# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2407302'
loop_
_audit_author_name
_audit_author_address
'Marko Rodic'
;University of Novi Sad
Serbia
;
_audit_update_record             
;
2026-01-16 deposited with the CCDC.	2026-01-21 downloaded from the CCDC.
;
#exp_code: DA-207_2628_mmmP_a 

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H44 Ag N4 S4, F6 Sb'
_chemical_formula_sum            'C52 H44 Ag F6 N4 S4 Sb'
_chemical_formula_weight         1196.77

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

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

_cell_length_a                   14.3577(2)
_cell_length_b                   22.6188(3)
_cell_length_c                   30.3788(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9865.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    26522
_cell_measurement_theta_min      2.3310
_cell_measurement_theta_max      26.6650

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_F_000             4800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.900
_exptl_crystal_size_mid          0.630
_exptl_crystal_size_min          0.434
_exptl_absorpt_coefficient_mu    1.177
_shelx_estimated_absorpt_T_min   0.417
_shelx_estimated_absorpt_T_max   0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.83679
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022) 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 
;
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.3280
_diffrn_reflns_number            65568
_diffrn_reflns_av_unetI/netI     0.0181
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.150
_diffrn_reflns_theta_max         26.386
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10089
_reflns_number_gt                8276
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_structure_solution    
; Initial coordinates of all atoms taken from the isostructural compound 
 (C52 H44 Ag N4 S4) +, (F6 P) -
;
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Mercury CSD (Macrae et al. 2020)'
_computing_publication_material  'PLATON (Spek, 2009)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0440P)²+7.4637P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   .
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00022(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10089
_refine_ls_number_parameters     618
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0345
_refine_ls_wR_factor_ref         0.0922
_refine_ls_wR_factor_gt          0.0860
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.59397(2) 0.18170(2) 0.63750(2) 0.05322(8) Uani 1 1 d . . . . .
S1B S 0.45965(6) 0.16030(4) 0.69621(3) 0.0620(2) Uani 1 1 d . . . . .
S1C S 0.74819(5) 0.21159(3) 0.66974(2) 0.04682(16) Uani 1 1 d . . . . .
S1D S 0.49518(6) 0.22391(4) 0.57434(2) 0.0578(2) Uani 1 1 d . . . . .
F1 F 0.2948(3) 0.48247(19) 0.53212(11) 0.1682(16) Uani 1 1 d . . . . .
F2 F 0.3239(3) 0.4967(2) 0.65185(12) 0.1741(17) Uani 1 1 d . . . . .
N1B N 0.4478(2) 0.28859(12) 0.68491(9) 0.0603(7) Uani 1 1 d . . . . .
N1C N 0.7906(2) 0.32688(10) 0.62468(8) 0.0547(6) Uani 1 1 d . . . . .
N1D N 0.66257(17) 0.19535(11) 0.52308(8) 0.0530(6) Uani 1 1 d . . . . .
C1A C 0.7252(2) 0.04738(12) 0.62404(11) 0.0516(7) Uani 1 1 d . . . . .
C9B C 0.3682(2) 0.19725(14) 0.66875(10) 0.0527(7) Uani 1 1 d . . . . .
C9C C 0.83268(19) 0.22318(12) 0.62829(9) 0.0430(6) Uani 1 1 d . . . . .
C9D C 0.5627(2) 0.27580(13) 0.54491(9) 0.0548(7) Uani 1 1 d . . . . .
C10B C 0.2980(3) 0.1657(2) 0.64890(13) 0.0779(11) Uani 1 1 d . . . . .
H10B H 0.294704 0.124937 0.652637 0.093 Uiso 1 1 calc R U . . .
C10C C 0.8857(2) 0.17530(13) 0.61479(11) 0.0536(7) Uani 1 1 d . . . . .
H10C H 0.875460 0.138279 0.627198 0.064 Uiso 1 1 calc R U . . .
C10D C 0.5352(3) 0.33463(15) 0.54294(11) 0.0711(10) Uani 1 1 d . . . . .
H10D H 0.481365 0.347132 0.557201 0.085 Uiso 1 1 calc R U . . .
C11B C 0.2332(3) 0.1940(3) 0.62376(16) 0.1050(18) Uani 1 1 d . . . . .
H11B H 0.185991 0.172642 0.610050 0.126 Uiso 1 1 calc R U . . .
C11C C 0.9531(2) 0.18221(16) 0.58322(11) 0.0625(8) Uani 1 1 d . . . . .
H11C H 0.988067 0.150009 0.573733 0.075 Uiso 1 1 calc R U . . .
C11D C 0.5894(4) 0.37463(16) 0.51932(14) 0.0857(13) Uani 1 1 d . . . . .
H11D H 0.571917 0.414155 0.517580 0.103 Uiso 1 1 calc R U . . .
C12B C 0.2383(3) 0.2534(3) 0.61894(14) 0.1020(18) Uani 1 1 d . . . . .
H12B H 0.194043 0.272455 0.601619 0.122 Uiso 1 1 calc R U . . .
C12C C 0.9682(3) 0.23716(17) 0.56592(11) 0.0686(9) Uani 1 1 d . . . . .
H12C H 1.014426 0.242160 0.544799 0.082 Uiso 1 1 calc R U . . .
C12D C 0.6680(3) 0.35553(18) 0.49881(14) 0.0841(12) Uani 1 1 d . . . . .
H12D H 0.704352 0.382605 0.483479 0.101 Uiso 1 1 calc R U . . .
C13B C 0.3066(3) 0.2866(2) 0.63882(12) 0.0770(11) Uani 1 1 d . . . . .
H13B H 0.308006 0.327442 0.635185 0.092 Uiso 1 1 calc R U . . .
C13C C 0.9163(2) 0.28549(16) 0.57913(10) 0.0611(8) Uani 1 1 d . . . . .
H13C H 0.928339 0.322460 0.567008 0.073 Uiso 1 1 calc R U . . .
C13D C 0.6949(3) 0.29751(16) 0.50012(11) 0.0676(9) Uani 1 1 d . . . . .
H13D H 0.749062 0.285739 0.485766 0.081 Uiso 1 1 calc R U . . .
P1 Sb 0.31128(2) 0.48914(2) 0.59256(2) 0.06587(9) Uani 1 1 d . . . . .
S1A S 0.60816(6) 0.06561(3) 0.61233(3) 0.05190(18) Uani 1 1 d . . . . .
N1A N 0.68940(17) 0.06395(11) 0.70077(8) 0.0532(6) Uani 1 1 d . . . . .
C1B C 0.4798(2) 0.21315(17) 0.73807(10) 0.0611(8) Uani 1 1 d . . . . .
C1C C 0.74977(18) 0.28213(12) 0.69494(9) 0.0435(6) Uani 1 1 d . . . . .
C1D C 0.5037(2) 0.16512(13) 0.53657(9) 0.0492(7) Uani 1 1 d . . . . .
F3 F 0.2104(2) 0.53888(17) 0.59182(16) 0.1654(16) Uani 1 1 d . . . . .
F4 F 0.2328(2) 0.42575(13) 0.60202(12) 0.1350(12) Uani 1 1 d . . . . .
F5 F 0.4131(2) 0.44106(15) 0.59344(16) 0.1623(16) Uani 1 1 d . . . . .
F6 F 0.3879(2) 0.55361(13) 0.58436(13) 0.1357(13) Uani 1 1 d . . . . .
C2B C 0.5064(3) 0.1960(2) 0.78034(14) 0.0889(14) Uani 1 1 d . . . . .
H2B H 0.511333 0.156215 0.787633 0.107 Uiso 1 1 calc R U . . .
C2C C 0.7303(2) 0.28658(14) 0.73925(10) 0.0548(7) Uani 1 1 d . . . . .
H2C H 0.718511 0.252682 0.755662 0.066 Uiso 1 1 calc R U . . .
C2D C 0.4286(2) 0.12723(15) 0.53073(12) 0.0650(9) Uani 1 1 d . . . . .
H2D H 0.373193 0.133898 0.545769 0.078 Uiso 1 1 calc R U . . .
C3B C 0.5256(3) 0.2398(3) 0.81155(13) 0.1042(19) Uani 1 1 d . . . . .
H3B H 0.545461 0.228903 0.839547 0.125 Uiso 1 1 calc R U . . .
C3C C 0.7281(2) 0.34113(16) 0.75917(11) 0.0628(8) Uani 1 1 d . . . . .
H3C H 0.713463 0.344370 0.788890 0.075 Uiso 1 1 calc R U . . .
C3D C 0.4364(3) 0.08030(17) 0.50291(14) 0.0787(11) Uani 1 1 d . . . . .
H3D H 0.386733 0.054362 0.499205 0.094 Uiso 1 1 calc R U . . .
C4B C 0.5157(3) 0.2977(3) 0.80151(16) 0.1047(17) Uani 1 1 d . . . . .
H4B H 0.527480 0.326327 0.822730 0.126 Uiso 1 1 calc R U . . .
C4C C 0.7477(2) 0.39041(15) 0.73513(12) 0.0663(9) Uani 1 1 d . . . . .
H4C H 0.746510 0.427209 0.748770 0.080 Uiso 1 1 calc R U . . .
C4D C 0.5176(3) 0.07164(15) 0.48053(13) 0.0786(11) Uani 1 1 d . . . . .
H4D H 0.522175 0.039903 0.461186 0.094 Uiso 1 1 calc R U . . .
C5B C 0.4886(3) 0.3138(2) 0.76072(13) 0.0814(12) Uani 1 1 d . . . . .
H5B H 0.480773 0.353772 0.754427 0.098 Uiso 1 1 calc R U . . .
C5C C 0.7691(2) 0.38687(13) 0.69104(11) 0.0607(8) Uani 1 1 d . . . . .
H5C H 0.783180 0.421012 0.675332 0.073 Uiso 1 1 calc R U . . .
C5D C 0.5936(3) 0.10896(14) 0.48584(11) 0.0650(9) Uani 1 1 d . . . . .
H5D H 0.648067 0.102247 0.470068 0.078 Uiso 1 1 calc R U . . .
C6B C 0.4720(2) 0.27247(16) 0.72792(11) 0.0584(8) Uani 1 1 d . . . . .
C6C C 0.76979(19) 0.33192(12) 0.66983(10) 0.0464(6) Uani 1 1 d . . . . .
C6D C 0.5879(2) 0.15654(12) 0.51492(9) 0.0470(6) Uani 1 1 d . . . . .
C7B C 0.4655(4) 0.35015(17) 0.67227(16) 0.0980(14) Uani 1 1 d . . . . .
H71B H 0.460110 0.354062 0.640911 0.147 Uiso 1 1 calc R U . . .
H72B H 0.527161 0.361226 0.681288 0.147 Uiso 1 1 calc R U . . .
H73B H 0.420837 0.375448 0.686353 0.147 Uiso 1 1 calc R U . . .
C7C C 0.7949(3) 0.38190(15) 0.59953(12) 0.0814(12) Uani 1 1 d . . . . .
H71C H 0.794571 0.373046 0.568622 0.122 Uiso 1 1 calc R U . . .
H72C H 0.851021 0.402795 0.606839 0.122 Uiso 1 1 calc R U . . .
H73C H 0.741953 0.406010 0.606598 0.122 Uiso 1 1 calc R U . . .
C7D C 0.7551(2) 0.17760(18) 0.50736(13) 0.0750(10) Uani 1 1 d . . . . .
H71D H 0.756190 0.178652 0.475773 0.113 Uiso 1 1 calc R U . . .
H72D H 0.768489 0.138209 0.517275 0.113 Uiso 1 1 calc R U . . .
H73D H 0.801100 0.204324 0.518751 0.113 Uiso 1 1 calc R U . . .
C8B C 0.3745(2) 0.25830(14) 0.66469(10) 0.0539(7) Uani 1 1 d . . . . .
C8C C 0.8457(2) 0.27922(12) 0.61061(9) 0.0460(6) Uani 1 1 d . . . . .
C8D C 0.6421(2) 0.25621(13) 0.52271(9) 0.0506(7) Uani 1 1 d . . . . .
C2A C 0.7861(3) 0.03174(14) 0.59022(13) 0.0699(10) Uani 1 1 d . . . . .
H2A H 0.765530 0.029351 0.561244 0.084 Uiso 1 1 calc R U . . .
C3A C 0.8790(3) 0.01973(16) 0.60100(19) 0.0846(13) Uani 1 1 d . . . . .
H3A H 0.920945 0.009460 0.578967 0.102 Uiso 1 1 calc R U . . .
C4A C 0.9083(3) 0.02299(18) 0.6436(2) 0.0887(14) Uani 1 1 d . . . . .
H4A H 0.970257 0.014973 0.650255 0.106 Uiso 1 1 calc R U . . .
C5A C 0.8481(2) 0.03789(15) 0.67694(15) 0.0730(10) Uani 1 1 d . . . . .
H5A H 0.869460 0.040017 0.705794 0.088 Uiso 1 1 calc R U . . .
C6A C 0.7548(2) 0.04982(12) 0.66758(11) 0.0537(7) Uani 1 1 d . . . . .
C7A C 0.7249(3) 0.08015(17) 0.74432(12) 0.0766(10) Uani 1 1 d . . . . .
H71A H 0.773820 0.108771 0.741175 0.115 Uiso 1 1 calc R U . . .
H72A H 0.748784 0.045580 0.758764 0.115 Uiso 1 1 calc R U . . .
H73A H 0.675347 0.096730 0.761585 0.115 Uiso 1 1 calc R U . . .
C8A C 0.6039(2) 0.03387(12) 0.69849(10) 0.0485(7) Uani 1 1 d . . . . .
C9A C 0.5585(2) 0.02978(12) 0.65844(10) 0.0490(7) Uani 1 1 d . . . . .
C10A C 0.4744(2) 0.00011(15) 0.65420(14) 0.0679(9) Uani 1 1 d . . . . .
H10A H 0.445610 -0.002626 0.626854 0.081 Uiso 1 1 calc R U . . .
C11A C 0.4341(3) -0.02504(17) 0.69032(17) 0.0812(12) Uani 1 1 d . . . . .
H11A H 0.377562 -0.044741 0.687705 0.097 Uiso 1 1 calc R U . . .
C12A C 0.4771(3) -0.02122(15) 0.73034(15) 0.0751(11) Uani 1 1 d . . . . .
H12A H 0.449084 -0.038314 0.754823 0.090 Uiso 1 1 calc R U . . .
C13A C 0.5615(3) 0.00751(14) 0.73518(12) 0.0623(9) Uani 1 1 d . . . . .
H13A H 0.589968 0.009373 0.762629 0.075 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S1C 2.5138(8) . ?
Ag1 S1D 2.5700(8) . ?
Ag1 S1B 2.6709(8) . ?
Ag1 S1A 2.7423(8) . ?
S1B C9B 1.766(3) . ?
S1B C1B 1.769(4) . ?
S1C C9C 1.768(3) . ?
S1C C1C 1.770(3) . ?
S1D C1D 1.761(3) . ?
S1D C9D 1.765(3) . ?
F1 P1 1.858(3) . ?
F2 P1 1.818(3) . ?
N1B C8B 1.398(4) . ?
N1B C6B 1.401(4) . ?
N1B C7B 1.467(4) . ?
N1C C8C 1.404(4) . ?
N1C C6C 1.409(4) . ?
N1C C7C 1.462(4) . ?
N1D C8D 1.408(4) . ?
N1D C6D 1.408(4) . ?
N1D C7D 1.468(4) . ?
C1A C6A 1.391(5) . ?
C1A C2A 1.395(4) . ?
C1A S1A 1.767(3) . ?
C9B C10B 1.374(5) . ?
C9B C8B 1.389(4) . ?
C9C C10C 1.386(4) . ?
C9C C8C 1.389(4) . ?
C9D C10D 1.389(4) . ?
C9D C8D 1.397(4) . ?
C10B C11B 1.363(7) . ?
C10B H10B 0.9300 . ?
C10C C11C 1.372(5) . ?
C10C H10C 0.9300 . ?
C10D C11D 1.392(6) . ?
C10D H10D 0.9300 . ?
C11B C12B 1.356(7) . ?
C11B H11B 0.9300 . ?
C11C C12C 1.367(5) . ?
C11C H11C 0.9300 . ?
C11D C12D 1.359(6) . ?
C11D H11D 0.9300 . ?
C12B C13B 1.376(7) . ?
C12B H12B 0.9300 . ?
C12C C13C 1.382(5) . ?
C12C H12C 0.9300 . ?
C12D C13D 1.369(6) . ?
C12D H12D 0.9300 . ?
C13B C8B 1.406(5) . ?
C13B H13B 0.9300 . ?
C13C C8C 1.401(4) . ?
C13C H13C 0.9300 . ?
C13D C8D 1.385(4) . ?
C13D H13D 0.9300 . ?
P1 F5 1.822(3) . ?
P1 F3 1.834(3) . ?
P1 F6 1.843(3) . ?
P1 F4 1.846(3) . ?
S1A C9A 1.769(3) . ?
N1A C8A 1.406(4) . ?
N1A C6A 1.415(4) . ?
N1A C7A 1.464(4) . ?
C1B C6B 1.381(5) . ?
C1B C2B 1.395(5) . ?
C1C C2C 1.379(4) . ?
C1C C6C 1.390(4) . ?
C1D C6D 1.389(4) . ?
C1D C2D 1.389(5) . ?
C2B C3B 1.397(7) . ?
C2B H2B 0.9300 . ?
C2C C3C 1.375(5) . ?
C2C H2C 0.9300 . ?
C2D C3D 1.361(5) . ?
C2D H2D 0.9300 . ?
C3B C4B 1.352(8) . ?
C3B H3B 0.9300 . ?
C3C C4C 1.362(5) . ?
C3C H3C 0.9300 . ?
C3D C4D 1.364(6) . ?
C3D H3D 0.9300 . ?
C4B C5B 1.349(7) . ?
C4B H4B 0.9300 . ?
C4C C5C 1.376(5) . ?
C4C H4C 0.9300 . ?
C4D C5D 1.389(5) . ?
C4D H4D 0.9300 . ?
C5B C6B 1.387(5) . ?
C5B H5B 0.9300 . ?
C5C C6C 1.400(4) . ?
C5C H5C 0.9300 . ?
C5D C6D 1.395(4) . ?
C5D H5D 0.9300 . ?
C7B H71B 0.9600 . ?
C7B H72B 0.9600 . ?
C7B H73B 0.9600 . ?
C7C H71C 0.9600 . ?
C7C H72C 0.9600 . ?
C7C H73C 0.9600 . ?
C7D H71D 0.9600 . ?
C7D H72D 0.9600 . ?
C7D H73D 0.9600 . ?
C2A C3A 1.400(6) . ?
C2A H2A 0.9300 . ?
C3A C4A 1.363(6) . ?
C3A H3A 0.9300 . ?
C4A C5A 1.373(6) . ?
C4A H4A 0.9300 . ?
C5A C6A 1.395(5) . ?
C5A H5A 0.9300 . ?
C7A H71A 0.9600 . ?
C7A H72A 0.9600 . ?
C7A H73A 0.9600 . ?
C8A C9A 1.383(4) . ?
C8A C13A 1.403(4) . ?
C9A C10A 1.387(4) . ?
C10A C11A 1.365(5) . ?
C10A H10A 0.9300 . ?
C11A C12A 1.366(6) . ?
C11A H11A 0.9300 . ?
C12A C13A 1.382(5) . ?
C12A H12A 0.9300 . ?
C13A H13A 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
S1C Ag1 S1D 132.62(3) . . ?
S1C Ag1 S1B 115.12(3) . . ?
S1D Ag1 S1B 99.63(3) . . ?
S1C Ag1 S1A 107.50(2) . . ?
S1D Ag1 S1A 100.87(3) . . ?
S1B Ag1 S1A 93.80(3) . . ?
C9B S1B C1B 98.15(15) . . ?
C9B S1B Ag1 97.80(10) . . ?
C1B S1B Ag1 103.84(11) . . ?
C9C S1C C1C 99.53(13) . . ?
C9C S1C Ag1 111.52(9) . . ?
C1C S1C Ag1 114.98(9) . . ?
C1D S1D C9D 97.68(14) . . ?
C1D S1D Ag1 99.64(9) . . ?
C9D S1D Ag1 108.80(11) . . ?
C8B N1B C6B 118.0(3) . . ?
C8B N1B C7B 118.7(3) . . ?
C6B N1B C7B 116.6(3) . . ?
C8C N1C C6C 118.6(2) . . ?
C8C N1C C7C 118.1(3) . . ?
C6C N1C C7C 116.7(3) . . ?
C8D N1D C6D 116.7(2) . . ?
C8D N1D C7D 117.0(3) . . ?
C6D N1D C7D 117.5(3) . . ?
C6A C1A C2A 121.3(3) . . ?
C6A C1A S1A 118.2(2) . . ?
C2A C1A S1A 120.5(3) . . ?
C10B C9B C8B 121.6(3) . . ?
C10B C9B S1B 120.5(3) . . ?
C8B C9B S1B 117.7(2) . . ?
C10C C9C C8C 121.6(3) . . ?
C10C C9C S1C 118.1(2) . . ?
C8C C9C S1C 120.2(2) . . ?
C10D C9D C8D 121.0(3) . . ?
C10D C9D S1D 120.2(3) . . ?
C8D C9D S1D 118.8(2) . . ?
C11B C10B C9B 120.2(5) . . ?
C11B C10B H10B 119.9 . . ?
C9B C10B H10B 119.9 . . ?
C11C C10C C9C 120.4(3) . . ?
C11C C10C H10C 119.8 . . ?
C9C C10C H10C 119.8 . . ?
C9D C10D C11D 119.1(4) . . ?
C9D C10D H10D 120.5 . . ?
C11D C10D H10D 120.5 . . ?
C12B C11B C10B 119.3(5) . . ?
C12B C11B H11B 120.4 . . ?
C10B C11B H11B 120.4 . . ?
C12C C11C C10C 118.9(3) . . ?
C12C C11C H11C 120.5 . . ?
C10C C11C H11C 120.5 . . ?
C12D C11D C10D 119.6(4) . . ?
C12D C11D H11D 120.2 . . ?
C10D C11D H11D 120.2 . . ?
C11B C12B C13B 122.2(4) . . ?
C11B C12B H12B 118.9 . . ?
C13B C12B H12B 118.9 . . ?
C11C C12C C13C 121.5(3) . . ?
C11C C12C H12C 119.3 . . ?
C13C C12C H12C 119.3 . . ?
C11D C12D C13D 121.7(4) . . ?
C11D C12D H12D 119.1 . . ?
C13D C12D H12D 119.1 . . ?
C12B C13B C8B 119.4(4) . . ?
C12B C13B H13B 120.3 . . ?
C8B C13B H13B 120.3 . . ?
C12C C13C C8C 120.5(3) . . ?
C12C C13C H13C 119.7 . . ?
C8C C13C H13C 119.7 . . ?
C12D C13D C8D 120.4(4) . . ?
C12D C13D H13D 119.8 . . ?
C8D C13D H13D 119.8 . . ?
F2 P1 F5 87.8(2) . . ?
F2 P1 F3 91.9(2) . . ?
F5 P1 F3 178.79(18) . . ?
F2 P1 F6 90.00(18) . . ?
F5 P1 F6 89.74(16) . . ?
F3 P1 F6 89.09(16) . . ?
F2 P1 F4 88.84(18) . . ?
F5 P1 F4 91.38(16) . . ?
F3 P1 F4 89.79(17) . . ?
F6 P1 F4 178.36(18) . . ?
F2 P1 F1 178.2(2) . . ?
F5 P1 F1 93.9(2) . . ?
F3 P1 F1 86.4(2) . . ?
F6 P1 F1 90.39(17) . . ?
F4 P1 F1 90.73(17) . . ?
C1A S1A C9A 96.73(14) . . ?
C1A S1A Ag1 103.78(10) . . ?
C9A S1A Ag1 100.83(10) . . ?
C8A N1A C6A 115.8(2) . . ?
C8A N1A C7A 118.0(3) . . ?
C6A N1A C7A 118.0(3) . . ?
C6B C1B C2B 119.8(4) . . ?
C6B C1B S1B 118.8(2) . . ?
C2B C1B S1B 121.3(3) . . ?
C2C C1C C6C 121.2(3) . . ?
C2C C1C S1C 119.0(2) . . ?
C6C C1C S1C 119.7(2) . . ?
C6D C1D C2D 121.9(3) . . ?
C6D C1D S1D 118.3(2) . . ?
C2D C1D S1D 119.7(3) . . ?
C1B C2B C3B 118.8(5) . . ?
C1B C2B H2B 120.6 . . ?
C3B C2B H2B 120.6 . . ?
C3C C2C C1C 120.0(3) . . ?
C3C C2C H2C 120.0 . . ?
C1C C2C H2C 120.0 . . ?
C3D C2D C1D 119.8(4) . . ?
C3D C2D H2D 120.1 . . ?
C1D C2D H2D 120.1 . . ?
C4B C3B C2B 120.8(4) . . ?
C4B C3B H3B 119.6 . . ?
C2B C3B H3B 119.6 . . ?
C4C C3C C2C 119.6(3) . . ?
C4C C3C H3C 120.2 . . ?
C2C C3C H3C 120.2 . . ?
C2D C3D C4D 119.4(4) . . ?
C2D C3D H3D 120.3 . . ?
C4D C3D H3D 120.3 . . ?
C5B C4B C3B 120.0(5) . . ?
C5B C4B H4B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C3C C4C C5C 121.4(3) . . ?
C3C C4C H4C 119.3 . . ?
C5C C4C H4C 119.3 . . ?
C3D C4D C5D 121.8(4) . . ?
C3D C4D H4D 119.1 . . ?
C5D C4D H4D 119.1 . . ?
C4B C5B C6B 121.7(5) . . ?
C4B C5B H5B 119.1 . . ?
C6B C5B H5B 119.1 . . ?
C4C C5C C6C 120.1(3) . . ?
C4C C5C H5C 120.0 . . ?
C6C C5C H5C 120.0 . . ?
C4D C5D C6D 119.8(3) . . ?
C4D C5D H5D 120.1 . . ?
C6D C5D H5D 120.1 . . ?
C1B C6B C5B 118.7(3) . . ?
C1B C6B N1B 118.8(3) . . ?
C5B C6B N1B 122.5(3) . . ?
C1C C6C C5C 117.7(3) . . ?
C1C C6C N1C 120.8(2) . . ?
C5C C6C N1C 121.4(3) . . ?
C1D C6D C5D 117.3(3) . . ?
C1D C6D N1D 119.5(3) . . ?
C5D C6D N1D 123.2(3) . . ?
N1B C7B H71B 109.5 . . ?
N1B C7B H72B 109.5 . . ?
H71B C7B H72B 109.5 . . ?
N1B C7B H73B 109.5 . . ?
H71B C7B H73B 109.5 . . ?
H72B C7B H73B 109.5 . . ?
N1C C7C H71C 109.5 . . ?
N1C C7C H72C 109.5 . . ?
H71C C7C H72C 109.5 . . ?
N1C C7C H73C 109.5 . . ?
H71C C7C H73C 109.5 . . ?
H72C C7C H73C 109.5 . . ?
N1D C7D H71D 109.5 . . ?
N1D C7D H72D 109.5 . . ?
H71D C7D H72D 109.5 . . ?
N1D C7D H73D 109.5 . . ?
H71D C7D H73D 109.5 . . ?
H72D C7D H73D 109.5 . . ?
C9B C8B N1B 119.8(3) . . ?
C9B C8B C13B 117.3(3) . . ?
N1B C8B C13B 122.9(3) . . ?
C9C C8C C13C 117.0(3) . . ?
C9C C8C N1C 120.5(3) . . ?
C13C C8C N1C 122.5(3) . . ?
C13D C8D C9D 118.2(3) . . ?
C13D C8D N1D 123.3(3) . . ?
C9D C8D N1D 118.5(3) . . ?
C1A C2A C3A 118.3(4) . . ?
C1A C2A H2A 120.9 . . ?
C3A C2A H2A 120.9 . . ?
C4A C3A C2A 120.4(4) . . ?
C4A C3A H3A 119.8 . . ?
C2A C3A H3A 119.8 . . ?
C3A C4A C5A 121.3(4) . . ?
C3A C4A H4A 119.4 . . ?
C5A C4A H4A 119.4 . . ?
C4A C5A C6A 120.1(4) . . ?
C4A C5A H5A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C1A C6A C5A 118.7(3) . . ?
C1A C6A N1A 119.0(3) . . ?
C5A C6A N1A 122.4(3) . . ?
N1A C7A H71A 109.5 . . ?
N1A C7A H72A 109.5 . . ?
H71A C7A H72A 109.5 . . ?
N1A C7A H73A 109.5 . . ?
H71A C7A H73A 109.5 . . ?
H72A C7A H73A 109.5 . . ?
C9A C8A C13A 117.8(3) . . ?
C9A C8A N1A 119.2(3) . . ?
C13A C8A N1A 123.1(3) . . ?
C8A C9A C10A 121.6(3) . . ?
C8A C9A S1A 118.4(2) . . ?
C10A C9A S1A 119.9(3) . . ?
C11A C10A C9A 119.7(4) . . ?
C11A C10A H10A 120.1 . . ?
C9A C10A H10A 120.1 . . ?
C10A C11A C12A 119.9(4) . . ?
C10A C11A H11A 120.1 . . ?
C12A C11A H11A 120.1 . . ?
C11A C12A C13A 121.3(3) . . ?
C11A C12A H12A 119.3 . . ?
C13A C12A H12A 119.3 . . ?
C12A C13A C8A 119.7(4) . . ?
C12A C13A H13A 120.1 . . ?
C8A C13A H13A 120.1 . . ?

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
C1B S1B C9B C10B -146.9(3) . . . . ?
Ag1 S1B C9B C10B 107.9(3) . . . . ?
C1B S1B C9B C8B 38.7(3) . . . . ?
Ag1 S1B C9B C8B -66.6(2) . . . . ?
C1C S1C C9C C10C 149.3(2) . . . . ?
Ag1 S1C C9C C10C -89.0(2) . . . . ?
C1C S1C C9C C8C -29.7(3) . . . . ?
Ag1 S1C C9C C8C 92.1(2) . . . . ?
C1D S1D C9D C10D 139.1(3) . . . . ?
Ag1 S1D C9D C10D -117.9(3) . . . . ?
C1D S1D C9D C8D -38.9(3) . . . . ?
Ag1 S1D C9D C8D 64.0(2) . . . . ?
C8B C9B C10B C11B 1.3(5) . . . . ?
S1B C9B C10B C11B -172.9(3) . . . . ?
C8C C9C C10C C11C 0.0(5) . . . . ?
S1C C9C C10C C11C -179.0(3) . . . . ?
C8D C9D C10D C11D -1.6(5) . . . . ?
S1D C9D C10D C11D -179.7(3) . . . . ?
C9B C10B C11B C12B -0.7(6) . . . . ?
C9C C10C C11C C12C 1.1(5) . . . . ?
C9D C10D C11D C12D -0.2(6) . . . . ?
C10B C11B C12B C13B -0.3(7) . . . . ?
C10C C11C C12C C13C -0.8(5) . . . . ?
C10D C11D C12D C13D 1.0(6) . . . . ?
C11B C12B C13B C8B 0.7(6) . . . . ?
C11C C12C C13C C8C -0.5(5) . . . . ?
C11D C12D C13D C8D 0.0(6) . . . . ?
C6A C1A S1A C9A -40.3(2) . . . . ?
C2A C1A S1A C9A 140.5(2) . . . . ?
C6A C1A S1A Ag1 62.6(2) . . . . ?
C2A C1A S1A Ag1 -116.5(2) . . . . ?
C9B S1B C1B C6B -36.8(3) . . . . ?
Ag1 S1B C1B C6B 63.3(3) . . . . ?
C9B S1B C1B C2B 145.4(3) . . . . ?
Ag1 S1B C1B C2B -114.4(3) . . . . ?
C9C S1C C1C C2C -149.6(2) . . . . ?
Ag1 S1C C1C C2C 91.2(2) . . . . ?
C9C S1C C1C C6C 30.9(2) . . . . ?
Ag1 S1C C1C C6C -88.3(2) . . . . ?
C9D S1D C1D C6D 37.9(2) . . . . ?
Ag1 S1D C1D C6D -72.7(2) . . . . ?
C9D S1D C1D C2D -145.0(2) . . . . ?
Ag1 S1D C1D C2D 104.3(2) . . . . ?
C6B C1B C2B C3B -0.7(5) . . . . ?
S1B C1B C2B C3B 177.1(3) . . . . ?
C6C C1C C2C C3C 1.6(4) . . . . ?
S1C C1C C2C C3C -177.9(2) . . . . ?
C6D C1D C2D C3D -0.4(5) . . . . ?
S1D C1D C2D C3D -177.3(3) . . . . ?
C1B C2B C3B C4B 2.2(6) . . . . ?
C1C C2C C3C C4C -1.6(5) . . . . ?
C1D C2D C3D C4D -1.1(5) . . . . ?
C2B C3B C4B C5B -1.2(7) . . . . ?
C2C C3C C4C C5C 0.4(5) . . . . ?
C2D C3D C4D C5D 1.1(6) . . . . ?
C3B C4B C5B C6B -1.3(7) . . . . ?
C3C C4C C5C C6C 1.0(5) . . . . ?
C3D C4D C5D C6D 0.4(5) . . . . ?
C2B C1B C6B C5B -1.7(5) . . . . ?
S1B C1B C6B C5B -179.5(2) . . . . ?
C2B C1B C6B N1B 178.2(3) . . . . ?
S1B C1B C6B N1B 0.4(4) . . . . ?
C4B C5B C6B C1B 2.8(5) . . . . ?
C4B C5B C6B N1B -177.2(4) . . . . ?
C8B N1B C6B C1B 45.5(4) . . . . ?
C7B N1B C6B C1B -163.4(3) . . . . ?
C8B N1B C6B C5B -134.6(3) . . . . ?
C7B N1B C6B C5B 16.6(5) . . . . ?
C2C C1C C6C C5C -0.2(4) . . . . ?
S1C C1C C6C C5C 179.2(2) . . . . ?
C2C C1C C6C N1C 179.3(3) . . . . ?
S1C C1C C6C N1C -1.2(4) . . . . ?
C4C C5C C6C C1C -1.0(5) . . . . ?
C4C C5C C6C N1C 179.4(3) . . . . ?
C8C N1C C6C C1C -39.3(4) . . . . ?
C7C N1C C6C C1C 169.8(3) . . . . ?
C8C N1C C6C C5C 140.3(3) . . . . ?
C7C N1C C6C C5C -10.7(4) . . . . ?
C2D C1D C6D C5D 1.7(4) . . . . ?
S1D C1D C6D C5D 178.7(2) . . . . ?
C2D C1D C6D N1D -178.1(3) . . . . ?
S1D C1D C6D N1D -1.2(3) . . . . ?
C4D C5D C6D C1D -1.7(4) . . . . ?
C4D C5D C6D N1D 178.2(3) . . . . ?
C8D N1D C6D C1D -46.5(4) . . . . ?
C7D N1D C6D C1D 166.9(3) . . . . ?
C8D N1D C6D C5D 133.6(3) . . . . ?
C7D N1D C6D C5D -13.0(4) . . . . ?
C10B C9B C8B N1B -179.1(3) . . . . ?
S1B C9B C8B N1B -4.7(4) . . . . ?
C10B C9B C8B C13B -0.9(4) . . . . ?
S1B C9B C8B C13B 173.4(2) . . . . ?
C6B N1B C8B C9B -43.2(4) . . . . ?
C7B N1B C8B C9B 166.3(3) . . . . ?
C6B N1B C8B C13B 138.8(3) . . . . ?
C7B N1B C8B C13B -11.8(5) . . . . ?
C12B C13B C8B C9B -0.1(5) . . . . ?
C12B C13B C8B N1B 178.1(3) . . . . ?
C10C C9C C8C C13C -1.3(4) . . . . ?
S1C C9C C8C C13C 177.6(2) . . . . ?
C10C C9C C8C N1C 179.6(3) . . . . ?
S1C C9C C8C N1C -1.5(4) . . . . ?
C12C C13C C8C C9C 1.6(5) . . . . ?
C12C C13C C8C N1C -179.3(3) . . . . ?
C6C N1C C8C C9C 40.7(4) . . . . ?
C7C N1C C8C C9C -168.8(3) . . . . ?
C6C N1C C8C C13C -138.4(3) . . . . ?
C7C N1C C8C C13C 12.2(5) . . . . ?
C12D C13D C8D C9D -1.8(5) . . . . ?
C12D C13D C8D N1D 175.9(3) . . . . ?
C10D C9D C8D C13D 2.6(5) . . . . ?
S1D C9D C8D C13D -179.3(2) . . . . ?
C10D C9D C8D N1D -175.2(3) . . . . ?
S1D C9D C8D N1D 2.9(4) . . . . ?
C6D N1D C8D C13D -132.4(3) . . . . ?
C7D N1D C8D C13D 14.3(4) . . . . ?
C6D N1D C8D C9D 45.2(4) . . . . ?
C7D N1D C8D C9D -168.0(3) . . . . ?
C6A C1A C2A C3A -1.4(5) . . . . ?
S1A C1A C2A C3A 177.8(2) . . . . ?
C1A C2A C3A C4A 0.4(5) . . . . ?
C2A C3A C4A C5A 0.2(6) . . . . ?
C3A C4A C5A C6A 0.2(6) . . . . ?
C2A C1A C6A C5A 1.8(4) . . . . ?
S1A C1A C6A C5A -177.4(2) . . . . ?
C2A C1A C6A N1A -177.8(3) . . . . ?
S1A C1A C6A N1A 3.0(3) . . . . ?
C4A C5A C6A C1A -1.2(5) . . . . ?
C4A C5A C6A N1A 178.4(3) . . . . ?
C8A N1A C6A C1A 46.3(3) . . . . ?
C7A N1A C6A C1A -165.7(3) . . . . ?
C8A N1A C6A C5A -133.3(3) . . . . ?
C7A N1A C6A C5A 14.7(4) . . . . ?
C6A N1A C8A C9A -46.4(3) . . . . ?
C7A N1A C8A C9A 165.5(3) . . . . ?
C6A N1A C8A C13A 133.7(3) . . . . ?
C7A N1A C8A C13A -14.4(4) . . . . ?
C13A C8A C9A C10A -0.8(4) . . . . ?
N1A C8A C9A C10A 179.3(3) . . . . ?
C13A C8A C9A S1A 177.1(2) . . . . ?
N1A C8A C9A S1A -2.8(4) . . . . ?
C1A S1A C9A C8A 40.4(2) . . . . ?
Ag1 S1A C9A C8A -65.1(2) . . . . ?
C1A S1A C9A C10A -141.7(3) . . . . ?
Ag1 S1A C9A C10A 112.9(2) . . . . ?
C8A C9A C10A C11A 1.0(5) . . . . ?
S1A C9A C10A C11A -176.9(3) . . . . ?
C9A C10A C11A C12A -0.5(6) . . . . ?
C10A C11A C12A C13A -0.3(6) . . . . ?
C11A C12A C13A C8A 0.6(5) . . . . ?
C9A C8A C13A C12A 0.0(4) . . . . ?
N1A C8A C13A C12A 179.9(3) . . . . ?

_refine_diff_density_max         0.757
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.058

####################################################################### 
# 
# 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_NS23-04_2626_oP_a
_database_code_depnum_ccdc_archive 'CCDC 2407303'
loop_
_audit_author_name
_audit_author_address
'Marko Rodic'
;University of Novi Sad
Serbia
;
_audit_update_record             
;
2026-01-16 deposited with the CCDC.	2026-01-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H44 Ag F6 N4 P S4'
_chemical_formula_sum            'C52 H44 Ag F6 N4 P S4'
_chemical_formula_weight         1105.99

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

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

_cell_length_a                   14.1327(2)
_cell_length_b                   22.4083(4)
_cell_length_c                   30.6416(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9703.9(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    15650
_cell_measurement_theta_min      2.2270
_cell_measurement_theta_max      28.5550

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_F_000             4512
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.644
_exptl_crystal_size_mid          0.510
_exptl_crystal_size_min          0.376
_exptl_absorpt_coefficient_mu    0.685
_shelx_estimated_absorpt_T_min   0.667
_shelx_estimated_absorpt_T_max   0.783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.86561
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022) 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 

Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Sapphire3
_diffrn_detector_area_resol_mean 16.3280
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Gemini S (Oxford Diffraction)'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -43.00  17.00   0.30   12.50    --  -16.00  77.00  30.00  200
  2  ω    -52.00  86.00   0.30   12.50    --   16.94   0.00-180.00  460
  3  ω    -83.00 -57.80   0.30   12.50    --  -16.00 -57.00-150.00   84
;
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0317864000
_diffrn_orient_matrix_UB_12      0.0214229000
_diffrn_orient_matrix_UB_13      -0.0087258000
_diffrn_orient_matrix_UB_21      0.0278774000
_diffrn_orient_matrix_UB_22      -0.0233000000
_diffrn_orient_matrix_UB_23      -0.0089334000
_diffrn_orient_matrix_UB_31      -0.0270228000
_diffrn_orient_matrix_UB_32      0.0011640000
_diffrn_orient_matrix_UB_33      -0.0194807000

_diffrn_reflns_number            42730
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.161
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9915
_reflns_number_gt                7825
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0416P)²+4.1048P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   geom
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00048(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9915
_refine_ls_number_parameters     673
_refine_ls_number_restraints     448
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0353
_refine_ls_wR_factor_ref         0.0927
_refine_ls_wR_factor_gt          0.0848
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.59206(2) 0.18410(2) 0.63544(2) 0.05310(8) Uani 1 1 d . . . . .
S1B S 0.45669(5) 0.16056(3) 0.69399(2) 0.06049(19) Uani 1 1 d . . . . .
S1C S 0.74711(4) 0.21172(3) 0.66956(2) 0.04510(14) Uani 1 1 d . . . . .
S1D S 0.48954(5) 0.22513(3) 0.57330(2) 0.05888(18) Uani 1 1 d . . . . .
N1B N 0.44272(17) 0.29018(10) 0.68280(7) 0.0563(5) Uani 1 1 d . . . . .
N1C N 0.78616(17) 0.32835(9) 0.62525(6) 0.0532(5) Uani 1 1 d . . . . .
N1D N 0.66188(15) 0.19964(10) 0.52303(7) 0.0526(5) Uani 1 1 d . . . . .
C1A C 0.73066(19) 0.04835(11) 0.62266(10) 0.0566(7) Uani 1 1 d . . . . .
C9B C 0.36313(18) 0.19743(12) 0.66688(8) 0.0535(6) Uani 1 1 d . . . . .
C9C C 0.83277(16) 0.22455(10) 0.62851(7) 0.0409(5) Uani 1 1 d . . . . .
C9D C 0.5557(2) 0.27870(11) 0.54409(7) 0.0546(6) Uani 1 1 d . . . . .
C10B C 0.2926(2) 0.16474(17) 0.64704(11) 0.0777(9) Uani 1 1 d . . . . .
H10B H 0.289935 0.123584 0.650732 0.093 Uiso 1 1 calc R U . . .
C10C C 0.88819(18) 0.17728(12) 0.61515(9) 0.0514(6) Uani 1 1 d . . . . .
H10C H 0.879216 0.139742 0.627415 0.062 Uiso 1 1 calc R U . . .
C10D C 0.5247(3) 0.33771(13) 0.54180(9) 0.0725(9) Uani 1 1 d . . . . .
H10D H 0.468728 0.349233 0.555355 0.087 Uiso 1 1 calc R U . . .
C11B C 0.2268(3) 0.1930(3) 0.62205(13) 0.1016(14) Uani 1 1 d . . . . .
H11B H 0.179689 0.170960 0.608303 0.122 Uiso 1 1 calc R U . . .
C11C C 0.9564(2) 0.18534(14) 0.58392(9) 0.0622(7) Uani 1 1 d . . . . .
H11C H 0.992812 0.153306 0.574394 0.075 Uiso 1 1 calc R U . . .
C11D C 0.5790(3) 0.37908(14) 0.51888(11) 0.0874(12) Uani 1 1 d . . . . .
H11D H 0.559701 0.418714 0.517424 0.105 Uiso 1 1 calc R U . . .
C12B C 0.2298(3) 0.2531(3) 0.61708(10) 0.0987(14) Uani 1 1 d . . . . .
H12B H 0.184603 0.271846 0.599776 0.118 Uiso 1 1 calc R U . . .
C12C C 0.9702(2) 0.24101(16) 0.56696(9) 0.0678(8) Uani 1 1 d . . . . .
H12C H 1.017163 0.246780 0.546107 0.081 Uiso 1 1 calc R U . . .
C12D C 0.6603(3) 0.36158(17) 0.49856(12) 0.0859(10) Uani 1 1 d . . . . .
H12D H 0.696243 0.389587 0.483490 0.103 Uiso 1 1 calc R U . . .
C13B C 0.2992(2) 0.28724(18) 0.63747(9) 0.0757(9) Uani 1 1 d . . . . .
H13B H 0.299580 0.328503 0.634217 0.091 Uiso 1 1 calc R U . . .
C13C C 0.9159(2) 0.28887(14) 0.58016(8) 0.0616(7) Uani 1 1 d . . . . .
H13C H 0.927122 0.326454 0.568383 0.074 Uiso 1 1 calc R U . . .
C13D C 0.6898(2) 0.30344(15) 0.50003(9) 0.0702(8) Uani 1 1 d . . . . .
H13D H 0.745069 0.292283 0.485755 0.084 Uiso 1 1 calc R U . . .
S1A S 0.61149(5) 0.06679(3) 0.61052(2) 0.05413(16) Uani 1 1 d . . . . .
N1A N 0.69328(16) 0.06373(9) 0.69869(7) 0.0557(5) Uani 1 1 d . . . . .
C1B C 0.47660(17) 0.21384(14) 0.73543(8) 0.0573(7) Uani 1 1 d . . . . .
C1C C 0.74794(15) 0.28255(10) 0.69491(7) 0.0420(5) Uani 1 1 d . . . . .
C1D C 0.50156(18) 0.16592(11) 0.53586(7) 0.0491(6) Uani 1 1 d . . . . .
C2B C 0.5038(2) 0.19628(19) 0.77728(10) 0.0849(11) Uani 1 1 d . . . . .
H2B H 0.509038 0.156034 0.784295 0.102 Uiso 1 1 calc R U . . .
C2C C 0.72977(17) 0.28629(12) 0.73914(8) 0.0528(6) Uani 1 1 d . . . . .
H2C H 0.719384 0.251819 0.755356 0.063 Uiso 1 1 calc R U . . .
C2D C 0.4270(2) 0.12647(14) 0.52975(10) 0.0663(8) Uani 1 1 d . . . . .
H2D H 0.370200 0.132251 0.544474 0.080 Uiso 1 1 calc R U . . .
C3B C 0.5232(2) 0.2402(3) 0.80855(11) 0.0998(15) Uani 1 1 d . . . . .
H3B H 0.543939 0.229172 0.836213 0.120 Uiso 1 1 calc R U . . .
C3C C 0.72714(19) 0.34159(14) 0.75917(9) 0.0615(7) Uani 1 1 d . . . . .
H3C H 0.713447 0.344486 0.788781 0.074 Uiso 1 1 calc R U . . .
C3D C 0.4373(3) 0.07923(15) 0.50212(12) 0.0814(10) Uani 1 1 d . . . . .
H3D H 0.388135 0.052129 0.498292 0.098 Uiso 1 1 calc R U . . .
C4B C 0.5120(3) 0.2985(3) 0.79864(12) 0.1001(14) Uani 1 1 d . . . . .
H4B H 0.523344 0.327307 0.819854 0.120 Uiso 1 1 calc R U . . .
C4C C 0.7446(2) 0.39168(13) 0.73549(10) 0.0641(7) Uani 1 1 d . . . . .
H4C H 0.743081 0.428743 0.749133 0.077 Uiso 1 1 calc R U . . .
C4D C 0.5208(3) 0.07215(13) 0.48005(11) 0.0803(10) Uani 1 1 d . . . . .
H4D H 0.527122 0.040536 0.460614 0.096 Uiso 1 1 calc R U . . .
C5B C 0.4843(2) 0.31553(17) 0.75823(10) 0.0766(9) Uani 1 1 d . . . . .
H5B H 0.476118 0.355897 0.752256 0.092 Uiso 1 1 calc R U . . .
C5C C 0.7646(2) 0.38829(12) 0.69142(9) 0.0603(7) Uani 1 1 d . . . . .
H5C H 0.777018 0.423005 0.675808 0.072 Uiso 1 1 calc R U . . .
C5D C 0.5961(2) 0.11098(13) 0.48599(9) 0.0643(8) Uani 1 1 d . . . . .
H5D H 0.652214 0.105042 0.470743 0.077 Uiso 1 1 calc R U . . .
C6B C 0.46779(18) 0.27379(13) 0.72543(8) 0.0539(6) Uani 1 1 d . . . . .
C6C C 0.76622(17) 0.33342(10) 0.67018(7) 0.0455(5) Uani 1 1 d . . . . .
C6D C 0.58782(18) 0.15894(11) 0.51479(8) 0.0485(6) Uani 1 1 d . . . . .
C7B C 0.4596(3) 0.35273(14) 0.67041(12) 0.0915(11) Uani 1 1 d . . . . .
H71B H 0.456087 0.356557 0.639245 0.137 Uiso 1 1 calc R U . . .
H72B H 0.521187 0.364759 0.680232 0.137 Uiso 1 1 calc R U . . .
H73B H 0.412427 0.377684 0.683666 0.137 Uiso 1 1 calc R U . . .
C7C C 0.7880(3) 0.38396(13) 0.60008(10) 0.0833(10) Uani 1 1 d . . . . .
H71C H 0.788261 0.374836 0.569467 0.125 Uiso 1 1 calc R U . . .
H72C H 0.843870 0.406177 0.607340 0.125 Uiso 1 1 calc R U . . .
H73C H 0.732962 0.407275 0.606940 0.125 Uiso 1 1 calc R U . . .
C7D C 0.7567(2) 0.18340(15) 0.50764(10) 0.0761(9) Uani 1 1 d . . . . .
H71D H 0.758386 0.185134 0.476348 0.114 Uiso 1 1 calc R U . . .
H72D H 0.771590 0.143638 0.517085 0.114 Uiso 1 1 calc R U . . .
H73D H 0.802283 0.210790 0.519424 0.114 Uiso 1 1 calc R U . . .
C8B C 0.36813(18) 0.25943(12) 0.66269(7) 0.0517(6) Uani 1 1 d . . . . .
C8C C 0.84408(17) 0.28140(11) 0.61107(7) 0.0453(5) Uani 1 1 d . . . . .
C8D C 0.63746(19) 0.26076(12) 0.52277(7) 0.0519(6) Uani 1 1 d . . . . .
C2A C 0.7927(2) 0.03308(12) 0.58938(12) 0.0760(9) Uani 1 1 d . . . . .
H2A H 0.772128 0.030819 0.560601 0.091 Uiso 1 1 calc R U . . .
C3A C 0.8867(3) 0.02123(14) 0.60014(17) 0.0912(12) Uani 1 1 d . . . . .
H3A H 0.929613 0.011435 0.578279 0.109 Uiso 1 1 calc R U . . .
C4A C 0.9164(3) 0.02390(16) 0.64285(18) 0.0958(13) Uani 1 1 d . . . . .
H4A H 0.979348 0.016055 0.649665 0.115 Uiso 1 1 calc R U . . .
C5A C 0.8541(2) 0.03801(13) 0.67525(13) 0.0789(9) Uani 1 1 d . . . . .
H5A H 0.875217 0.039486 0.703976 0.095 Uiso 1 1 calc R U . . .
C6A C 0.75962(19) 0.05023(11) 0.66617(10) 0.0568(7) Uani 1 1 d . . . . .
C7A C 0.7285(2) 0.07952(15) 0.74203(10) 0.0784(9) Uani 1 1 d . . . . .
H71A H 0.781061 0.106354 0.739213 0.118 Uiso 1 1 calc R U . . .
H72A H 0.748488 0.044046 0.756977 0.118 Uiso 1 1 calc R U . . .
H73A H 0.678958 0.098523 0.758370 0.118 Uiso 1 1 calc R U . . .
C8A C 0.60499(18) 0.03413(10) 0.69584(9) 0.0502(6) Uani 1 1 d . . . . .
C9A C 0.55968(18) 0.03063(10) 0.65595(9) 0.0505(6) Uani 1 1 d . . . . .
C10A C 0.4733(2) 0.00178(13) 0.65126(11) 0.0679(8) Uani 1 1 d . . . . .
H10A H 0.444552 -0.000482 0.624014 0.081 Uiso 1 1 calc R U . . .
C11A C 0.4306(2) -0.02345(15) 0.68711(14) 0.0813(10) Uani 1 1 d . . . . .
H11A H 0.372360 -0.042453 0.684348 0.098 Uiso 1 1 calc R U . . .
C12A C 0.4741(2) -0.02038(13) 0.72669(12) 0.0745(9) Uani 1 1 d . . . . .
H12A H 0.444927 -0.037572 0.750818 0.089 Uiso 1 1 calc R U . . .
C13A C 0.5610(2) 0.00780(12) 0.73199(10) 0.0638(7) Uani 1 1 d . . . . .
H13A H 0.589723 0.009148 0.759293 0.077 Uiso 1 1 calc R U . . .
P1_1 P 0.30663(6) 0.48661(4) 0.59059(4) 0.0830(3) Uani 0.581(13) 1 d D U P A 1
F1_1 F 0.3648(7) 0.5444(3) 0.5880(4) 0.152(4) Uani 0.581(13) 1 d D U P A 1
F2_1 F 0.2165(6) 0.5229(5) 0.5827(4) 0.160(4) Uani 0.581(13) 1 d D U P A 1
F3_1 F 0.2471(6) 0.4288(4) 0.5953(3) 0.158(4) Uani 0.581(13) 1 d D U P A 1
F4_1 F 0.3974(4) 0.4504(3) 0.6009(3) 0.133(3) Uani 0.581(13) 1 d D U P A 1
F5_1 F 0.3110(10) 0.4739(6) 0.5414(2) 0.190(5) Uani 0.581(13) 1 d D U P A 1
F6_1 F 0.2983(12) 0.4979(7) 0.6403(3) 0.189(5) Uani 0.581(13) 1 d D U P A 1
P1_2 P 0.30663(6) 0.48661(4) 0.59059(4) 0.0830(3) Uani 0.419(13) 1 d D U P A 2
F1_2 F 0.3715(13) 0.4350(7) 0.5815(6) 0.223(7) Uani 0.419(13) 1 d D U P A 2
F2_2 F 0.3821(7) 0.5335(6) 0.5773(5) 0.161(6) Uani 0.419(13) 1 d D U P A 2
F3_2 F 0.2327(10) 0.5364(5) 0.5998(6) 0.179(6) Uani 0.419(13) 1 d D U P A 2
F4_2 F 0.2292(8) 0.4420(5) 0.6042(5) 0.144(4) Uani 0.419(13) 1 d D U P A 2
F5_2 F 0.2739(12) 0.4892(6) 0.5414(3) 0.146(5) Uani 0.419(13) 1 d D U P A 2
F6_2 F 0.3357(15) 0.4886(9) 0.6388(3) 0.168(6) Uani 0.419(13) 1 d D U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S1C 2.5054(6) . ?
Ag1 S1D 2.5634(7) . ?
Ag1 S1B 2.6752(7) . ?
Ag1 S1A 2.7510(7) . ?
S1B C1B 1.766(3) . ?
S1B C9B 1.767(3) . ?
S1C C1C 1.767(2) . ?
S1C C9C 1.769(2) . ?
S1D C1D 1.762(3) . ?
S1D C9D 1.766(3) . ?
N1B C8B 1.402(3) . ?
N1B C6B 1.403(3) . ?
N1B C7B 1.472(4) . ?
N1C C8C 1.402(3) . ?
N1C C6C 1.410(3) . ?
N1C C7C 1.466(3) . ?
N1D C6D 1.411(3) . ?
N1D C8D 1.412(3) . ?
N1D C7D 1.467(3) . ?
C1A C2A 1.388(4) . ?
C1A C6A 1.395(4) . ?
C1A S1A 1.774(3) . ?
C9B C10B 1.378(4) . ?
C9B C8B 1.397(4) . ?
C9C C10C 1.379(3) . ?
C9C C8C 1.391(3) . ?
C9D C8D 1.386(4) . ?
C9D C10D 1.395(4) . ?
C10B C11B 1.360(6) . ?
C10B H10B 0.9300 . ?
C10C C11C 1.371(4) . ?
C10C H10C 0.9300 . ?
C10D C11D 1.393(5) . ?
C10D H10D 0.9300 . ?
C11B C12B 1.357(6) . ?
C11B H11B 0.9300 . ?
C11C C12C 1.365(4) . ?
C11C H11C 0.9300 . ?
C11D C12D 1.365(5) . ?
C11D H11D 0.9300 . ?
C12B C13B 1.393(5) . ?
C12B H12B 0.9300 . ?
C12C C13C 1.380(4) . ?
C12C H12C 0.9300 . ?
C12D C13D 1.369(5) . ?
C12D H12D 0.9300 . ?
C13B C8B 1.390(4) . ?
C13B H13B 0.9300 . ?
C13C C8C 1.398(4) . ?
C13C H13C 0.9300 . ?
C13D C8D 1.395(4) . ?
C13D H13D 0.9300 . ?
S1A C9A 1.769(3) . ?
N1A C6A 1.401(3) . ?
N1A C8A 1.416(3) . ?
N1A C7A 1.462(4) . ?
C1B C6B 1.384(4) . ?
C1B C2B 1.395(4) . ?
C1C C2C 1.382(3) . ?
C1C C6C 1.393(3) . ?
C1D C2D 1.388(4) . ?
C1D C6D 1.388(3) . ?
C2B C3B 1.401(6) . ?
C2B H2B 0.9300 . ?
C2C C3C 1.383(4) . ?
C2C H2C 0.9300 . ?
C2D C3D 1.363(5) . ?
C2D H2D 0.9300 . ?
C3B C4B 1.351(6) . ?
C3B H3B 0.9300 . ?
C3C C4C 1.359(4) . ?
C3C H3C 0.9300 . ?
C3D C4D 1.369(5) . ?
C3D H3D 0.9300 . ?
C4B C5B 1.353(5) . ?
C4B H4B 0.9300 . ?
C4C C5C 1.382(4) . ?
C4C H4C 0.9300 . ?
C4D C5D 1.387(5) . ?
C4D H4D 0.9300 . ?
C5B C6B 1.393(4) . ?
C5B H5B 0.9300 . ?
C5C C6C 1.391(3) . ?
C5C H5C 0.9300 . ?
C5D C6D 1.396(4) . ?
C5D H5D 0.9300 . ?
C7B H71B 0.9600 . ?
C7B H72B 0.9600 . ?
C7B H73B 0.9600 . ?
C7C H71C 0.9600 . ?
C7C H72C 0.9600 . ?
C7C H73C 0.9600 . ?
C7D H71D 0.9600 . ?
C7D H72D 0.9600 . ?
C7D H73D 0.9600 . ?
C2A C3A 1.394(5) . ?
C2A H2A 0.9300 . ?
C3A C4A 1.376(6) . ?
C3A H3A 0.9300 . ?
C4A C5A 1.364(5) . ?
C4A H4A 0.9300 . ?
C5A C6A 1.391(4) . ?
C5A H5A 0.9300 . ?
C7A H71A 0.9600 . ?
C7A H72A 0.9600 . ?
C7A H73A 0.9600 . ?
C8A C9A 1.382(4) . ?
C8A C13A 1.400(4) . ?
C9A C10A 1.389(4) . ?
C10A C11A 1.375(5) . ?
C10A H10A 0.9300 . ?
C11A C12A 1.362(5) . ?
C11A H11A 0.9300 . ?
C12A C13A 1.391(4) . ?
C12A H12A 0.9300 . ?
C13A H13A 0.9300 . ?
P1_1 F2_1 1.531(6) . ?
P1_1 F5_1 1.534(7) . ?
P1_1 F1_1 1.535(6) . ?
P1_1 F3_1 1.550(6) . ?
P1_1 F6_1 1.547(8) . ?
P1_1 F4_1 1.550(5) . ?
P1_2 F1_2 1.502(8) . ?
P1_2 F6_2 1.535(9) . ?
P1_2 F4_2 1.540(8) . ?
P1_2 F2_2 1.552(8) . ?
P1_2 F3_2 1.554(8) . ?
P1_2 F5_2 1.577(8) . ?

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
S1C Ag1 S1D 135.70(2) . . ?
S1C Ag1 S1B 113.23(2) . . ?
S1D Ag1 S1B 99.48(2) . . ?
S1C Ag1 S1A 105.34(2) . . ?
S1D Ag1 S1A 101.13(2) . . ?
S1B Ag1 S1A 93.96(2) . . ?
C1B S1B C9B 98.12(12) . . ?
C1B S1B Ag1 103.59(9) . . ?
C9B S1B Ag1 97.34(8) . . ?
C1C S1C C9C 99.33(11) . . ?
C1C S1C Ag1 114.28(8) . . ?
C9C S1C Ag1 110.00(7) . . ?
C1D S1D C9D 97.53(12) . . ?
C1D S1D Ag1 99.14(8) . . ?
C9D S1D Ag1 108.72(9) . . ?
C8B N1B C6B 118.1(2) . . ?
C8B N1B C7B 118.5(2) . . ?
C6B N1B C7B 116.7(2) . . ?
C8C N1C C6C 118.67(19) . . ?
C8C N1C C7C 117.7(2) . . ?
C6C N1C C7C 116.7(2) . . ?
C6D N1D C8D 116.4(2) . . ?
C6D N1D C7D 117.4(2) . . ?
C8D N1D C7D 117.5(2) . . ?
C2A C1A C6A 121.6(3) . . ?
C2A C1A S1A 120.2(3) . . ?
C6A C1A S1A 118.2(2) . . ?
C10B C9B C8B 121.6(3) . . ?
C10B C9B S1B 120.0(3) . . ?
C8B C9B S1B 118.1(2) . . ?
C10C C9C C8C 121.6(2) . . ?
C10C C9C S1C 118.34(18) . . ?
C8C C9C S1C 120.04(18) . . ?
C8D C9D C10D 120.9(3) . . ?
C8D C9D S1D 118.9(2) . . ?
C10D C9D S1D 120.2(2) . . ?
C11B C10B C9B 119.7(4) . . ?
C11B C10B H10B 120.2 . . ?
C9B C10B H10B 120.2 . . ?
C11C C10C C9C 120.4(3) . . ?
C11C C10C H10C 119.8 . . ?
C9C C10C H10C 119.8 . . ?
C11D C10D C9D 118.9(3) . . ?
C11D C10D H10D 120.6 . . ?
C9D C10D H10D 120.6 . . ?
C12B C11B C10B 120.3(4) . . ?
C12B C11B H11B 119.9 . . ?
C10B C11B H11B 119.9 . . ?
C12C C11C C10C 119.1(3) . . ?
C12C C11C H11C 120.4 . . ?
C10C C11C H11C 120.4 . . ?
C12D C11D C10D 120.2(3) . . ?
C12D C11D H11D 119.9 . . ?
C10D C11D H11D 119.9 . . ?
C11B C12B C13B 121.1(3) . . ?
C11B C12B H12B 119.4 . . ?
C13B C12B H12B 119.4 . . ?
C11C C12C C13C 121.3(3) . . ?
C11C C12C H12C 119.4 . . ?
C13C C12C H12C 119.4 . . ?
C11D C12D C13D 121.0(3) . . ?
C11D C12D H12D 119.5 . . ?
C13D C12D H12D 119.5 . . ?
C8B C13B C12B 119.8(4) . . ?
C8B C13B H13B 120.1 . . ?
C12B C13B H13B 120.1 . . ?
C12C C13C C8C 120.6(3) . . ?
C12C C13C H13C 119.7 . . ?
C8C C13C H13C 119.7 . . ?
C12D C13D C8D 120.5(3) . . ?
C12D C13D H13D 119.7 . . ?
C8D C13D H13D 119.7 . . ?
C9A S1A C1A 96.97(13) . . ?
C9A S1A Ag1 100.25(8) . . ?
C1A S1A Ag1 105.02(9) . . ?
C6A N1A C8A 116.4(2) . . ?
C6A N1A C7A 118.1(2) . . ?
C8A N1A C7A 118.0(2) . . ?
C6B C1B C2B 120.1(3) . . ?
C6B C1B S1B 118.88(19) . . ?
C2B C1B S1B 120.9(3) . . ?
C2C C1C C6C 121.2(2) . . ?
C2C C1C S1C 118.97(19) . . ?
C6C C1C S1C 119.80(17) . . ?
C2D C1D C6D 122.1(3) . . ?
C2D C1D S1D 119.6(2) . . ?
C6D C1D S1D 118.2(2) . . ?
C1B C2B C3B 119.0(4) . . ?
C1B C2B H2B 120.5 . . ?
C3B C2B H2B 120.5 . . ?
C1C C2C C3C 119.6(2) . . ?
C1C C2C H2C 120.2 . . ?
C3C C2C H2C 120.2 . . ?
C3D C2D C1D 119.8(3) . . ?
C3D C2D H2D 120.1 . . ?
C1D C2D H2D 120.1 . . ?
C4B C3B C2B 120.2(3) . . ?
C4B C3B H3B 119.9 . . ?
C2B C3B H3B 119.9 . . ?
C4C C3C C2C 119.9(2) . . ?
C4C C3C H3C 120.1 . . ?
C2C C3C H3C 120.1 . . ?
C2D C3D C4D 119.2(3) . . ?
C2D C3D H3D 120.4 . . ?
C4D C3D H3D 120.4 . . ?
C3B C4B C5B 120.8(4) . . ?
C3B C4B H4B 119.6 . . ?
C5B C4B H4B 119.6 . . ?
C3C C4C C5C 120.9(3) . . ?
C3C C4C H4C 119.6 . . ?
C5C C4C H4C 119.6 . . ?
C3D C4D C5D 121.6(3) . . ?
C3D C4D H4D 119.2 . . ?
C5D C4D H4D 119.2 . . ?
C4B C5B C6B 121.3(4) . . ?
C4B C5B H5B 119.4 . . ?
C6B C5B H5B 119.4 . . ?
C4C C5C C6C 120.6(3) . . ?
C4C C5C H5C 119.7 . . ?
C6C C5C H5C 119.7 . . ?
C4D C5D C6D 120.1(3) . . ?
C4D C5D H5D 119.9 . . ?
C6D C5D H5D 119.9 . . ?
C1B C6B C5B 118.5(3) . . ?
C1B C6B N1B 118.9(2) . . ?
C5B C6B N1B 122.6(3) . . ?
C5C C6C C1C 117.7(2) . . ?
C5C C6C N1C 122.1(2) . . ?
C1C C6C N1C 120.2(2) . . ?
C1D C6D C5D 117.0(3) . . ?
C1D C6D N1D 119.7(2) . . ?
C5D C6D N1D 123.3(2) . . ?
N1B C7B H71B 109.5 . . ?
N1B C7B H72B 109.5 . . ?
H71B C7B H72B 109.5 . . ?
N1B C7B H73B 109.5 . . ?
H71B C7B H73B 109.5 . . ?
H72B C7B H73B 109.5 . . ?
N1C C7C H71C 109.5 . . ?
N1C C7C H72C 109.5 . . ?
H71C C7C H72C 109.5 . . ?
N1C C7C H73C 109.5 . . ?
H71C C7C H73C 109.5 . . ?
H72C C7C H73C 109.5 . . ?
N1D C7D H71D 109.5 . . ?
N1D C7D H72D 109.5 . . ?
H71D C7D H72D 109.5 . . ?
N1D C7D H73D 109.5 . . ?
H71D C7D H73D 109.5 . . ?
H72D C7D H73D 109.5 . . ?
C13B C8B C9B 117.5(3) . . ?
C13B C8B N1B 123.4(3) . . ?
C9B C8B N1B 119.1(2) . . ?
C9C C8C C13C 117.0(2) . . ?
C9C C8C N1C 120.1(2) . . ?
C13C C8C N1C 123.0(2) . . ?
C9D C8D C13D 118.5(3) . . ?
C9D C8D N1D 118.8(2) . . ?
C13D C8D N1D 122.6(3) . . ?
C1A C2A C3A 118.4(4) . . ?
C1A C2A H2A 120.8 . . ?
C3A C2A H2A 120.8 . . ?
C4A C3A C2A 120.5(3) . . ?
C4A C3A H3A 119.7 . . ?
C2A C3A H3A 119.7 . . ?
C5A C4A C3A 120.3(4) . . ?
C5A C4A H4A 119.8 . . ?
C3A C4A H4A 119.8 . . ?
C4A C5A C6A 121.3(4) . . ?
C4A C5A H5A 119.3 . . ?
C6A C5A H5A 119.3 . . ?
C5A C6A C1A 117.8(3) . . ?
C5A C6A N1A 122.9(3) . . ?
C1A C6A N1A 119.3(2) . . ?
N1A C7A H71A 109.5 . . ?
N1A C7A H72A 109.5 . . ?
H71A C7A H72A 109.5 . . ?
N1A C7A H73A 109.5 . . ?
H71A C7A H73A 109.5 . . ?
H72A C7A H73A 109.5 . . ?
C9A C8A C13A 118.1(3) . . ?
C9A C8A N1A 119.3(2) . . ?
C13A C8A N1A 122.6(3) . . ?
C8A C9A C10A 121.7(3) . . ?
C8A C9A S1A 118.6(2) . . ?
C10A C9A S1A 119.7(2) . . ?
C11A C10A C9A 119.7(3) . . ?
C11A C10A H10A 120.2 . . ?
C9A C10A H10A 120.2 . . ?
C12A C11A C10A 119.5(3) . . ?
C12A C11A H11A 120.3 . . ?
C10A C11A H11A 120.3 . . ?
C11A C12A C13A 121.7(3) . . ?
C11A C12A H12A 119.1 . . ?
C13A C12A H12A 119.1 . . ?
C12A C13A C8A 119.4(3) . . ?
C12A C13A H13A 120.3 . . ?
C8A C13A H13A 120.3 . . ?
F2_1 P1_1 F5_1 88.6(5) . . ?
F2_1 P1_1 F1_1 89.4(5) . . ?
F5_1 P1_1 F1_1 94.8(7) . . ?
F2_1 P1_1 F3_1 90.4(5) . . ?
F5_1 P1_1 F3_1 87.6(6) . . ?
F1_1 P1_1 F3_1 177.6(6) . . ?
F2_1 P1_1 F6_1 90.3(6) . . ?
F5_1 P1_1 F6_1 177.6(8) . . ?
F1_1 P1_1 F6_1 87.3(7) . . ?
F3_1 P1_1 F6_1 90.3(7) . . ?
F2_1 P1_1 F4_1 177.3(6) . . ?
F5_1 P1_1 F4_1 94.0(6) . . ?
F1_1 P1_1 F4_1 90.5(4) . . ?
F3_1 P1_1 F4_1 89.6(4) . . ?
F6_1 P1_1 F4_1 87.0(6) . . ?
F1_2 P1_2 F6_2 92.2(8) . . ?
F1_2 P1_2 F4_2 89.1(7) . . ?
F6_2 P1_2 F4_2 87.0(8) . . ?
F1_2 P1_2 F2_2 93.1(8) . . ?
F6_2 P1_2 F2_2 92.8(8) . . ?
F4_2 P1_2 F2_2 177.9(7) . . ?
F1_2 P1_2 F3_2 175.3(9) . . ?
F6_2 P1_2 F3_2 89.1(8) . . ?
F4_2 P1_2 F3_2 86.5(7) . . ?
F2_2 P1_2 F3_2 91.4(8) . . ?
F1_2 P1_2 F5_2 91.7(8) . . ?
F6_2 P1_2 F5_2 175.9(9) . . ?
F4_2 P1_2 F5_2 94.3(7) . . ?
F2_2 P1_2 F5_2 85.8(7) . . ?
F3_2 P1_2 F5_2 87.2(7) . . ?

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
C1B S1B C9B C10B -147.3(2) . . . . ?
Ag1 S1B C9B C10B 107.8(2) . . . . ?
C1B S1B C9B C8B 38.8(2) . . . . ?
Ag1 S1B C9B C8B -66.14(19) . . . . ?
C1C S1C C9C C10C 148.35(19) . . . . ?
Ag1 S1C C9C C10C -91.44(19) . . . . ?
C1C S1C C9C C8C -30.5(2) . . . . ?
Ag1 S1C C9C C8C 89.66(18) . . . . ?
C1D S1D C9D C8D -39.6(2) . . . . ?
Ag1 S1D C9D C8D 62.7(2) . . . . ?
C1D S1D C9D C10D 138.9(2) . . . . ?
Ag1 S1D C9D C10D -118.7(2) . . . . ?
C8B C9B C10B C11B 1.2(4) . . . . ?
S1B C9B C10B C11B -172.5(2) . . . . ?
C8C C9C C10C C11C -0.1(4) . . . . ?
S1C C9C C10C C11C -179.0(2) . . . . ?
C8D C9D C10D C11D -2.1(4) . . . . ?
S1D C9D C10D C11D 179.4(2) . . . . ?
C9B C10B C11B C12B -0.9(5) . . . . ?
C9C C10C C11C C12C 1.5(4) . . . . ?
C9D C10D C11D C12D 1.0(5) . . . . ?
C10B C11B C12B C13B -0.3(6) . . . . ?
C10C C11C C12C C13C -1.1(4) . . . . ?
C10D C11D C12D C13D 0.4(5) . . . . ?
C11B C12B C13B C8B 1.3(5) . . . . ?
C11C C12C C13C C8C -0.8(4) . . . . ?
C11D C12D C13D C8D -0.6(5) . . . . ?
C2A C1A S1A C9A 140.9(2) . . . . ?
C6A C1A S1A C9A -39.7(2) . . . . ?
C2A C1A S1A Ag1 -116.5(2) . . . . ?
C6A C1A S1A Ag1 63.0(2) . . . . ?
C9B S1B C1B C6B -36.8(2) . . . . ?
Ag1 S1B C1B C6B 62.8(2) . . . . ?
C9B S1B C1B C2B 145.3(2) . . . . ?
Ag1 S1B C1B C2B -115.1(2) . . . . ?
C9C S1C C1C C2C -148.48(19) . . . . ?
Ag1 S1C C1C C2C 94.50(19) . . . . ?
C9C S1C C1C C6C 31.9(2) . . . . ?
Ag1 S1C C1C C6C -85.15(19) . . . . ?
C9D S1D C1D C2D -144.6(2) . . . . ?
Ag1 S1D C1D C2D 105.01(19) . . . . ?
C9D S1D C1D C6D 38.2(2) . . . . ?
Ag1 S1D C1D C6D -72.19(18) . . . . ?
C6B C1B C2B C3B -0.9(4) . . . . ?
S1B C1B C2B C3B 177.0(2) . . . . ?
C6C C1C C2C C3C 1.7(4) . . . . ?
S1C C1C C2C C3C -177.90(19) . . . . ?
C6D C1D C2D C3D -0.3(4) . . . . ?
S1D C1D C2D C3D -177.4(2) . . . . ?
C1B C2B C3B C4B 2.6(5) . . . . ?
C1C C2C C3C C4C -1.6(4) . . . . ?
C1D C2D C3D C4D -1.3(4) . . . . ?
C2B C3B C4B C5B -1.7(5) . . . . ?
C2C C3C C4C C5C 0.3(4) . . . . ?
C2D C3D C4D C5D 1.7(5) . . . . ?
C3B C4B C5B C6B -0.9(5) . . . . ?
C3C C4C C5C C6C 0.7(4) . . . . ?
C3D C4D C5D C6D -0.4(4) . . . . ?
C2B C1B C6B C5B -1.6(4) . . . . ?
S1B C1B C6B C5B -179.5(2) . . . . ?
C2B C1B C6B N1B 178.3(2) . . . . ?
S1B C1B C6B N1B 0.4(3) . . . . ?
C4B C5B C6B C1B 2.6(4) . . . . ?
C4B C5B C6B N1B -177.4(3) . . . . ?
C8B N1B C6B C1B 45.7(3) . . . . ?
C7B N1B C6B C1B -163.6(3) . . . . ?
C8B N1B C6B C5B -134.3(3) . . . . ?
C7B N1B C6B C5B 16.4(4) . . . . ?
C4C C5C C6C C1C -0.5(4) . . . . ?
C4C C5C C6C N1C 179.9(2) . . . . ?
C2C C1C C6C C5C -0.7(3) . . . . ?
S1C C1C C6C C5C 178.95(19) . . . . ?
C2C C1C C6C N1C 178.9(2) . . . . ?
S1C C1C C6C N1C -1.5(3) . . . . ?
C8C N1C C6C C5C 139.2(3) . . . . ?
C7C N1C C6C C5C -10.9(4) . . . . ?
C8C N1C C6C C1C -40.3(3) . . . . ?
C7C N1C C6C C1C 169.5(3) . . . . ?
C2D C1D C6D C5D 1.6(3) . . . . ?
S1D C1D C6D C5D 178.73(18) . . . . ?
C2D C1D C6D N1D -178.5(2) . . . . ?
S1D C1D C6D N1D -1.4(3) . . . . ?
C4D C5D C6D C1D -1.2(4) . . . . ?
C4D C5D C6D N1D 178.9(2) . . . . ?
C8D N1D C6D C1D -45.9(3) . . . . ?
C7D N1D C6D C1D 167.1(2) . . . . ?
C8D N1D C6D C5D 133.9(2) . . . . ?
C7D N1D C6D C5D -13.0(3) . . . . ?
C12B C13B C8B C9B -0.9(4) . . . . ?
C12B C13B C8B N1B 177.3(2) . . . . ?
C10B C9B C8B C13B -0.3(4) . . . . ?
S1B C9B C8B C13B 173.53(19) . . . . ?
C10B C9B C8B N1B -178.6(2) . . . . ?
S1B C9B C8B N1B -4.7(3) . . . . ?
C6B N1B C8B C13B 138.6(3) . . . . ?
C7B N1B C8B C13B -11.5(4) . . . . ?
C6B N1B C8B C9B -43.2(3) . . . . ?
C7B N1B C8B C9B 166.6(2) . . . . ?
C10C C9C C8C C13C -1.6(3) . . . . ?
S1C C9C C8C C13C 177.25(18) . . . . ?
C10C C9C C8C N1C 179.7(2) . . . . ?
S1C C9C C8C N1C -1.5(3) . . . . ?
C12C C13C C8C C9C 2.0(4) . . . . ?
C12C C13C C8C N1C -179.3(2) . . . . ?
C6C N1C C8C C9C 41.9(3) . . . . ?
C7C N1C C8C C9C -168.2(2) . . . . ?
C6C N1C C8C C13C -136.7(2) . . . . ?
C7C N1C C8C C13C 13.1(4) . . . . ?
C10D C9D C8D C13D 1.9(4) . . . . ?
S1D C9D C8D C13D -179.54(19) . . . . ?
C10D C9D C8D N1D -174.8(2) . . . . ?
S1D C9D C8D N1D 3.7(3) . . . . ?
C12D C13D C8D C9D -0.6(4) . . . . ?
C12D C13D C8D N1D 176.1(3) . . . . ?
C6D N1D C8D C9D 44.4(3) . . . . ?
C7D N1D C8D C9D -168.7(2) . . . . ?
C6D N1D C8D C13D -132.2(3) . . . . ?
C7D N1D C8D C13D 14.7(4) . . . . ?
C6A C1A C2A C3A -1.9(4) . . . . ?
S1A C1A C2A C3A 177.5(2) . . . . ?
C1A C2A C3A C4A 0.8(5) . . . . ?
C2A C3A C4A C5A 0.2(5) . . . . ?
C3A C4A C5A C6A -0.3(5) . . . . ?
C4A C5A C6A C1A -0.8(4) . . . . ?
C4A C5A C6A N1A 178.7(3) . . . . ?
C2A C1A C6A C5A 1.9(4) . . . . ?
S1A C1A C6A C5A -177.5(2) . . . . ?
C2A C1A C6A N1A -177.6(2) . . . . ?
S1A C1A C6A N1A 3.0(3) . . . . ?
C8A N1A C6A C5A -134.2(3) . . . . ?
C7A N1A C6A C5A 15.0(4) . . . . ?
C8A N1A C6A C1A 45.3(3) . . . . ?
C7A N1A C6A C1A -165.5(2) . . . . ?
C6A N1A C8A C9A -45.4(3) . . . . ?
C7A N1A C8A C9A 165.4(2) . . . . ?
C6A N1A C8A C13A 134.5(3) . . . . ?
C7A N1A C8A C13A -14.7(4) . . . . ?
C13A C8A C9A C10A -0.3(4) . . . . ?
N1A C8A C9A C10A 179.5(2) . . . . ?
C13A C8A C9A S1A 176.97(18) . . . . ?
N1A C8A C9A S1A -3.2(3) . . . . ?
C1A S1A C9A C8A 39.8(2) . . . . ?
Ag1 S1A C9A C8A -66.9(2) . . . . ?
C1A S1A C9A C10A -142.9(2) . . . . ?
Ag1 S1A C9A C10A 110.4(2) . . . . ?
C8A C9A C10A C11A 0.9(4) . . . . ?
S1A C9A C10A C11A -176.4(2) . . . . ?
C9A C10A C11A C12A -0.8(5) . . . . ?
C10A C11A C12A C13A 0.1(5) . . . . ?
C11A C12A C13A C8A 0.4(4) . . . . ?
C9A C8A C13A C12A -0.3(4) . . . . ?
N1A C8A C13A C12A 179.8(2) . . . . ?

_refine_diff_density_max         0.633
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.047

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2483173'
loop_
_audit_author_name
_audit_author_address
'Marko Rodic'
;University of Novi Sad
Serbia
;
_audit_update_record             
;
2026-01-16 deposited with the CCDC.	2026-01-21 downloaded from the CCDC.
;
#exp_code: data_DA-185_2530_s3_a 

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C53 H44.67 Ag F3 N4 O3.33 S5'
_chemical_formula_weight         1116.09

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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.1078(2)
_cell_length_b                   12.8639(2)
_cell_length_c                   16.6110(4)
_cell_angle_alpha                78.6520(17)
_cell_angle_beta                 76.3114(17)
_cell_angle_gamma                87.9851(14)
_cell_volume                     2464.41(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    46307
_cell_measurement_theta_min      2.7090
_cell_measurement_theta_max      26.3930

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_F_000             1143
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.862
_exptl_crystal_size_mid          0.618
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.682
_shelx_estimated_absorpt_T_min   0.591
_shelx_estimated_absorpt_T_max   0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.86328
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022) 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.3280
_diffrn_reflns_number            103061
_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.251
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10084
_reflns_number_gt                8510
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0529P)²+1.8222P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10084
_refine_ls_number_parameters     731
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.1064
_refine_ls_wR_factor_gt          0.0999
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.30790(2) 0.25341(2) 0.28377(2) 0.05420(8) Uani 1 1 d D . . . .
S1A S 0.46453(6) 0.14338(5) 0.34337(5) 0.05401(17) Uani 1 1 d . . . . .
S1B S 0.1282(8) 0.1368(10) 0.3418(7) 0.0560(8) Uani 0.433(15) 1 d D . P A 1
S1C S 0.28409(6) 0.41287(6) 0.37942(5) 0.05407(17) Uani 1 1 d . . . . .
S1D S 0.38509(6) 0.37724(5) 0.14426(4) 0.04904(16) Uani 1 1 d . . . . .
N1A N 0.3381(2) -0.04802(19) 0.33831(16) 0.0583(6) Uani 1 1 d . . . . .
N1B N 0.030(2) 0.3457(10) 0.3088(9) 0.058(3) Uani 0.433(15) 1 d D . P A 1
N1C N 0.5359(2) 0.4037(2) 0.34035(16) 0.0572(6) Uani 1 1 d . . . . .
N1D N 0.3346(2) 0.18822(17) 0.08626(15) 0.0533(5) Uani 1 1 d . . . . .
C1A C 0.3810(2) 0.0587(2) 0.43217(18) 0.0556(7) Uani 1 1 d . . . . .
C1C C 0.3676(2) 0.3849(2) 0.45493(17) 0.0514(6) Uani 1 1 d . . . . .
C1D C 0.4890(2) 0.2986(2) 0.09100(16) 0.0478(6) Uani 1 1 d . . . . .
C2A C 0.3676(3) 0.0828(3) 0.5117(2) 0.0738(9) Uani 1 1 d . . . . .
H2A H 0.407787 0.139222 0.518952 0.089 Uiso 1 1 calc R U . . .
C2C C 0.3148(3) 0.3624(3) 0.5403(2) 0.0700(9) Uani 1 1 d . . . . .
H2C H 0.236101 0.365947 0.557592 0.084 Uiso 1 1 calc R U . . .
C2D C 0.6027(3) 0.3265(3) 0.07131(18) 0.0591(7) Uani 1 1 d . . . . .
H2D H 0.625242 0.387733 0.085163 0.071 Uiso 1 1 calc R U . . .
C3A C 0.2942(4) 0.0222(4) 0.5802(2) 0.0935(14) Uani 1 1 d . . . . .
H3A H 0.282498 0.039385 0.633365 0.112 Uiso 1 1 calc R U . . .
C3C C 0.3793(4) 0.3346(3) 0.5996(2) 0.0852(11) Uani 1 1 d . . . . .
H3C H 0.344358 0.318186 0.656818 0.102 Uiso 1 1 calc R U . . .
C3D C 0.6828(3) 0.2630(3) 0.0309(2) 0.0683(9) Uani 1 1 d . . . . .
H3D H 0.759684 0.280511 0.018235 0.082 Uiso 1 1 calc R U . . .
C4A C 0.2387(4) -0.0632(4) 0.5693(3) 0.0926(13) Uani 1 1 d . . . . .
H4A H 0.190012 -0.104215 0.615601 0.111 Uiso 1 1 calc R U . . .
C4C C 0.4935(4) 0.3317(3) 0.5734(3) 0.0894(12) Uani 1 1 d . . . . .
H4C H 0.536657 0.313183 0.613445 0.107 Uiso 1 1 calc R U . . .
C4D C 0.6479(3) 0.1740(3) 0.0098(2) 0.0680(9) Uani 1 1 d . . . . .
H4D H 0.701938 0.131082 -0.017077 0.082 Uiso 1 1 calc R U . . .
C5A C 0.2537(3) -0.0893(3) 0.4910(2) 0.0773(10) Uani 1 1 d . . . . .
H5A H 0.216810 -0.148571 0.485232 0.093 Uiso 1 1 calc R U . . .
C5C C 0.5483(3) 0.3555(3) 0.4888(2) 0.0739(9) Uani 1 1 d . . . . .
H5C H 0.627232 0.354102 0.472713 0.089 Uiso 1 1 calc R U . . .
C5D C 0.5347(3) 0.1469(2) 0.02739(19) 0.0623(8) Uani 1 1 d . . . . .
H5D H 0.512887 0.086499 0.011839 0.075 Uiso 1 1 calc R U . . .
C6A C 0.3243(2) -0.0271(2) 0.42004(19) 0.0561(7) Uani 1 1 d . . . . .
C6B C 0.0185(15) 0.3065(16) 0.3965(7) 0.057(5) Uani 0.433(15) 1 d DG . P A 1
C5B C -0.0326(14) 0.3649(11) 0.4571(10) 0.074(4) Uani 0.433(15) 1 d G . P A 1
H5B H -0.063451 0.430715 0.440840 0.088 Uiso 0.433(15) 1 calc R U P A 1
C4B C -0.0377(14) 0.3249(12) 0.5420(9) 0.109(5) Uani 0.433(15) 1 d G . P A 1
H4B H -0.071931 0.363967 0.582509 0.131 Uiso 0.433(15) 1 calc R U P A 1
C3B C 0.0084(14) 0.2265(13) 0.5662(7) 0.098(4) Uani 0.433(15) 1 d G . P A 1
H3B H 0.004961 0.199715 0.623003 0.118 Uiso 0.433(15) 1 calc R U P A 1
C2B C 0.0595(14) 0.1681(12) 0.5056(10) 0.078(4) Uani 0.433(15) 1 d G . P A 1
H2B H 0.090334 0.102211 0.521829 0.093 Uiso 0.433(15) 1 calc R U P A 1
C1B C 0.0646(16) 0.2080(16) 0.4207(9) 0.057(4) Uani 0.433(15) 1 d DG . P A 1
C6C C 0.4851(2) 0.3816(2) 0.42765(18) 0.0536(6) Uani 1 1 d . . . . .
C6D C 0.4525(2) 0.2093(2) 0.06840(16) 0.0480(6) Uani 1 1 d . . . . .
C7A C 0.2602(3) -0.1243(3) 0.3250(3) 0.0800(10) Uani 1 1 d . . . . .
H7AA H 0.266209 -0.118016 0.265543 0.120 Uiso 1 1 calc R U . . .
H7AB H 0.183634 -0.109872 0.352302 0.120 Uiso 1 1 calc R U . . .
H7AC H 0.279747 -0.194902 0.348364 0.120 Uiso 1 1 calc R U . . .
C7B C 0.000(3) 0.4566(15) 0.2846(12) 0.096(6) Uani 0.433(15) 1 d D . P A 1
H7BA H -0.081203 0.463670 0.301020 0.144 Uiso 0.433(15) 1 calc R U P A 1
H7BB H 0.025182 0.479111 0.224513 0.144 Uiso 0.433(15) 1 calc R U P A 1
H7BC H 0.035570 0.499867 0.312333 0.144 Uiso 0.433(15) 1 calc R U P A 1
C7C C 0.6539(3) 0.3729(4) 0.3136(3) 0.0908(12) Uani 1 1 d . . . . .
H7CA H 0.670665 0.369188 0.254746 0.136 Uiso 1 1 calc R U . . .
H7CB H 0.665694 0.304769 0.346080 0.136 Uiso 1 1 calc R U . . .
H7CC H 0.703184 0.424460 0.322191 0.136 Uiso 1 1 calc R U . . .
C7D C 0.3001(3) 0.0831(2) 0.0786(2) 0.0737(9) Uani 1 1 d . . . . .
H7DA H 0.321143 0.076382 0.020394 0.111 Uiso 1 1 calc R U . . .
H7DB H 0.219270 0.074532 0.099093 0.111 Uiso 1 1 calc R U . . .
H7DC H 0.337448 0.029443 0.111299 0.111 Uiso 1 1 calc R U . . .
C8A C 0.4479(2) -0.0375(2) 0.28439(17) 0.0503(6) Uani 1 1 d . . . . .
C8C C 0.4936(3) 0.4866(2) 0.28728(17) 0.0539(7) Uani 1 1 d . . . . .
C8D C 0.2672(2) 0.2755(2) 0.06168(17) 0.0501(6) Uani 1 1 d . . . . .
C9A C 0.4917(3) -0.1108(2) 0.2337(2) 0.0655(8) Uani 1 1 d . . . . .
H9A H 0.448032 -0.169430 0.235040 0.079 Uiso 1 1 calc R U . . .
C9C C 0.5634(4) 0.5513(3) 0.2179(2) 0.0775(10) Uani 1 1 d . . . . .
H9C H 0.641752 0.542607 0.206501 0.093 Uiso 1 1 calc R U . . .
C9D C 0.1877(3) 0.2720(3) 0.0146(2) 0.0658(8) Uani 1 1 d . . . . .
H9D H 0.174704 0.209096 -0.001447 0.079 Uiso 1 1 calc R U . . .
C10A C 0.5995(3) -0.0968(3) 0.1814(2) 0.0743(9) Uani 1 1 d . . . . .
H10A H 0.627070 -0.145917 0.147540 0.089 Uiso 1 1 calc R U . . .
C10C C 0.5154(6) 0.6289(3) 0.1658(2) 0.0989(16) Uani 1 1 d . . . . .
H10C H 0.562414 0.669811 0.118511 0.119 Uiso 1 1 calc R U . . .
C10D C 0.1275(3) 0.3617(4) -0.0087(2) 0.0817(10) Uani 1 1 d . . . . .
H10D H 0.074025 0.358029 -0.040134 0.098 Uiso 1 1 calc R U . . .
C11A C 0.6660(3) -0.0126(3) 0.1786(2) 0.0707(9) Uani 1 1 d . . . . .
H11A H 0.738357 -0.004176 0.143009 0.085 Uiso 1 1 calc R U . . .
C11C C 0.4022(6) 0.6462(3) 0.1824(3) 0.1007(16) Uani 1 1 d . . . . .
H11C H 0.372052 0.698902 0.147063 0.121 Uiso 1 1 calc R U . . .
C11D C 0.1450(3) 0.4565(3) 0.0135(3) 0.0773(10) Uani 1 1 d . . . . .
H11D H 0.103973 0.516211 -0.002814 0.093 Uiso 1 1 calc R U . . .
C12A C 0.6251(2) 0.0601(2) 0.22903(19) 0.0596(7) Uani 1 1 d . . . . .
H12A H 0.670482 0.117338 0.228108 0.072 Uiso 1 1 calc R U . . .
C12C C 0.3314(4) 0.5853(3) 0.2520(2) 0.0761(10) Uani 1 1 d . . . . .
H12C H 0.253890 0.598665 0.265147 0.091 Uiso 1 1 calc R U . . .
C12D C 0.2240(3) 0.4616(2) 0.0603(2) 0.0619(7) Uani 1 1 d . . . . .
H12D H 0.236926 0.524900 0.075711 0.074 Uiso 1 1 calc R U . . .
C13A C 0.5169(2) 0.0481(2) 0.28096(17) 0.0479(6) Uani 1 1 d . . . . .
C13B C 0.0403(13) 0.1751(11) 0.2711(10) 0.045(3) Uani 0.433(15) 1 d DG . P A 1
C12B C 0.0126(13) 0.1037(11) 0.2259(10) 0.084(4) Uani 0.433(15) 1 d G . P A 1
H12B H 0.038739 0.034470 0.234316 0.101 Uiso 0.433(15) 1 calc R U P A 1
C11B C -0.0541(12) 0.1358(15) 0.1681(8) 0.088(6) Uani 0.433(15) 1 d G . P A 1
H11B H -0.072654 0.087984 0.137879 0.106 Uiso 0.433(15) 1 calc R U P A 1
C10B C -0.0932(12) 0.2392(16) 0.1555(8) 0.104(6) Uani 0.433(15) 1 d G . P A 1
H10B H -0.137809 0.260698 0.116859 0.125 Uiso 0.433(15) 1 calc R U P A 1
C9B C -0.0655(16) 0.3107(13) 0.2007(12) 0.090(4) Uani 0.433(15) 1 d G . P A 1
H9B H -0.091573 0.379900 0.192277 0.108 Uiso 0.433(15) 1 calc R U P A 1
C8B C 0.0013(16) 0.2786(11) 0.2585(11) 0.050(3) Uani 0.433(15) 1 d DG . P A 1
C13C C 0.3768(3) 0.5041(2) 0.30226(17) 0.0539(7) Uani 1 1 d . . . . .
C13D C 0.2839(2) 0.3717(2) 0.08405(16) 0.0476(6) Uani 1 1 d . . . . .
O4 O -0.1018(8) 0.9841(8) 0.0219(5) 0.102(3) Uani 0.3333 1 d . . P . .
H4E H -0.065275 0.928272 0.022121 0.153 Uiso 0.3333 1 d R U P . .
H4F H -0.083514 1.013988 -0.032105 0.153 Uiso 0.3333 1 d R U P . .
S1 S 0.1246(6) 0.1469(8) 0.3543(5) 0.0560(8) Uani 0.567(15) 1 d D . P A 2
N1 N 0.0167(17) 0.3471(7) 0.2897(9) 0.059(3) Uani 0.567(15) 1 d D . P A 2
C1 C 0.0439(13) 0.2307(13) 0.4176(7) 0.055(3) Uani 0.567(15) 1 d D . P A 2
C2 C 0.0331(11) 0.2064(12) 0.5052(8) 0.080(3) Uani 0.567(15) 1 d . . P A 2
H2 H 0.059853 0.142749 0.530739 0.096 Uiso 0.567(15) 1 calc R U P A 2
C3 C -0.0185(12) 0.2796(13) 0.5528(7) 0.098(4) Uani 0.567(15) 1 d . . P A 2
H3 H -0.022384 0.267365 0.610509 0.118 Uiso 0.567(15) 1 calc R U P A 2
C4 C -0.0631(14) 0.3685(13) 0.5157(10) 0.109(5) Uani 0.567(15) 1 d . . P A 2
H4 H -0.100439 0.414932 0.549261 0.131 Uiso 0.567(15) 1 calc R U P A 2
C5 C -0.0558(12) 0.3931(11) 0.4306(10) 0.080(3) Uani 0.567(15) 1 d . . P A 2
H5 H -0.088486 0.454709 0.407259 0.096 Uiso 0.567(15) 1 calc R U P A 2
C6 C 0.0021(14) 0.3240(13) 0.3786(9) 0.057(3) Uani 0.567(15) 1 d D . P A 2
C7 C -0.0007(18) 0.4565(9) 0.2501(9) 0.086(4) Uani 0.567(15) 1 d D . P A 2
H7A H -0.080437 0.471919 0.262661 0.128 Uiso 0.567(15) 1 calc R U P A 2
H7B H 0.027547 0.465459 0.190016 0.128 Uiso 0.567(15) 1 calc R U P A 2
H7C H 0.039237 0.503911 0.271536 0.128 Uiso 0.567(15) 1 calc R U P A 2
C13 C 0.0421(11) 0.1608(8) 0.2791(7) 0.060(3) Uani 0.567(15) 1 d DG . P A 2
C8 C -0.0010(13) 0.2601(7) 0.2532(9) 0.059(3) Uani 0.567(15) 1 d DG . P A 2
C9 C -0.0606(12) 0.2754(6) 0.1899(9) 0.067(2) Uani 0.567(15) 1 d G . P A 2
H9 H -0.089388 0.341846 0.172573 0.080 Uiso 0.567(15) 1 calc R U P A 2
C10 C -0.0771(9) 0.1914(7) 0.1525(6) 0.075(3) Uani 0.567(15) 1 d G . P A 2
H10 H -0.116909 0.201606 0.110157 0.090 Uiso 0.567(15) 1 calc R U P A 2
C11 C -0.0340(9) 0.0921(6) 0.1784(6) 0.073(3) Uani 0.567(15) 1 d G . P A 2
H11 H -0.045024 0.035858 0.153402 0.088 Uiso 0.567(15) 1 calc R U P A 2
C12 C 0.0256(9) 0.0768(6) 0.2417(7) 0.056(2) Uani 0.567(15) 1 d G . P A 2
H12 H 0.054383 0.010348 0.259065 0.068 Uiso 0.567(15) 1 calc R U P A 2
S3 S 0.0579(3) 0.7719(3) 0.1568(3) 0.0667(5) Uani 0.511(7) 1 d G . P B 1
O3 O 0.0486(7) 0.8613(4) 0.0909(4) 0.177(5) Uani 0.511(7) 1 d G . P B 1
O1 O 0.0753(4) 0.6705(3) 0.1311(3) 0.0891(15) Uani 0.511(7) 1 d G . P B 1
O5 O 0.1235(3) 0.7910(8) 0.2149(5) 0.163(5) Uani 0.511(7) 1 d G . P B 1
C15 C -0.0886(3) 0.7582(3) 0.2238(2) 0.0884(16) Uani 0.511(7) 1 d G . P B 1
F7 F -0.0983(5) 0.6779(4) 0.2901(3) 0.105(2) Uani 0.511(7) 1 d G . P B 1
F8 F -0.1217(5) 0.8458(3) 0.2546(4) 0.1305(11) Uani 0.511(7) 1 d G . P B 1
F9 F -0.1641(3) 0.7398(9) 0.1809(4) 0.159(5) Uani 0.511(7) 1 d G . P B 1
S2 S 0.0696(3) 0.7618(3) 0.1707(2) 0.0667(5) Uani 0.489(7) 1 d G . P B 2
O2 O 0.1105(4) 0.8701(3) 0.1425(5) 0.101(2) Uani 0.489(7) 1 d G . P B 2
O6 O 0.0821(4) 0.7000(4) 0.1054(3) 0.0891(15) Uani 0.489(7) 1 d G . P B 2
O7 O 0.0946(5) 0.7070(5) 0.2490(3) 0.101(2) Uani 0.489(7) 1 d G . P B 2
C14 C -0.0863(3) 0.7785(3) 0.2012(4) 0.0884(16) Uani 0.489(7) 1 d G . P B 2
F1 F -0.1412(3) 0.6852(4) 0.2298(7) 0.147(4) Uani 0.489(7) 1 d G . P B 2
F2 F -0.1163(4) 0.8349(4) 0.2625(3) 0.1305(11) Uani 0.489(7) 1 d G . P B 2
F3 F -0.1272(5) 0.8288(6) 0.1361(5) 0.165(5) Uani 0.489(7) 1 d G . P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S1D 2.5314(7) . ?
Ag1 S1 2.555(8) . ?
Ag1 S1B 2.565(11) . ?
Ag1 S1A 2.5941(7) . ?
Ag1 S1C 2.7999(7) . ?
S1A C13A 1.764(3) . ?
S1A C1A 1.768(3) . ?
S1B C13B 1.756(6) . ?
S1B C1B 1.759(7) . ?
S1C C13C 1.760(3) . ?
S1C C1C 1.767(3) . ?
S1D C13D 1.767(3) . ?
S1D C1D 1.767(3) . ?
N1A C6A 1.406(4) . ?
N1A C8A 1.411(4) . ?
N1A C7A 1.467(4) . ?
N1B C8B 1.418(7) . ?
N1B C6B 1.419(8) . ?
N1B C7B 1.462(9) . ?
N1C C8C 1.408(4) . ?
N1C C6C 1.411(4) . ?
N1C C7C 1.458(4) . ?
N1D C6D 1.412(4) . ?
N1D C8D 1.416(4) . ?
N1D C7D 1.467(4) . ?
C1A C2A 1.388(4) . ?
C1A C6A 1.391(4) . ?
C1C C2C 1.387(4) . ?
C1C C6C 1.389(4) . ?
C1D C2D 1.381(4) . ?
C1D C6D 1.393(4) . ?
C2A C3A 1.383(6) . ?
C2A H2A 0.9300 . ?
C2C C3C 1.384(5) . ?
C2C H2C 0.9300 . ?
C2D C3D 1.383(5) . ?
C2D H2D 0.9300 . ?
C3A C4A 1.371(7) . ?
C3A H3A 0.9300 . ?
C3C C4C 1.349(6) . ?
C3C H3C 0.9300 . ?
C3D C4D 1.369(5) . ?
C3D H3D 0.9300 . ?
C4A C5A 1.375(6) . ?
C4A H4A 0.9300 . ?
C4C C5C 1.383(6) . ?
C4C H4C 0.9300 . ?
C4D C5D 1.376(5) . ?
C4D H4D 0.9300 . ?
C5A C6A 1.400(4) . ?
C5A H5A 0.9300 . ?
C5C C6C 1.395(4) . ?
C5C H5C 0.9300 . ?
C5D C6D 1.392(4) . ?
C5D H5D 0.9300 . ?
C6B C5B 1.3900 . ?
C6B C1B 1.3900 . ?
C5B C4B 1.3900 . ?
C5B H5B 0.9300 . ?
C4B C3B 1.3900 . ?
C4B H4B 0.9300 . ?
C3B C2B 1.3900 . ?
C3B H3B 0.9300 . ?
C2B C1B 1.3900 . ?
C2B H2B 0.9300 . ?
C7A H7AA 0.9600 . ?
C7A H7AB 0.9600 . ?
C7A H7AC 0.9600 . ?
C7B H7BA 0.9600 . ?
C7B H7BB 0.9600 . ?
C7B H7BC 0.9600 . ?
C7C H7CA 0.9600 . ?
C7C H7CB 0.9600 . ?
C7C H7CC 0.9600 . ?
C7D H7DA 0.9600 . ?
C7D H7DB 0.9600 . ?
C7D H7DC 0.9600 . ?
C8A C13A 1.390(4) . ?
C8A C9A 1.395(4) . ?
C8C C13C 1.394(4) . ?
C8C C9C 1.395(4) . ?
C8D C9D 1.383(4) . ?
C8D C13D 1.395(4) . ?
C9A C10A 1.381(5) . ?
C9A H9A 0.9300 . ?
C9C C10C 1.393(6) . ?
C9C H9C 0.9300 . ?
C9D C10D 1.383(5) . ?
C9D H9D 0.9300 . ?
C10A C11A 1.358(5) . ?
C10A H10A 0.9300 . ?
C10C C11C 1.353(7) . ?
C10C H10C 0.9300 . ?
C10D C11D 1.378(6) . ?
C10D H10D 0.9300 . ?
C11A C12A 1.379(5) . ?
C11A H11A 0.9300 . ?
C11C C12C 1.381(6) . ?
C11C H11C 0.9300 . ?
C11D C12D 1.378(5) . ?
C11D H11D 0.9300 . ?
C12A C13A 1.383(4) . ?
C12A H12A 0.9300 . ?
C12C C13C 1.387(4) . ?
C12C H12C 0.9300 . ?
C12D C13D 1.384(4) . ?
C12D H12D 0.9300 . ?
C13B C12B 1.3900 . ?
C13B C8B 1.3900 . ?
C12B C11B 1.3900 . ?
C12B H12B 0.9300 . ?
C11B C10B 1.3900 . ?
C11B H11B 0.9300 . ?
C10B C9B 1.3900 . ?
C10B H10B 0.9300 . ?
C9B C8B 1.3900 . ?
C9B H9B 0.9300 . ?
O4 H4E 0.8302 . ?
O4 H4F 0.8819 . ?
S1 C13 1.755(5) . ?
S1 C1 1.762(7) . ?
N1 C6 1.417(7) . ?
N1 C8 1.418(6) . ?
N1 C7 1.462(8) . ?
C1 C6 1.387(14) . ?
C1 C2 1.402(11) . ?
C2 C3 1.386(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.348(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.368(16) . ?
C4 H4 0.9300 . ?
C5 C6 1.415(11) . ?
C5 H5 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C13 C8 1.3900 . ?
C13 C12 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C9 H9 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10 0.9300 . ?
C11 C12 1.3900 . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
S3 O1 1.4450 . ?
S3 O3 1.4450 . ?
S3 O5 1.4450 . ?
S3 C15 1.8514 . ?
C15 F8 1.3384 . ?
C15 F9 1.3384 . ?
C15 F7 1.3384 . ?
S2 O7 1.4450 . ?
S2 O6 1.4450 . ?
S2 O2 1.4450 . ?
S2 C14 1.8513 . ?
C14 F2 1.3384 . ?
C14 F1 1.3384 . ?
C14 F3 1.3384 . ?

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
S1D Ag1 S1 136.26(18) . . ?
S1D Ag1 S1B 133.1(3) . . ?
S1D Ag1 S1A 113.16(2) . . ?
S1 Ag1 S1A 104.7(2) . . ?
S1B Ag1 S1A 104.6(3) . . ?
S1D Ag1 S1C 94.54(2) . . ?
S1 Ag1 S1C 100.7(2) . . ?
S1B Ag1 S1C 106.4(2) . . ?
S1A Ag1 S1C 98.90(2) . . ?
C13A S1A C1A 98.85(13) . . ?
C13A S1A Ag1 109.54(9) . . ?
C1A S1A Ag1 100.85(9) . . ?
C13B S1B C1B 99.6(9) . . ?
C13B S1B Ag1 106.3(7) . . ?
C1B S1B Ag1 96.0(8) . . ?
C13C S1C C1C 98.51(13) . . ?
C13C S1C Ag1 95.53(9) . . ?
C1C S1C Ag1 110.45(9) . . ?
C13D S1D C1D 96.87(12) . . ?
C13D S1D Ag1 105.01(9) . . ?
C1D S1D Ag1 102.26(9) . . ?
C6A N1A C8A 118.2(2) . . ?
C6A N1A C7A 118.3(3) . . ?
C8A N1A C7A 117.1(3) . . ?
C8B N1B C6B 119.1(14) . . ?
C8B N1B C7B 113.7(16) . . ?
C6B N1B C7B 116.3(15) . . ?
C8C N1C C6C 119.5(2) . . ?
C8C N1C C7C 118.2(3) . . ?
C6C N1C C7C 117.5(3) . . ?
C6D N1D C8D 115.4(2) . . ?
C6D N1D C7D 116.9(2) . . ?
C8D N1D C7D 117.5(3) . . ?
C2A C1A C6A 121.4(3) . . ?
C2A C1A S1A 119.4(3) . . ?
C6A C1A S1A 119.1(2) . . ?
C2C C1C C6C 121.0(3) . . ?
C2C C1C S1C 119.6(2) . . ?
C6C C1C S1C 119.3(2) . . ?
C2D C1D C6D 121.3(3) . . ?
C2D C1D S1D 120.6(2) . . ?
C6D C1D S1D 118.1(2) . . ?
C3A C2A C1A 119.5(4) . . ?
C3A C2A H2A 120.2 . . ?
C1A C2A H2A 120.2 . . ?
C3C C2C C1C 119.9(4) . . ?
C3C C2C H2C 120.0 . . ?
C1C C2C H2C 120.0 . . ?
C1D C2D C3D 119.7(3) . . ?
C1D C2D H2D 120.1 . . ?
C3D C2D H2D 120.1 . . ?
C4A C3A C2A 119.7(4) . . ?
C4A C3A H3A 120.1 . . ?
C2A C3A H3A 120.1 . . ?
C4C C3C C2C 119.3(3) . . ?
C4C C3C H3C 120.4 . . ?
C2C C3C H3C 120.4 . . ?
C4D C3D C2D 119.4(3) . . ?
C4D C3D H3D 120.3 . . ?
C2D C3D H3D 120.3 . . ?
C3A C4A C5A 121.1(4) . . ?
C3A C4A H4A 119.5 . . ?
C5A C4A H4A 119.5 . . ?
C3C C4C C5C 121.9(4) . . ?
C3C C4C H4C 119.0 . . ?
C5C C4C H4C 119.0 . . ?
C3D C4D C5D 121.3(3) . . ?
C3D C4D H4D 119.3 . . ?
C5D C4D H4D 119.3 . . ?
C4A C5A C6A 120.5(4) . . ?
C4A C5A H5A 119.8 . . ?
C6A C5A H5A 119.8 . . ?
C4C C5C C6C 120.0(4) . . ?
C4C C5C H5C 120.0 . . ?
C6C C5C H5C 120.0 . . ?
C4D C5D C6D 120.3(3) . . ?
C4D C5D H5D 119.8 . . ?
C6D C5D H5D 119.8 . . ?
C1A C6A C5A 117.8(3) . . ?
C1A C6A N1A 119.9(3) . . ?
C5A C6A N1A 122.3(3) . . ?
C5B C6B C1B 120.0 . . ?
C5B C6B N1B 122.1(14) . . ?
C1B C6B N1B 117.8(14) . . ?
C6B C5B C4B 120.0 . . ?
C6B C5B H5B 120.0 . . ?
C4B C5B H5B 120.0 . . ?
C3B C4B C5B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C5B C4B H4B 120.0 . . ?
C4B C3B C2B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C2B C3B H3B 120.0 . . ?
C1B C2B C3B 120.0 . . ?
C1B C2B H2B 120.0 . . ?
C3B C2B H2B 120.0 . . ?
C2B C1B C6B 120.0 . . ?
C2B C1B S1B 121.6(11) . . ?
C6B C1B S1B 118.4(11) . . ?
C1C C6C C5C 117.9(3) . . ?
C1C C6C N1C 119.6(3) . . ?
C5C C6C N1C 122.6(3) . . ?
C5D C6D C1D 117.9(3) . . ?
C5D C6D N1D 123.5(3) . . ?
C1D C6D N1D 118.6(2) . . ?
N1A C7A H7AA 109.5 . . ?
N1A C7A H7AB 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
N1A C7A H7AC 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
N1B C7B H7BA 109.5 . . ?
N1B C7B H7BB 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
N1B C7B H7BC 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
N1C C7C H7CA 109.5 . . ?
N1C C7C H7CB 109.5 . . ?
H7CA C7C H7CB 109.5 . . ?
N1C C7C H7CC 109.5 . . ?
H7CA C7C H7CC 109.5 . . ?
H7CB C7C H7CC 109.5 . . ?
N1D C7D H7DA 109.5 . . ?
N1D C7D H7DB 109.5 . . ?
H7DA C7D H7DB 109.5 . . ?
N1D C7D H7DC 109.5 . . ?
H7DA C7D H7DC 109.5 . . ?
H7DB C7D H7DC 109.5 . . ?
C13A C8A C9A 117.7(3) . . ?
C13A C8A N1A 119.8(2) . . ?
C9A C8A N1A 122.5(3) . . ?
C13C C8C C9C 117.7(3) . . ?
C13C C8C N1C 119.5(2) . . ?
C9C C8C N1C 122.8(3) . . ?
C9D C8D C13D 117.7(3) . . ?
C9D C8D N1D 123.9(3) . . ?
C13D C8D N1D 118.3(2) . . ?
C10A C9A C8A 120.4(3) . . ?
C10A C9A H9A 119.8 . . ?
C8A C9A H9A 119.8 . . ?
C10C C9C C8C 119.9(4) . . ?
C10C C9C H9C 120.1 . . ?
C8C C9C H9C 120.1 . . ?
C10D C9D C8D 120.3(3) . . ?
C10D C9D H9D 119.8 . . ?
C8D C9D H9D 119.8 . . ?
C11A C10A C9A 121.3(3) . . ?
C11A C10A H10A 119.3 . . ?
C9A C10A H10A 119.3 . . ?
C11C C10C C9C 121.6(4) . . ?
C11C C10C H10C 119.2 . . ?
C9C C10C H10C 119.2 . . ?
C11D C10D C9D 121.4(3) . . ?
C11D C10D H10D 119.3 . . ?
C9D C10D H10D 119.3 . . ?
C10A C11A C12A 119.3(3) . . ?
C10A C11A H11A 120.4 . . ?
C12A C11A H11A 120.4 . . ?
C10C C11C C12C 119.8(4) . . ?
C10C C11C H11C 120.1 . . ?
C12C C11C H11C 120.1 . . ?
C12D C11D C10D 119.1(3) . . ?
C12D C11D H11D 120.4 . . ?
C10D C11D H11D 120.4 . . ?
C11A C12A C13A 120.2(3) . . ?
C11A C12A H12A 119.9 . . ?
C13A C12A H12A 119.9 . . ?
C11C C12C C13C 119.5(4) . . ?
C11C C12C H12C 120.2 . . ?
C13C C12C H12C 120.2 . . ?
C11D C12D C13D 119.5(3) . . ?
C11D C12D H12D 120.2 . . ?
C13D C12D H12D 120.2 . . ?
C12A C13A C8A 121.1(3) . . ?
C12A C13A S1A 119.7(2) . . ?
C8A C13A S1A 119.2(2) . . ?
C12B C13B C8B 120.0 . . ?
C12B C13B S1B 120.5(8) . . ?
C8B C13B S1B 119.5(8) . . ?
C13B C12B C11B 120.0 . . ?
C13B C12B H12B 120.0 . . ?
C11B C12B H12B 120.0 . . ?
C10B C11B C12B 120.0 . . ?
C10B C11B H11B 120.0 . . ?
C12B C11B H11B 120.0 . . ?
C11B C10B C9B 120.0 . . ?
C11B C10B H10B 120.0 . . ?
C9B C10B H10B 120.0 . . ?
C8B C9B C10B 120.0 . . ?
C8B C9B H9B 120.0 . . ?
C10B C9B H9B 120.0 . . ?
C9B C8B C13B 120.0 . . ?
C9B C8B N1B 123.3(11) . . ?
C13B C8B N1B 116.7(11) . . ?
C12C C13C C8C 121.5(3) . . ?
C12C C13C S1C 119.1(3) . . ?
C8C C13C S1C 119.1(2) . . ?
C12D C13D C8D 121.9(3) . . ?
C12D C13D S1D 119.9(2) . . ?
C8D C13D S1D 118.2(2) . . ?
H4E O4 H4F 101.6 . . ?
C13 S1 C1 97.0(6) . . ?
C13 S1 Ag1 106.9(6) . . ?
C1 S1 Ag1 103.2(7) . . ?
C6 N1 C8 115.1(11) . . ?
C6 N1 C7 117.6(12) . . ?
C8 N1 C7 121.8(12) . . ?
C6 C1 C2 121.7(9) . . ?
C6 C1 S1 118.9(9) . . ?
C2 C1 S1 119.1(11) . . ?
C3 C2 C1 118.4(11) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C4 C3 C2 120.1(10) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 122.7(11) . . ?
C3 C4 H4 118.7 . . ?
C5 C4 H4 118.7 . . ?
C4 C5 C6 119.3(13) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C1 C6 C5 117.7(12) . . ?
C1 C6 N1 120.3(11) . . ?
C5 C6 N1 122.0(16) . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C8 C13 C12 120.0 . . ?
C8 C13 S1 118.5(6) . . ?
C12 C13 S1 121.3(6) . . ?
C9 C8 C13 120.0 . . ?
C9 C8 N1 119.2(9) . . ?
C13 C8 N1 120.8(9) . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
O1 S3 O3 115.5 . . ?
O1 S3 O5 115.5 . . ?
O3 S3 O5 115.5 . . ?
O1 S3 C15 102.4 . . ?
O3 S3 C15 102.4 . . ?
O5 S3 C15 102.4 . . ?
F8 C15 F9 107.0 . . ?
F8 C15 F7 107.0 . . ?
F9 C15 F7 107.0 . . ?
F8 C15 S3 111.9 . . ?
F9 C15 S3 111.9 . . ?
F7 C15 S3 111.9 . . ?
O7 S2 O6 115.5 . . ?
O7 S2 O2 115.5 . . ?
O6 S2 O2 115.5 . . ?
O7 S2 C14 102.4 . . ?
O6 S2 C14 102.4 . . ?
O2 S2 C14 102.4 . . ?
F2 C14 F1 107.0 . . ?
F2 C14 F3 107.0 . . ?
F1 C14 F3 107.0 . . ?
F2 C14 S2 111.9 . . ?
F1 C14 S2 111.9 . . ?
F3 C14 S2 111.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13A S1A C1A C2A 148.5(2) . . . . ?
Ag1 S1A C1A C2A -99.5(2) . . . . ?
C13A S1A C1A C6A -35.4(2) . . . . ?
Ag1 S1A C1A C6A 76.6(2) . . . . ?
C13C S1C C1C C2C 147.1(2) . . . . ?
Ag1 S1C C1C C2C -113.7(2) . . . . ?
C13C S1C C1C C6C -35.5(2) . . . . ?
Ag1 S1C C1C C6C 63.7(2) . . . . ?
C13D S1D C1D C2D 138.1(2) . . . . ?
Ag1 S1D C1D C2D -114.8(2) . . . . ?
C13D S1D C1D C6D -40.8(2) . . . . ?
Ag1 S1D C1D C6D 66.3(2) . . . . ?
C6A C1A C2A C3A -1.8(5) . . . . ?
S1A C1A C2A C3A 174.2(3) . . . . ?
C6C C1C C2C C3C -0.9(5) . . . . ?
S1C C1C C2C C3C 176.4(3) . . . . ?
C6D C1D C2D C3D -2.2(4) . . . . ?
S1D C1D C2D C3D 178.9(2) . . . . ?
C1A C2A C3A C4A 2.4(5) . . . . ?
C1C C2C C3C C4C 1.2(6) . . . . ?
C1D C2D C3D C4D 1.1(4) . . . . ?
C2A C3A C4A C5A -0.7(6) . . . . ?
C2C C3C C4C C5C -0.1(6) . . . . ?
C2D C3D C4D C5D 0.4(5) . . . . ?
C3A C4A C5A C6A -1.6(6) . . . . ?
C3C C4C C5C C6C -1.2(6) . . . . ?
C3D C4D C5D C6D -0.8(5) . . . . ?
C2A C1A C6A C5A -0.5(4) . . . . ?
S1A C1A C6A C5A -176.5(2) . . . . ?
C2A C1A C6A N1A 178.8(3) . . . . ?
S1A C1A C6A N1A 2.8(4) . . . . ?
C4A C5A C6A C1A 2.2(5) . . . . ?
C4A C5A C6A N1A -177.0(3) . . . . ?
C8A N1A C6A C1A 41.3(4) . . . . ?
C7A N1A C6A C1A -167.5(3) . . . . ?
C8A N1A C6A C5A -139.5(3) . . . . ?
C7A N1A C6A C5A 11.7(4) . . . . ?
C8B N1B C6B C5B -133.9(19) . . . . ?
C7B N1B C6B C5B 8(3) . . . . ?
C8B N1B C6B C1B 49(3) . . . . ?
C7B N1B C6B C1B -169(2) . . . . ?
C1B C6B C5B C4B 0.0 . . . . ?
N1B C6B C5B C4B -177.3(19) . . . . ?
C6B C5B C4B C3B 0.0 . . . . ?
C5B C4B C3B C2B 0.0 . . . . ?
C4B C3B C2B C1B 0.0 . . . . ?
C3B C2B C1B C6B 0.0 . . . . ?
C3B C2B C1B S1B -179.9(16) . . . . ?
C5B C6B C1B C2B 0.0 . . . . ?
N1B C6B C1B C2B 177.4(18) . . . . ?
C5B C6B C1B S1B 179.9(15) . . . . ?
N1B C6B C1B S1B -2.7(17) . . . . ?
C13B S1B C1B C2B 145.8(11) . . . . ?
Ag1 S1B C1B C2B -106.5(10) . . . . ?
C13B S1B C1B C6B -34.1(13) . . . . ?
Ag1 S1B C1B C6B 73.6(10) . . . . ?
C2C C1C C6C C5C -0.3(4) . . . . ?
S1C C1C C6C C5C -177.7(2) . . . . ?
C2C C1C C6C N1C 179.3(3) . . . . ?
S1C C1C C6C N1C 1.9(4) . . . . ?
C4C C5C C6C C1C 1.4(5) . . . . ?
C4C C5C C6C N1C -178.2(3) . . . . ?
C8C N1C C6C C1C 40.5(4) . . . . ?
C7C N1C C6C C1C -164.3(3) . . . . ?
C8C N1C C6C C5C -139.9(3) . . . . ?
C7C N1C C6C C5C 15.3(4) . . . . ?
C4D C5D C6D C1D -0.4(4) . . . . ?
C4D C5D C6D N1D 178.0(3) . . . . ?
C2D C1D C6D C5D 1.9(4) . . . . ?
S1D C1D C6D C5D -179.2(2) . . . . ?
C2D C1D C6D N1D -176.6(2) . . . . ?
S1D C1D C6D N1D 2.3(3) . . . . ?
C8D N1D C6D C5D -130.1(3) . . . . ?
C7D N1D C6D C5D 14.4(4) . . . . ?
C8D N1D C6D C1D 48.3(3) . . . . ?
C7D N1D C6D C1D -167.2(3) . . . . ?
C6A N1A C8A C13A -42.4(4) . . . . ?
C7A N1A C8A C13A 166.0(3) . . . . ?
C6A N1A C8A C9A 137.2(3) . . . . ?
C7A N1A C8A C9A -14.4(4) . . . . ?
C6C N1C C8C C13C -37.5(4) . . . . ?
C7C N1C C8C C13C 167.4(3) . . . . ?
C6C N1C C8C C9C 144.3(3) . . . . ?
C7C N1C C8C C9C -10.7(4) . . . . ?
C6D N1D C8D C9D 129.6(3) . . . . ?
C7D N1D C8D C9D -14.7(4) . . . . ?
C6D N1D C8D C13D -48.5(3) . . . . ?
C7D N1D C8D C13D 167.2(3) . . . . ?
C13A C8A C9A C10A -0.8(5) . . . . ?
N1A C8A C9A C10A 179.6(3) . . . . ?
C13C C8C C9C C10C -1.0(4) . . . . ?
N1C C8C C9C C10C 177.2(3) . . . . ?
C13D C8D C9D C10D -0.1(5) . . . . ?
N1D C8D C9D C10D -178.3(3) . . . . ?
C8A C9A C10A C11A 0.7(5) . . . . ?
C8C C9C C10C C11C 2.5(6) . . . . ?
C8D C9D C10D C11D 0.4(6) . . . . ?
C9A C10A C11A C12A 0.1(5) . . . . ?
C9C C10C C11C C12C -0.6(6) . . . . ?
C9D C10D C11D C12D -0.2(6) . . . . ?
C10A C11A C12A C13A -0.9(5) . . . . ?
C10C C11C C12C C13C -2.7(5) . . . . ?
C10D C11D C12D C13D -0.1(5) . . . . ?
C11A C12A C13A C8A 0.9(4) . . . . ?
C11A C12A C13A S1A -178.6(2) . . . . ?
C9A C8A C13A C12A 0.0(4) . . . . ?
N1A C8A C13A C12A 179.6(3) . . . . ?
C9A C8A C13A S1A 179.5(2) . . . . ?
N1A C8A C13A S1A -0.9(4) . . . . ?
C1A S1A C13A C12A -146.1(2) . . . . ?
Ag1 S1A C13A C12A 109.0(2) . . . . ?
C1A S1A C13A C8A 34.4(2) . . . . ?
Ag1 S1A C13A C8A -70.5(2) . . . . ?
C1B S1B C13B C12B -144.2(12) . . . . ?
Ag1 S1B C13B C12B 116.6(9) . . . . ?
C1B S1B C13B C8B 37.8(13) . . . . ?
Ag1 S1B C13B C8B -61.4(10) . . . . ?
C8B C13B C12B C11B 0.0 . . . . ?
S1B C13B C12B C11B -178.0(13) . . . . ?
C13B C12B C11B C10B 0.0 . . . . ?
C12B C11B C10B C9B 0.0 . . . . ?
C11B C10B C9B C8B 0.0 . . . . ?
C10B C9B C8B C13B 0.0 . . . . ?
C10B C9B C8B N1B -178(2) . . . . ?
C12B C13B C8B C9B 0.0 . . . . ?
S1B C13B C8B C9B 178.0(12) . . . . ?
C12B C13B C8B N1B 178(2) . . . . ?
S1B C13B C8B N1B -3.9(19) . . . . ?
C6B N1B C8B C9B 133.2(18) . . . . ?
C7B N1B C8B C9B -10(3) . . . . ?
C6B N1B C8B C13B -45(3) . . . . ?
C7B N1B C8B C13B 172.2(18) . . . . ?
C11C C12C C13C C8C 4.1(4) . . . . ?
C11C C12C C13C S1C -169.1(3) . . . . ?
C9C C8C C13C C12C -2.3(4) . . . . ?
N1C C8C C13C C12C 179.5(2) . . . . ?
C9C C8C C13C S1C 171.0(2) . . . . ?
N1C C8C C13C S1C -7.3(3) . . . . ?
C1C S1C C13C C12C -148.4(2) . . . . ?
Ag1 S1C C13C C12C 100.0(2) . . . . ?
C1C S1C C13C C8C 38.2(2) . . . . ?
Ag1 S1C C13C C8C -73.5(2) . . . . ?
C11D C12D C13D C8D 0.3(5) . . . . ?
C11D C12D C13D S1D -179.8(3) . . . . ?
C9D C8D C13D C12D -0.2(4) . . . . ?
N1D C8D C13D C12D 178.0(3) . . . . ?
C9D C8D C13D S1D 179.9(2) . . . . ?
N1D C8D C13D S1D -1.8(3) . . . . ?
C1D S1D C13D C12D -139.4(2) . . . . ?
Ag1 S1D C13D C12D 115.9(2) . . . . ?
C1D S1D C13D C8D 40.5(2) . . . . ?
Ag1 S1D C13D C8D -64.2(2) . . . . ?
C13 S1 C1 C6 -40.4(11) . . . . ?
Ag1 S1 C1 C6 68.9(9) . . . . ?
C13 S1 C1 C2 145.7(9) . . . . ?
Ag1 S1 C1 C2 -105.1(9) . . . . ?
C6 C1 C2 C3 -1.6(11) . . . . ?
S1 C1 C2 C3 172.2(12) . . . . ?
C1 C2 C3 C4 4.1(14) . . . . ?
C2 C3 C4 C5 -2.9(17) . . . . ?
C3 C4 C5 C6 -0.9(15) . . . . ?
C2 C1 C6 C5 -2.1(11) . . . . ?
S1 C1 C6 C5 -175.8(12) . . . . ?
C2 C1 C6 N1 178.6(14) . . . . ?
S1 C1 C6 N1 4.9(15) . . . . ?
C4 C5 C6 C1 3.3(12) . . . . ?
C4 C5 C6 N1 -177.4(15) . . . . ?
C8 N1 C6 C1 42(2) . . . . ?
C7 N1 C6 C1 -163.9(15) . . . . ?
C8 N1 C6 C5 -137.6(14) . . . . ?
C7 N1 C6 C5 17(2) . . . . ?
C1 S1 C13 C8 39.2(10) . . . . ?
Ag1 S1 C13 C8 -66.9(8) . . . . ?
C1 S1 C13 C12 -144.9(9) . . . . ?
Ag1 S1 C13 C12 109.0(8) . . . . ?
C12 C13 C8 C9 0.0 . . . . ?
S1 C13 C8 C9 175.9(10) . . . . ?
C12 C13 C8 N1 -178.9(16) . . . . ?
S1 C13 C8 N1 -3.0(14) . . . . ?
C6 N1 C8 C9 138.2(13) . . . . ?
C7 N1 C8 C9 -15(2) . . . . ?
C6 N1 C8 C13 -43(2) . . . . ?
C7 N1 C8 C13 163.9(14) . . . . ?
C13 C8 C9 C10 0.0 . . . . ?
N1 C8 C9 C10 178.9(16) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C8 C13 C12 C11 0.0 . . . . ?
S1 C13 C12 C11 -175.8(10) . . . . ?
O1 S3 C15 F8 180.0 . . . . ?
O3 S3 C15 F8 -60.0 . . . . ?
O5 S3 C15 F8 60.0 . . . . ?
O1 S3 C15 F9 -60.0 . . . . ?
O3 S3 C15 F9 60.0 . . . . ?
O5 S3 C15 F9 180.0 . . . . ?
O1 S3 C15 F7 60.0 . . . . ?
O3 S3 C15 F7 180.0 . . . . ?
O5 S3 C15 F7 -60.0 . . . . ?
O7 S2 C14 F2 60.0 . . . . ?
O6 S2 C14 F2 180.0 . . . . ?
O2 S2 C14 F2 -60.0 . . . . ?
O7 S2 C14 F1 -60.0 . . . . ?
O6 S2 C14 F1 60.0 . . . . ?
O2 S2 C14 F1 180.0 . . . . ?
O7 S2 C14 F3 180.0 . . . . ?
O6 S2 C14 F3 -60.0 . . . . ?
O2 S2 C14 F3 60.0 . . . . ?

_refine_diff_density_max         1.003
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.052

