# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_xsc1688a-auto
_database_code_depnum_ccdc_archive 'CCDC 1491751'
_audit_update_record             
;
2016-07-08 deposited with the CCDC.
2016-11-24 downloaded from the CCDC.
;
_audit_creation_date             2016-07-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H25 Ag2 B F8 N4 O6 S2'
_chemical_formula_sum            'C31 H25 Ag2 B F8 N4 O6 S2'
_chemical_formula_weight         992.22
_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'
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'
B B 0.0013 0.0007 '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'
S S 0.1246 0.1234 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   26.8250(13)
_cell_length_b                   14.8903(7)
_cell_length_c                   22.4731(11)
_cell_angle_alpha                90
_cell_angle_beta                 115.102(2)
_cell_angle_gamma                90
_cell_volume                     8128.7(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.78
_cell_measurement_theta_min      2.48
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.146
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5 Bruker AXS Madison WI USA'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3920
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_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            46665
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.454
_diffrn_reflns_theta_min         1.992
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Advanced Light Source, station 11.3.1'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5851
_reflns_number_total             7509
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.34A Bruker-AXS, Madison WI'
_computing_data_collection       'Bruker APEX2 Bruker-AXS, Madison WI'
_computing_data_reduction        'SAINT V8.34A Bruker-AXS, Madison WI'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         5.418
_refine_diff_density_min         -1.873
_refine_diff_density_rms         0.200
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         7509
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0742
_refine_ls_restrained_S_all      1.137
_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)+(0.1730P)²+39.7569P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2462
_refine_ls_wR_factor_ref         0.2626
_refine_special_details          ', SQUEEZE'
_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:
 C24(H24), C10(H10), C8(H8), C7(H7), C5(H5), C4(H4), C3(H3), C2(H2), C12(H12),
 C13(H13), C20(H20), C15(H15), C16(H16)
2.b Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C28(H28A,H28B,H28C), C31(H31A,H31B,H31C), C29(H29A,H29B,
 H29C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   diffmap
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 0.43001(3) 0.65903(5) 0.44999(3) 0.0503(3) Uani 1 1 d . . . . .
Ag2 Ag 0.24918(2) 0.85489(4) 0.48245(3) 0.0393(2) Uani 1 1 d . . . . .
S1 S 0.28629(8) 0.70212(13) 0.38802(9) 0.0419(4) Uani 1 1 d . . . . .
S2 S 0.37617(8) 0.72396(14) 0.57486(9) 0.0432(5) Uani 1 1 d . . . . .
F3 F 0.2469(3) 0.7146(5) 0.2614(3) 0.0805(18) Uani 1 1 d . . . . .
F4 F 0.1942(3) 0.6450(5) 0.2957(4) 0.093(2) Uani 1 1 d . . . . .
F5 F 0.2653(3) 0.5796(4) 0.2987(3) 0.086(2) Uani 1 1 d . . . . .
F7 F 0.4540(3) 0.6927(6) 0.6907(3) 0.101(2) Uani 1 1 d . . . . .
F8 F 0.3969(3) 0.7963(7) 0.6882(3) 0.109(3) Uani 1 1 d . . . . .
F6 F 0.4577(3) 0.8188(6) 0.6542(4) 0.094(2) Uani 1 1 d . . . . .
F2 F 0.2248(2) 0.7097(3) -0.0816(3) 0.0601(13) Uani 1 1 d . . . . .
F1 F 0.2702(2) 0.5955(3) -0.1023(2) 0.0536(12) Uani 1 1 d . . . . .
O1 O 0.3399(2) 0.7100(5) 0.3890(3) 0.0594(16) Uani 1 1 d . . . . .
O3 O 0.2594(3) 0.7844(4) 0.3885(3) 0.0643(17) Uani 1 1 d . . . . .
O6 O 0.3482(3) 0.6490(5) 0.5887(4) 0.083(3) Uani 1 1 d . . . . .
O4 O 0.4114(3) 0.6999(6) 0.5457(3) 0.080(2) Uani 1 1 d . . . . .
O2 O 0.2816(3) 0.6342(4) 0.4306(3) 0.0516(14) Uani 1 1 d . . . . .
O5 O 0.3413(3) 0.7987(5) 0.5482(3) 0.0682(18) Uani 1 1 d . . . . .
N2 N 0.4568(2) 0.5975(4) 0.3690(3) 0.0391(14) Uani 1 1 d . . . . .
N1 N 0.5224(3) 0.6148(4) 0.5015(3) 0.0421(14) Uani 1 1 d . . . . .
N3 N 0.3212(3) 0.6928(4) -0.0090(3) 0.0453(16) Uani 1 1 d . . . . .
N4 N 0.2510(3) 0.5836(4) -0.0072(3) 0.0411(14) Uani 1 1 d . . . . .
C26 C 0.2459(4) 0.6573(7) 0.3064(5) 0.060(2) Uani 1 1 d . . . . .
C27 C 0.4228(4) 0.7601(8) 0.6561(4) 0.060(2) Uani 1 1 d . . . . .
C24 C 0.2058(3) 0.4911(5) 0.0311(4) 0.0450(18) Uani 1 1 d . . . . .
H24 H 0.1789 0.4522 0.0315 0.054 Uiso 1 1 calc R . . . .
C10 C 0.5029(3) 0.5589(5) 0.3960(4) 0.0405(16) Uani 1 1 d . . . . .
H10 H 0.5151 0.5256 0.3697 0.049 Uiso 1 1 calc R . . . .
C9 C 0.5376(3) 0.5638(5) 0.4654(4) 0.0402(17) Uani 1 1 d . . . . .
C8 C 0.5875(3) 0.5126(5) 0.4923(5) 0.0465(19) Uani 1 1 d . . . . .
H8 H 0.5968 0.4748 0.4656 0.056 Uiso 1 1 calc R . . . .
C7 C 0.6209(3) 0.5201(5) 0.5569(5) 0.052(2) Uani 1 1 d . . . . .
H7 H 0.6532 0.4865 0.5750 0.062 Uiso 1 1 calc R . . . .
C6 C 0.6073(3) 0.5793(6) 0.5980(4) 0.050(2) Uani 1 1 d . . . . .
C5 C 0.6406(3) 0.5946(7) 0.6650(5) 0.063(3) Uani 1 1 d . . . . .
H5 H 0.6732 0.5627 0.6859 0.075 Uiso 1 1 calc R . . . .
C4 C 0.6257(4) 0.6552(7) 0.6997(5) 0.061(3) Uani 1 1 d . . . . .
H4 H 0.6484 0.6646 0.7440 0.073 Uiso 1 1 calc R . . . .
C3 C 0.5763(3) 0.7039(8) 0.6692(4) 0.059(2) Uani 1 1 d . . . . .
H3 H 0.5667 0.7470 0.6925 0.071 Uiso 1 1 calc R . . . .
C2 C 0.5424(3) 0.6865(7) 0.6041(4) 0.056(2) Uani 1 1 d . . . . .
H2 H 0.5090 0.7167 0.5845 0.067 Uiso 1 1 calc R . . . .
C1 C 0.5564(3) 0.6253(6) 0.5668(4) 0.0452(18) Uani 1 1 d . . . . .
C11 C 0.4257(3) 0.5959(5) 0.2989(4) 0.0392(16) Uani 1 1 d . . . . .
C12 C 0.4298(3) 0.5314(5) 0.2573(4) 0.0392(16) Uani 1 1 d . . . . .
H12 H 0.4538 0.4834 0.2746 0.047 Uiso 1 1 calc R . . . .
C13 C 0.3991(3) 0.5369(5) 0.1911(4) 0.0419(17) Uani 1 1 d . . . . .
H13 H 0.4016 0.4918 0.1638 0.050 Uiso 1 1 calc R . . . .
C14 C 0.3641(3) 0.6093(5) 0.1641(4) 0.0416(17) Uani 1 1 d . . . . .
C17 C 0.3328(3) 0.6194(5) 0.0922(4) 0.0395(16) Uani 1 1 d . . . . .
C18 C 0.3509(3) 0.6785(5) 0.0574(4) 0.0452(18) Uani 1 1 d . . . . .
C25 C 0.2051(4) 0.5356(6) -0.0248(4) 0.0477(19) Uani 1 1 d . . . . .
C23 C 0.2536(3) 0.5153(5) 0.0853(4) 0.0394(16) Uani 1 1 d . . . . .
C22 C 0.2829(3) 0.5737(5) 0.0604(4) 0.0395(16) Uani 1 1 d . . . . .
C21 C 0.3471(5) 0.7538(5) -0.0281(5) 0.059(3) Uani 1 1 d . . . . .
C20 C 0.3951(5) 0.7819(6) 0.0246(5) 0.063(3) Uani 1 1 d . . . . .
H20 H 0.4200 0.8244 0.0231 0.075 Uiso 1 1 calc R . . . .
C19 C 0.3989(4) 0.7351(5) 0.0789(5) 0.052(2) Uani 1 1 d . . . . .
C15 C 0.3586(3) 0.6743(5) 0.2064(4) 0.0427(17) Uani 1 1 d . . . . .
H15 H 0.3349 0.7227 0.1892 0.051 Uiso 1 1 calc R . . . .
C16 C 0.3885(3) 0.6659(5) 0.2728(4) 0.0439(18) Uani 1 1 d . . . . .
H16 H 0.3837 0.7075 0.3009 0.053 Uiso 1 1 calc R . . . .
B1 B 0.2652(5) 0.6445(6) -0.0530(5) 0.049(2) Uani 1 1 d . . . . .
C30 C 0.2682(3) 0.4880(6) 0.1543(4) 0.0450(18) Uani 1 1 d . . . . .
H30A H 0.2405 0.4481 0.1554 0.068 Uiso 1 1 calc GR . . . .
H30B H 0.2703 0.5403 0.1802 0.068 Uiso 1 1 calc GR . . . .
H30C H 0.3032 0.4580 0.1717 0.068 Uiso 1 1 calc GR . . . .
C28 C 0.4446(4) 0.7464(6) 0.1473(5) 0.060(2) Uani 1 1 d . . . . .
H28A H 0.4746 0.7789 0.1448 0.090 Uiso 1 1 calc GR . . . .
H28B H 0.4572 0.6884 0.1664 0.090 Uiso 1 1 calc GR . . . .
H28C H 0.4310 0.7792 0.1741 0.090 Uiso 1 1 calc GR . . . .
C31 C 0.1620(4) 0.5308(6) -0.0940(4) 0.060(2) Uani 1 1 d . . . . .
H31A H 0.1484 0.5900 -0.1090 0.091 Uiso 1 1 calc GR . . . .
H31B H 0.1322 0.4935 -0.0957 0.091 Uiso 1 1 calc GR . . . .
H31C H 0.1776 0.5057 -0.1216 0.091 Uiso 1 1 calc GR . . . .
C29 C 0.3246(5) 0.7900(7) -0.0983(5) 0.072(3) Uani 1 1 d . . . . .
H29A H 0.3032 0.7443 -0.1284 0.108 Uiso 1 1 calc GR . . . .
H29B H 0.3547 0.8073 -0.1083 0.108 Uiso 1 1 calc GR . . . .
H29C H 0.3017 0.8413 -0.1022 0.108 Uiso 1 1 calc GR . . . .


_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 O1 2.343(6) . ?
Ag1 O4 2.482(6) . ?
Ag1 N2 2.404(6) . ?
Ag1 N1 2.342(6) . ?
Ag2 Ag2 3.2174(11) 7_566 ?
Ag2 O3 2.475(6) . ?
Ag2 O6 2.417(8) 7_566 ?
Ag2 O2 2.428(5) 7_566 ?
Ag2 O5 2.428(6) . ?
Ag2 C24 2.444(8) 4 ?
S1 O1 1.432(6) . ?
S1 O3 1.424(6) . ?
S1 O2 1.434(6) . ?
S1 C26 1.815(10) . ?
S2 O6 1.450(8) . ?
S2 O4 1.406(6) . ?
S2 O5 1.413(7) . ?
S2 C27 1.803(9) . ?
F3 C26 1.333(12) . ?
F4 C26 1.316(12) . ?
F5 C26 1.309(11) . ?
F7 C27 1.326(12) . ?
F8 C27 1.310(11) . ?
F6 C27 1.296(13) . ?
F2 B1 1.393(10) . ?
F1 B1 1.381(10) . ?
O6 Ag2 2.417(8) 7_566 ?
O2 Ag2 2.428(5) 7_566 ?
N2 C10 1.260(9) . ?
N2 C11 1.436(10) . ?
N1 C9 1.296(10) . ?
N1 C1 1.368(11) . ?
N3 C18 1.378(11) . ?
N3 C21 1.321(11) . ?
N3 B1 1.578(14) . ?
N4 C25 1.329(11) . ?
N4 C22 1.399(10) . ?
N4 B1 1.536(12) . ?
C24 Ag2 2.444(8) 4_545 ?
C24 H24 0.9300 . ?
C24 C25 1.413(12) . ?
C24 C23 1.389(11) . ?
C10 H10 0.9300 . ?
C10 C9 1.440(11) . ?
C9 C8 1.433(10) . ?
C8 H8 0.9300 . ?
C8 C7 1.349(13) . ?
C7 H7 0.9300 . ?
C7 C6 1.433(13) . ?
C6 C5 1.405(13) . ?
C6 C1 1.419(11) . ?
C5 H5 0.9300 . ?
C5 C4 1.358(15) . ?
C4 H4 0.9300 . ?
C4 C3 1.408(13) . ?
C3 H3 0.9300 . ?
C3 C2 1.380(13) . ?
C2 H2 0.9300 . ?
C2 C1 1.393(13) . ?
C11 C12 1.378(10) . ?
C11 C16 1.390(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.362(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.389(11) . ?
C14 C17 1.479(11) . ?
C14 C15 1.406(10) . ?
C17 C18 1.396(12) . ?
C17 C22 1.396(11) . ?
C18 C19 1.440(12) . ?
C25 C31 1.494(12) . ?
C23 C22 1.437(11) . ?
C23 C30 1.485(11) . ?
C21 C20 1.395(15) . ?
C21 C29 1.527(13) . ?
C20 H20 0.9300 . ?
C20 C19 1.372(13) . ?
C19 C28 1.514(14) . ?
C15 H15 0.9300 . ?
C15 C16 1.368(12) . ?
C16 H16 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 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
O1 Ag1 O4 83.7(2) . . ?
O1 Ag1 N2 104.3(2) . . ?
N2 Ag1 O4 169.9(3) . . ?
N1 Ag1 O1 173.5(2) . . ?
N1 Ag1 O4 101.6(2) . . ?
N1 Ag1 N2 70.9(2) . . ?
O3 Ag2 Ag2 78.61(16) . 7_566 ?
O6 Ag2 Ag2 92.14(16) 7_566 7_566 ?
O6 Ag2 O3 84.6(3) 7_566 . ?
O6 Ag2 O2 83.8(3) 7_566 7_566 ?
O6 Ag2 O5 158.5(2) 7_566 . ?
O6 Ag2 C24 112.9(2) 7_566 4 ?
O2 Ag2 Ag2 80.88(14) 7_566 7_566 ?
O2 Ag2 O3 156.0(2) 7_566 . ?
O2 Ag2 O5 98.0(2) 7_566 . ?
O2 Ag2 C24 113.5(2) 7_566 4 ?
O5 Ag2 Ag2 67.16(18) . 7_566 ?
O5 Ag2 O3 85.4(2) . . ?
O5 Ag2 C24 86.1(3) . 4 ?
C24 Ag2 Ag2 151.65(19) 4 7_566 ?
C24 Ag2 O3 90.4(3) 4 . ?
O1 S1 O2 114.7(4) . . ?
O1 S1 C26 102.2(4) . . ?
O3 S1 O1 115.9(5) . . ?
O3 S1 O2 114.4(4) . . ?
O3 S1 C26 103.7(4) . . ?
O2 S1 C26 103.4(4) . . ?
O6 S2 C27 102.2(5) . . ?
O4 S2 O6 114.5(6) . . ?
O4 S2 O5 117.2(5) . . ?
O4 S2 C27 103.5(4) . . ?
O5 S2 O6 112.9(5) . . ?
O5 S2 C27 104.1(5) . . ?
S1 O1 Ag1 139.7(4) . . ?
S1 O3 Ag2 127.7(4) . . ?
S2 O6 Ag2 112.9(4) . 7_566 ?
S2 O4 Ag1 152.7(4) . . ?
S1 O2 Ag2 130.2(3) . 7_566 ?
S2 O5 Ag2 148.1(5) . . ?
C10 N2 Ag1 110.9(5) . . ?
C10 N2 C11 121.0(6) . . ?
C11 N2 Ag1 128.0(5) . . ?
C9 N1 Ag1 113.7(5) . . ?
C9 N1 C1 119.7(7) . . ?
C1 N1 Ag1 125.5(5) . . ?
C18 N3 B1 124.6(7) . . ?
C21 N3 C18 108.4(8) . . ?
C21 N3 B1 127.0(8) . . ?
C25 N4 C22 109.3(6) . . ?
C25 N4 B1 125.4(7) . . ?
C22 N4 B1 125.2(7) . . ?
F3 C26 S1 109.6(8) . . ?
F4 C26 S1 111.5(6) . . ?
F4 C26 F3 108.0(8) . . ?
F5 C26 S1 111.0(7) . . ?
F5 C26 F3 109.1(8) . . ?
F5 C26 F4 107.5(9) . . ?
F7 C27 S2 111.2(8) . . ?
F8 C27 S2 112.3(6) . . ?
F8 C27 F7 109.8(8) . . ?
F6 C27 S2 111.6(7) . . ?
F6 C27 F7 104.1(8) . . ?
F6 C27 F8 107.5(9) . . ?
Ag2 C24 H24 84.9 4_545 . ?
C25 C24 Ag2 95.7(5) . 4_545 ?
C25 C24 H24 125.8 . . ?
C23 C24 Ag2 90.2(5) . 4_545 ?
C23 C24 H24 125.8 . . ?
C23 C24 C25 108.5(7) . . ?
N2 C10 H10 118.3 . . ?
N2 C10 C9 123.3(7) . . ?
C9 C10 H10 118.3 . . ?
N1 C9 C10 118.5(6) . . ?
N1 C9 C8 122.2(8) . . ?
C8 C9 C10 119.3(7) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 C9 119.0(8) . . ?
C7 C8 H8 120.5 . . ?
C8 C7 H7 119.7 . . ?
C8 C7 C6 120.7(7) . . ?
C6 C7 H7 119.7 . . ?
C5 C6 C7 124.7(8) . . ?
C5 C6 C1 119.6(9) . . ?
C1 C6 C7 115.7(8) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 C6 121.0(8) . . ?
C4 C5 H5 119.5 . . ?
C5 C4 H4 119.7 . . ?
C5 C4 C3 120.5(9) . . ?
C3 C4 H4 119.7 . . ?
C4 C3 H3 120.7 . . ?
C2 C3 C4 118.7(10) . . ?
C2 C3 H3 120.7 . . ?
C3 C2 H2 118.8 . . ?
C3 C2 C1 122.5(8) . . ?
C1 C2 H2 118.8 . . ?
N1 C1 C6 122.6(8) . . ?
N1 C1 C2 119.6(7) . . ?
C2 C1 C6 117.7(8) . . ?
C12 C11 N2 125.5(7) . . ?
C12 C11 C16 119.1(8) . . ?
C16 C11 N2 115.4(6) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 120.9(7) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.5(7) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C17 121.4(7) . . ?
C13 C14 C15 119.0(7) . . ?
C15 C14 C17 119.6(7) . . ?
C18 C17 C14 120.3(7) . . ?
C18 C17 C22 120.4(7) . . ?
C22 C17 C14 119.2(7) . . ?
N3 C18 C17 121.7(7) . . ?
N3 C18 C19 107.3(7) . . ?
C17 C18 C19 131.0(8) . . ?
N4 C25 C24 109.0(7) . . ?
N4 C25 C31 123.1(8) . . ?
C24 C25 C31 127.9(8) . . ?
C24 C23 C22 105.6(7) . . ?
C24 C23 C30 125.5(7) . . ?
C22 C23 C30 128.8(7) . . ?
N4 C22 C23 107.5(6) . . ?
C17 C22 N4 121.2(7) . . ?
C17 C22 C23 131.2(7) . . ?
N3 C21 C20 110.8(8) . . ?
N3 C21 C29 123.1(10) . . ?
C20 C21 C29 126.1(9) . . ?
C21 C20 H20 126.4 . . ?
C19 C20 C21 107.3(9) . . ?
C19 C20 H20 126.4 . . ?
C18 C19 C28 129.0(8) . . ?
C20 C19 C18 106.2(9) . . ?
C20 C19 C28 124.7(9) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 C14 119.6(7) . . ?
C16 C15 H15 120.2 . . ?
C11 C16 H16 119.6 . . ?
C15 C16 C11 120.8(7) . . ?
C15 C16 H16 119.6 . . ?
F2 B1 N3 108.6(7) . . ?
F2 B1 N4 110.8(7) . . ?
F1 B1 F2 108.6(7) . . ?
F1 B1 N3 110.7(7) . . ?
F1 B1 N4 111.3(7) . . ?
N4 B1 N3 106.9(7) . . ?
C23 C30 H30A 109.5 . . ?
C23 C30 H30B 109.5 . . ?
C23 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C19 C28 H28A 109.5 . . ?
C19 C28 H28B 109.5 . . ?
C19 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C31 H31A 109.5 . . ?
C25 C31 H31B 109.5 . . ?
C25 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C21 C29 H29A 109.5 . . ?
C21 C29 H29B 109.5 . . ?
C21 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 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
C8 H8 O4 0.93 2.61 3.282(12) 129.1 5_666
C2 H2 O4 0.93 2.40 3.194(10) 143.7 .
C31 H31A F2 0.96 2.58 3.101(12) 114.0 .
C29 H29A F1 0.96 2.55 3.228(12) 128.1 .

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 -8.6(9) . . . . ?
Ag1 N2 C11 C12 -150.4(6) . . . . ?
Ag1 N2 C11 C16 28.8(9) . . . . ?
Ag1 N1 C9 C10 15.3(8) . . . . ?
Ag1 N1 C9 C8 -164.9(5) . . . . ?
Ag1 N1 C1 C6 164.9(5) . . . . ?
Ag1 N1 C1 C2 -18.3(10) . . . . ?
Ag2 C24 C25 N4 -90.5(6) 4_545 . . . ?
Ag2 C24 C25 C31 88.2(8) 4_545 . . . ?
Ag2 C24 C23 C22 94.3(5) 4_545 . . . ?
Ag2 C24 C23 C30 -88.3(7) 4_545 . . . ?
O1 S1 O3 Ag2 -102.9(5) . . . . ?
O1 S1 O2 Ag2 124.5(5) . . . 7_566 ?
O1 S1 C26 F3 -60.4(7) . . . . ?
O1 S1 C26 F4 -180.0(7) . . . . ?
O1 S1 C26 F5 60.2(8) . . . . ?
O3 S1 O1 Ag1 125.9(6) . . . . ?
O3 S1 O2 Ag2 -13.0(7) . . . 7_566 ?
O3 S1 C26 F3 60.5(7) . . . . ?
O3 S1 C26 F4 -59.1(9) . . . . ?
O3 S1 C26 F5 -179.0(7) . . . . ?
O6 S2 O4 Ag1 81.9(14) . . . . ?
O6 S2 O5 Ag2 -30.4(11) . . . . ?
O6 S2 C27 F7 54.5(8) . . . . ?
O6 S2 C27 F8 -69.0(9) . . . . ?
O6 S2 C27 F6 170.3(7) . . . . ?
O4 S2 O6 Ag2 -109.2(5) . . . 7_566 ?
O4 S2 O5 Ag2 105.9(9) . . . . ?
O4 S2 C27 F7 -64.7(9) . . . . ?
O4 S2 C27 F8 171.8(9) . . . . ?
O4 S2 C27 F6 51.0(9) . . . . ?
O2 S1 O1 Ag1 -11.0(8) . . . . ?
O2 S1 O3 Ag2 34.2(7) . . . . ?
O2 S1 C26 F3 -179.8(6) . . . . ?
O2 S1 C26 F4 60.6(8) . . . . ?
O2 S1 C26 F5 -59.3(8) . . . . ?
O5 S2 O6 Ag2 28.3(7) . . . 7_566 ?
O5 S2 O4 Ag1 -53.8(15) . . . . ?
O5 S2 C27 F7 172.2(7) . . . . ?
O5 S2 C27 F8 48.7(10) . . . . ?
O5 S2 C27 F6 -72.1(8) . . . . ?
N2 C10 C9 N1 -4.4(11) . . . . ?
N2 C10 C9 C8 175.7(7) . . . . ?
N2 C11 C12 C13 -178.8(7) . . . . ?
N2 C11 C16 C15 176.5(7) . . . . ?
N1 C9 C8 C7 -2.4(11) . . . . ?
N3 C18 C19 C20 1.0(8) . . . . ?
N3 C18 C19 C28 179.0(7) . . . . ?
N3 C21 C20 C19 0.2(9) . . . . ?
C26 S1 O1 Ag1 -122.1(7) . . . . ?
C26 S1 O3 Ag2 146.0(5) . . . . ?
C26 S1 O2 Ag2 -125.1(5) . . . 7_566 ?
C27 S2 O6 Ag2 139.6(5) . . . 7_566 ?
C27 S2 O4 Ag1 -167.7(12) . . . . ?
C27 S2 O5 Ag2 -140.5(8) . . . . ?
C24 C23 C22 N4 1.4(8) . . . . ?
C24 C23 C22 C17 178.8(7) . . . . ?
C10 N2 C11 C12 24.9(11) . . . . ?
C10 N2 C11 C16 -155.8(7) . . . . ?
C10 C9 C8 C7 177.4(7) . . . . ?
C9 N1 C1 C6 -2.7(11) . . . . ?
C9 N1 C1 C2 174.1(7) . . . . ?
C9 C8 C7 C6 -1.0(11) . . . . ?
C8 C7 C6 C5 -177.0(7) . . . . ?
C8 C7 C6 C1 2.3(11) . . . . ?
C7 C6 C5 C4 176.8(8) . . . . ?
C7 C6 C1 N1 -0.5(11) . . . . ?
C7 C6 C1 C2 -177.4(7) . . . . ?
C6 C5 C4 C3 0.3(13) . . . . ?
C5 C6 C1 N1 178.8(7) . . . . ?
C5 C6 C1 C2 2.0(11) . . . . ?
C5 C4 C3 C2 2.3(14) . . . . ?
C4 C3 C2 C1 -2.8(14) . . . . ?
C3 C2 C1 N1 -176.3(8) . . . . ?
C3 C2 C1 C6 0.6(13) . . . . ?
C1 N1 C9 C10 -175.7(6) . . . . ?
C1 N1 C9 C8 4.1(10) . . . . ?
C1 C6 C5 C4 -2.5(12) . . . . ?
C11 N2 C10 C9 175.3(6) . . . . ?
C11 C12 C13 C14 1.9(11) . . . . ?
C12 C11 C16 C15 -4.2(12) . . . . ?
C12 C13 C14 C17 176.5(7) . . . . ?
C12 C13 C14 C15 -3.4(11) . . . . ?
C13 C14 C17 C18 -100.9(9) . . . . ?
C13 C14 C17 C22 83.4(9) . . . . ?
C13 C14 C15 C16 1.2(12) . . . . ?
C14 C17 C18 N3 -176.6(6) . . . . ?
C14 C17 C18 C19 1.8(12) . . . . ?
C14 C17 C22 N4 177.8(6) . . . . ?
C14 C17 C22 C23 0.7(12) . . . . ?
C14 C15 C16 C11 2.6(12) . . . . ?
C17 C14 C15 C16 -178.7(7) . . . . ?
C17 C18 C19 C20 -177.5(8) . . . . ?
C17 C18 C19 C28 0.4(13) . . . . ?
C18 N3 C21 C20 0.4(9) . . . . ?
C18 N3 C21 C29 -176.9(7) . . . . ?
C18 N3 B1 F2 121.5(7) . . . . ?
C18 N3 B1 F1 -119.5(7) . . . . ?
C18 N3 B1 N4 1.9(9) . . . . ?
C18 C17 C22 N4 2.1(10) . . . . ?
C18 C17 C22 C23 -175.0(7) . . . . ?
C25 N4 C22 C17 -178.1(7) . . . . ?
C25 N4 C22 C23 -0.4(8) . . . . ?
C25 N4 B1 F2 57.6(10) . . . . ?
C25 N4 B1 F1 -63.3(10) . . . . ?
C25 N4 B1 N3 175.8(6) . . . . ?
C25 C24 C23 C22 -1.8(8) . . . . ?
C25 C24 C23 C30 175.7(7) . . . . ?
C23 C24 C25 N4 1.6(9) . . . . ?
C23 C24 C25 C31 -179.6(8) . . . . ?
C22 N4 C25 C24 -0.7(8) . . . . ?
C22 N4 C25 C31 -179.5(7) . . . . ?
C22 N4 B1 F2 -118.9(8) . . . . ?
C22 N4 B1 F1 120.2(8) . . . . ?
C22 N4 B1 N3 -0.7(9) . . . . ?
C22 C17 C18 N3 -0.9(10) . . . . ?
C22 C17 C18 C19 177.4(7) . . . . ?
C21 N3 C18 C17 177.8(7) . . . . ?
C21 N3 C18 C19 -0.9(8) . . . . ?
C21 N3 B1 F2 -57.3(9) . . . . ?
C21 N3 B1 F1 61.7(10) . . . . ?
C21 N3 B1 N4 -176.9(7) . . . . ?
C21 C20 C19 C18 -0.7(9) . . . . ?
C21 C20 C19 C28 -178.8(7) . . . . ?
C15 C14 C17 C18 79.0(9) . . . . ?
C15 C14 C17 C22 -96.7(9) . . . . ?
C16 C11 C12 C13 2.0(11) . . . . ?
B1 N3 C18 C17 -1.2(10) . . . . ?
B1 N3 C18 C19 -179.9(6) . . . . ?
B1 N3 C21 C20 179.4(7) . . . . ?
B1 N3 C21 C29 2.0(12) . . . . ?
B1 N4 C25 C24 -177.7(7) . . . . ?
B1 N4 C25 C31 3.5(12) . . . . ?
B1 N4 C22 C17 -1.1(10) . . . . ?
B1 N4 C22 C23 176.6(6) . . . . ?
C30 C23 C22 N4 -176.0(7) . . . . ?
C30 C23 C22 C17 1.4(13) . . . . ?
C29 C21 C20 C19 177.5(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 -0.155 960.1 0.0 ?
2 0.500 0.000 -0.440 960.1 0.0 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
