C9 C10 H10 118.7 . . ?
N3 C17 C16 122.7(2) . . ?
N3 C17 H17 118.7 . . ?
C16 C17 H17 118.7 . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.8(2) . . ?
C10 C9 H9 120.1 . . ?
N4 C18 S2 116.05(18) . . ?
N4 C18 C15 122.4(2) . . ?
C15 C18 S2 121.51(18) . . ?
N4 C19 C20 124.5(2) . . ?
N4 C19 C24 114.9(2) . . ?
C20 C19 C24 120.6(2) . . ?
C8 C12 H12 120.2 . . ?
C11 C12 C8 119.5(2) . . ?
C11 C12 H12 120.2 . . ?
C21 C22 H22 119.0 . . ?
C23 C22 C21 122.0(2) . . ?
C23 C22 H22 119.0 . . ?
N2 C11 C12 122.6(2) . . ?
N2 C11 H11 118.7 . . ?
C12 C11 H11 118.7 . . ?
C24 C23 H23 121.4 . . ?
C22 C23 C24 117.2(2) . . ?
C22 C23 H23 121.4 . . ?
N1 C7 S1 116.42(18) . . ?
N1 C7 C8 122.3(2) . . ?
C8 C7 S1 121.25(17) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 C15 120.2(2) . . ?
C13 C14 H14 119.9 . . ?
C5 C6 S1 129.44(18) . . ?
C5 C6 C1 121.1(2) . . ?
C1 C6 S1 109.47(17) . . ?
N3 C13 C14 122.6(2) . . ?
N3 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
O3 S3 O2 115.07(17) . . ?
O3 S3 O1 115.52(19) . . ?
O3 S3 C25 103.48(16) . . ?
O2 S3 C25 102.02(14) . . ?
O1 S3 O2 114.50(13) . . ?
O1 S3 C25 103.75(14) . . ?
F2 C25 S3 112.5(2) . . ?
F2 C25 F3 107.0(2) . . ?
F2 C25 F1 108.5(3) . . ?
F3 C25 S3 111.6(2) . . ?
F3 C25 F1 106.4(2) . . ?
F1 C25 S3 110.6(2) . . ?
C26 O4 H4A 109.5 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
O4 C26 C27 110.5(16) . . ?
H26A C26 H26B 108.1 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C2 H2 N4 0.93 2.69 3.616(3) 175.4 1_655 yes
C5 H5 F3 0.93 2.47 3.224(3) 138.8 3_666 yes
C10 H10 O2 0.93 2.57 3.279(3) 133.8 . yes
C17 H17 F2 0.93 2.58 3.364(3) 141.8 2 yes
C11 H11 F1 0.93 2.64 3.216(3) 120.5 2 yes
C13 H13 S3 0.93 3.01 3.892(3) 159.6 . yes
C13 H13 O2 0.93 2.52 3.265(3) 137.6 . yes
C13 H13 O1 0.93 2.64 3.466(3) 147.8 . yes

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 N2 C10 C9 -177.54(18) . . . . ?
Ag1 N2 C11 C12 177.08(19) . . . . ?
Ag1 N3 C17 C16 -176.5(2) . . . . ?
Ag1 N3 C13 C14 176.55(19) . . . . ?
S2 C24 C19 N4 -0.5(3) . . . . ?
S2 C24 C19 C20 179.35(18) . . . . ?
S2 C24 C23 C22 -178.7(2) . . . . ?
N1 C1 C6 S1 0.2(3) . . . . ?
N1 C1 C6 C5 180.0(2) . . . . ?
N2 C10 C9 C8 0.8(4) . . . . ?
C2 C1 C6 S1 -178.8(2) . . . . ?
C2 C1 C6 C5 0.9(4) . . . . ?
C15 C16 C17 N3 0.1(4) . . . . ?
C15 C14 C13 N3 0.0(4) . . . . ?
C20 C21 C22 C23 0.3(4) . . . . ?
C5 C4 C3 C2 0.1(4) . . . . ?
C16 C15 C18 S2 -1.7(3) . . . . ?
C16 C15 C18 N4 179.0(2) . . . . ?
C16 C15 C14 C13 0.3(4) . . . . ?
C4 C5 C6 S1 178.76(19) . . . . ?
C4 C5 C6 C1 -0.9(3) . . . . ?
C24 S2 C18 N4 -0.5(2) . . . . ?
C24 S2 C18 C15 -179.9(2) . . . . ?
C21 C20 C19 N4 179.3(2) . . . . ?
C21 C20 C19 C24 -0.5(3) . . . . ?
C21 C22 C23 C24 -0.3(4) . . . . ?
C3 C2 C1 N1 -179.4(3) . . . . ?
C3 C2 C1 C6 -0.4(4) . . . . ?
C8 C12 C11 N2 0.2(4) . . . . ?
C1 N1 C7 S1 0.1(3) . . . . ?
C1 N1 C7 C8 -179.9(2) . . . . ?
C1 C2 C3 C4 -0.1(4) . . . . ?
C10 N2 C11 C12 -0.9(4) . . . . ?
C17 N3 C13 C14 -0.3(4) . . . . ?
C9 C8 C12 C11 1.0(3) . . . . ?
C9 C8 C7 S1 0.9(3) . . . . ?
C9 C8 C7 N1 -179.1(2) . . . . ?
C18 S2 C24 C19 0.53(18) . . . . ?
C18 S2 C24 C23 179.3(2) . . . . ?
C18 N4 C19 C20 -179.7(2) . . . . ?
C18 N4 C19 C24 0.1(3) . . . . ?
C18 C15 C16 C17 -179.9(2) . . . . ?
C18 C15 C14 C13 179.9(2) . . . . ?
C19 N4 C18 S2 0.4(3) . . . . ?
C19 N4 C18 C15 179.7(2) . . . . ?
C19 C20 C21 C22 0.1(4) . . . . ?
C19 C24 C23 C22 0.0(4) . . . . ?
C12 C8 C9 C10 -1.5(3) . . . . ?
C12 C8 C7 S1 -178.10(18) . . . . ?
C12 C8 C7 N1 1.8(4) . . . . ?
C11 N2 C10 C9 0.4(3) . . . . ?
C23 C24 C19 N4 -179.3(2) . . . . ?
C23 C24 C19 C20 0.5(4) . . . . ?
C7 S1 C6 C5 -179.8(2) . . . . ?
C7 S1 C6 C1 -0.16(18) . . . . ?
C7 N1 C1 C2 178.8(3) . . . . ?
C7 N1 C1 C6 -0.2(3) . . . . ?
C7 C8 C9 C10 179.5(2) . . . . ?
C7 C8 C12 C11 -179.9(2) . . . . ?
C14 C15 C16 C17 -0.4(4) . . . . ?
C14 C15 C18 S2 178.75(18) . . . . ?
C14 C15 C18 N4 -0.6(4) . . . . ?
C6 S1 C7 N1 0.0(2) . . . . ?
C6 S1 C7 C8 180.0(2) . . . . ?
C6 C5 C4 C3 0.4(4) . . . . ?
C13 N3 C17 C16 0.2(4) . . . . ?
O3 S3 C25 F2 -59.3(3) . . . . ?
O3 S3 C25 F3 61.0(3) . . . . ?
O3 S3 C25 F1 179.2(2) . . . . ?
O2 S3 C25 F2 60.5(2) . . . . ?
O2 S3 C25 F3 -179.3(2) . . . . ?
O2 S3 C25 F1 -61.1(2) . . . . ?
O1 S3 C25 F2 179.7(2) . . . . ?
O1 S3 C25 F3 -60.0(2) . . . . ?
O1 S3 C25 F1 58.2(2) . . . . ?

