# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

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

data_c0091_0m
_database_code_depnum_ccdc_archive 'CCDC 2237575'
loop_
_audit_author_name
_audit_author_address
'Anna Krupp'
;TU Dortmund University
Germany
;
_audit_update_record             
;
2023-01-23 deposited with the CCDC.	2023-04-25 downloaded from the CCDC.
;
_audit_creation_date             2023-01-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H26 Ag N O3 S2'
_chemical_formula_sum            'C16 H26 Ag N O3 S2'
_chemical_formula_weight         452.37
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        P21/n
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.5832(5)
_cell_length_b                   8.8168(7)
_cell_length_c                   20.0863(17)
_cell_angle_alpha                90
_cell_angle_beta                 99.314(3)
_cell_angle_gamma                90
_cell_volume                     1849.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9776
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.36
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.637
_exptl_absorpt_coefficient_mu    1.328
_exptl_absorpt_correction_T_max  0.5704
_exptl_absorpt_correction_T_min  0.5048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1056 before and 0.0546 after correction.
The Ratio of minimum to maximum transmission is 0.8850.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_lustre     ?
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.373
_exptl_crystal_size_mid          0.137
_exptl_crystal_size_min          0.066
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            55509
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         39.999
_diffrn_reflns_theta_min         3.024
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker D8 VENTURE area detector'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_detector_type            'CPAD PHOTON II area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'INCOATEC microfocus sealed tube, Iys 3.0'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10085
_reflns_number_total             11428
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         0.553
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         11428
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0219
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0209P)²+0.3922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0528
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C5(H5), C11(H11)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C4(H4A,H4B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B),
 C10(H10A,H10B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B),
  C16(H16A,H16B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.30099(2) 0.37859(2) 0.33394(2) 0.01582(2) Uani 1 1 d . . . . .
S1 S 0.51847(2) 0.46316(2) 0.32251(2) 0.01330(3) Uani 1 1 d . . . . .
S2 S 1.11076(2) 0.38218(2) 0.39188(2) 0.01386(3) Uani 1 1 d . . . . .
O1 O 0.21978(7) 0.12445(7) 0.27939(4) 0.01889(11) Uani 1 1 d . . . . .
O2 O 0.39229(7) 0.10046(8) 0.35316(4) 0.02491(14) Uani 1 1 d . . . . .
O3 O 0.32723(7) -0.08627(7) 0.28526(3) 0.01930(11) Uani 1 1 d . . . . .
N1 N 0.31316(7) 0.04579(8) 0.30599(3) 0.01395(10) Uani 1 1 d . . . . .
C1 C 0.62911(7) 0.33354(9) 0.37370(4) 0.01505(12) Uani 1 1 d . . . . .
H1A H 0.636770 0.363719 0.421664 0.018 Uiso 1 1 calc R U . . .
H1B H 0.592830 0.229847 0.369323 0.018 Uiso 1 1 calc R U . . .
C2 C 0.75639(7) 0.33083(9) 0.35488(4) 0.01477(12) Uani 1 1 d . . . . .
C3 C 0.86122(7) 0.32265(9) 0.33957(4) 0.01508(12) Uani 1 1 d . . . . .
C4 C 0.98974(7) 0.31495(10) 0.32250(4) 0.01609(13) Uani 1 1 d . . . . .
H4A H 0.993407 0.377539 0.281936 0.019 Uiso 1 1 calc R U . . .
H4B H 1.009060 0.208799 0.311605 0.019 Uiso 1 1 calc R U . . .
C5 C 0.54470(7) 0.64779(9) 0.36337(4) 0.01346(11) Uani 1 1 d . . . . .
H5 H 0.476197 0.715991 0.339818 0.016 Uiso 1 1 calc R U . . .
C6 C 0.67204(8) 0.71958(10) 0.35381(5) 0.01934(14) Uani 1 1 d . . . . .
H6A H 0.680053 0.719334 0.305383 0.023 Uiso 1 1 calc R U . . .
H6B H 0.744019 0.660312 0.378705 0.023 Uiso 1 1 calc R U . . .
C7 C 0.67700(10) 0.88298(10) 0.38035(6) 0.0266(2) Uani 1 1 d . . . . .
H7A H 0.760224 0.929170 0.375362 0.032 Uiso 1 1 calc R U . . .
H7B H 0.608324 0.943287 0.353199 0.032 Uiso 1 1 calc R U . . .
C8 C 0.66038(11) 0.88766(12) 0.45442(6) 0.0301(2) Uani 1 1 d . . . . .
H8A H 0.733858 0.836197 0.482123 0.036 Uiso 1 1 calc R U . . .
H8B H 0.659645 0.994527 0.469485 0.036 Uiso 1 1 calc R U . . .
C9 C 0.53655(11) 0.81064(12) 0.46522(5) 0.02599(18) Uani 1 1 d . . . . .
H9A H 0.462602 0.869643 0.442177 0.031 Uiso 1 1 calc R U . . .
H9B H 0.531765 0.808541 0.514027 0.031 Uiso 1 1 calc R U . . .
C10 C 0.52931(10) 0.64789(10) 0.43760(4) 0.02078(15) Uani 1 1 d . . . . .
H10A H 0.597787 0.585716 0.463858 0.025 Uiso 1 1 calc R U . . .
H10B H 0.445781 0.602422 0.442518 0.025 Uiso 1 1 calc R U . . .
C11 C 1.06216(7) 0.57921(9) 0.39983(4) 0.01319(11) Uani 1 1 d . . . . .
H11 H 0.968385 0.580320 0.401900 0.016 Uiso 1 1 calc R U . . .
C12 C 1.08494(8) 0.67972(10) 0.34096(4) 0.01617(13) Uani 1 1 d . . . . .
H12A H 1.034685 0.640742 0.298544 0.019 Uiso 1 1 calc R U . . .
H12B H 1.176699 0.676676 0.336481 0.019 Uiso 1 1 calc R U . . .
C13 C 1.04552(9) 0.84328(10) 0.35235(4) 0.01841(14) Uani 1 1 d . . . . .
H13A H 1.065703 0.907657 0.315072 0.022 Uiso 1 1 calc R U . . .
H13B H 0.951871 0.847443 0.351773 0.022 Uiso 1 1 calc R U . . .
C14 C 1.11420(10) 0.90571(10) 0.41935(4) 0.02049(15) Uani 1 1 d . . . . .
H14A H 1.082299 1.009085 0.426375 0.025 Uiso 1 1 calc R U . . .
H14B H 1.207145 0.912665 0.418078 0.025 Uiso 1 1 calc R U . . .
C15 C 1.09204(10) 0.80373(10) 0.47797(4) 0.02155(16) Uani 1 1 d . . . . .
H15A H 1.000171 0.805509 0.482275 0.026 Uiso 1 1 calc R U . . .
H15B H 1.141597 0.843004 0.520515 0.026 Uiso 1 1 calc R U . . .
C16 C 1.13294(9) 0.64053(10) 0.46676(4) 0.01762(14) Uani 1 1 d . . . . .
H16A H 1.226384 0.637314 0.466570 0.021 Uiso 1 1 calc R U . . .
H16B H 1.114119 0.575764 0.504215 0.021 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 S1 2.4652(2) . ?
Ag1 S2 2.4833(2) 1_455 ?
Ag1 O1 2.5798(7) . ?
Ag1 O3 2.5726(7) 2 ?
S1 C1 1.8288(8) . ?
S1 C5 1.8238(8) . ?
S2 C4 1.8320(8) . ?
S2 C11 1.8261(8) . ?
O1 N1 1.2539(9) . ?
O2 N1 1.2547(10) . ?
O3 N1 1.2536(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.4571(11) . ?
C2 C3 1.2005(11) . ?
C3 C4 1.4571(11) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5 1.0000 . ?
C5 C6 1.5288(11) . ?
C5 C10 1.5260(12) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.5341(13) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.5268(18) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.5224(16) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.5359(13) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11 1.0000 . ?
C11 C12 1.5278(11) . ?
C11 C16 1.5281(11) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.5287(12) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.5251(13) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.5295(13) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.5297(13) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?

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
S1 Ag1 S2 151.607(7) . 1_455 ?
S1 Ag1 O1 118.364(17) . . ?
S1 Ag1 O3 103.692(16) . 2 ?
S2 Ag1 O1 88.309(17) 1_455 . ?
S2 Ag1 O3 95.117(17) 1_455 2 ?
O3 Ag1 O1 67.67(2) 2 . ?
C1 S1 Ag1 106.33(3) . . ?
C5 S1 Ag1 107.73(3) . . ?
C5 S1 C1 105.53(4) . . ?
C4 S2 Ag1 99.17(3) . 1_655 ?
C11 S2 Ag1 108.32(3) . 1_655 ?
C11 S2 C4 101.66(4) . . ?
N1 O1 Ag1 96.54(5) . . ?
N1 O3 Ag1 110.36(5) . 2_545 ?
O1 N1 O2 119.54(7) . . ?
O3 N1 O1 119.99(7) . . ?
O3 N1 O2 120.47(7) . . ?
S1 C1 H1A 108.9 . . ?
S1 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
C2 C1 S1 113.52(6) . . ?
C2 C1 H1A 108.9 . . ?
C2 C1 H1B 108.9 . . ?
C3 C2 C1 177.49(9) . . ?
C2 C3 C4 178.55(9) . . ?
S2 C4 H4A 109.3 . . ?
S2 C4 H4B 109.3 . . ?
C3 C4 S2 111.73(6) . . ?
C3 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 107.9 . . ?
S1 C5 H5 106.1 . . ?
C6 C5 S1 112.71(6) . . ?
C6 C5 H5 106.1 . . ?
C10 C5 S1 114.06(6) . . ?
C10 C5 H5 106.1 . . ?
C10 C5 C6 110.99(7) . . ?
C5 C6 H6A 109.9 . . ?
C5 C6 H6B 109.9 . . ?
C5 C6 C7 109.06(7) . . ?
H6A C6 H6B 108.3 . . ?
C7 C6 H6A 109.9 . . ?
C7 C6 H6B 109.9 . . ?
C6 C7 H7A 109.4 . . ?
C6 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
C8 C7 C6 111.17(9) . . ?
C8 C7 H7A 109.4 . . ?
C8 C7 H7B 109.4 . . ?
C7 C8 H8A 109.4 . . ?
C7 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 C7 111.37(8) . . ?
C9 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
C8 C9 C10 111.05(8) . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C5 C10 C9 110.27(8) . . ?
C5 C10 H10A 109.6 . . ?
C5 C10 H10B 109.6 . . ?
C9 C10 H10A 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
S2 C11 H11 108.0 . . ?
C12 C11 S2 113.71(5) . . ?
C12 C11 H11 108.0 . . ?
C12 C11 C16 111.07(7) . . ?
C16 C11 S2 107.97(6) . . ?
C16 C11 H11 108.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 C13 110.50(7) . . ?
H12A C12 H12B 108.1 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C12 C13 H13A 109.3 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 C12 111.71(7) . . ?
C14 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 C15 110.90(7) . . ?
H14A C14 H14B 108.0 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 C16 110.93(7) . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C11 C16 C15 110.62(7) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 S1 C1 C2 159.34(5) . . . . ?
Ag1 S1 C5 C6 -174.49(5) . . . . ?
Ag1 S1 C5 C10 57.77(6) . . . . ?
Ag1 S2 C4 C3 -173.03(6) 1_655 . . . ?
Ag1 S2 C11 C12 33.68(6) 1_655 . . . ?
Ag1 S2 C11 C16 -90.05(5) 1_655 . . . ?
Ag1 O1 N1 O2 11.74(8) . . . . ?
Ag1 O1 N1 O3 -168.00(6) . . . . ?
Ag1 O3 N1 O1 19.67(9) 2_545 . . . ?
Ag1 O3 N1 O2 -160.06(6) 2_545 . . . ?
S1 C5 C6 C7 171.62(7) . . . . ?
S1 C5 C10 C9 -172.99(7) . . . . ?
S2 C11 C12 C13 -178.36(6) . . . . ?
S2 C11 C16 C15 -177.59(6) . . . . ?
C1 S1 C5 C6 72.23(7) . . . . ?
C1 S1 C5 C10 -55.50(7) . . . . ?
C4 S2 C11 C12 -70.19(6) . . . . ?
C4 S2 C11 C16 166.09(6) . . . . ?
C5 S1 C1 C2 -86.41(7) . . . . ?
C5 C6 C7 C8 57.62(11) . . . . ?
C6 C5 C10 C9 58.39(10) . . . . ?
C6 C7 C8 C9 -56.22(11) . . . . ?
C7 C8 C9 C10 54.79(12) . . . . ?
C8 C9 C10 C5 -55.66(12) . . . . ?
C10 C5 C6 C7 -59.04(10) . . . . ?
C11 S2 C4 C3 -62.03(7) . . . . ?
C11 C12 C13 C14 55.66(10) . . . . ?
C12 C11 C16 C15 57.10(9) . . . . ?
C12 C13 C14 C15 -55.50(10) . . . . ?
C13 C14 C15 C16 55.76(11) . . . . ?
C14 C15 C16 C11 -56.63(10) . . . . ?
C16 C11 C12 C13 -56.33(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_b2364_0m
_database_code_depnum_ccdc_archive 'CCDC 2237576'
loop_
_audit_author_name
_audit_author_address
'Anna Krupp'
;TU Dortmund University
Germany
;
_audit_update_record             
;
2023-01-23 deposited with the CCDC.	2023-04-25 downloaded from the CCDC.
;
_audit_creation_date             2023-01-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H14 Ag2 N2 O6 S2'
_chemical_formula_sum            'C16 H14 Ag2 N2 O6 S2'
_chemical_formula_weight         610.15
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        P21
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.5968(6)
_cell_length_b                   8.2082(5)
_cell_length_c                   10.9599(6)
_cell_angle_alpha                90
_cell_angle_beta                 91.200(2)
_cell_angle_gamma                90
_cell_volume                     953.09(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9304
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.47
_cell_measurement_theta_min      2.65
_shelx_estimated_absorpt_T_max   0.709
_shelx_estimated_absorpt_T_min   0.432
_exptl_absorpt_coefficient_mu    2.311
_exptl_absorpt_correction_T_max  0.5676
_exptl_absorpt_correction_T_min  0.4452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1009 before and 0.0459 after correction.
The Ratio of minimum to maximum transmission is 0.7844.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.126
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.437
_exptl_crystal_size_mid          0.381
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0163
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            74051
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.273
_diffrn_reflns_theta_min         1.858
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker D8 VENTURE area detector'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_detector_type            'CPAD PHOTON II area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture CMOS with Photon 2'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'INCOATEC microfocus sealed tube, Iys 3.0'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.895
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                8819
_reflns_number_total             9215
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.407
_refine_diff_density_min         -1.785
_refine_diff_density_rms         0.112
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.44(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         9215
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0257
_refine_ls_restrained_S_all      1.202
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0048P)²+1.6041P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0522
_refine_ls_wR_factor_ref         0.0538
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.56(5)
 0.44(5)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C4(H4A,H4B)
3.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.56464(3) 0.38898(3) 0.56383(3) 0.01907(8) Uani 1 1 d . . . . .
Ag2 Ag 0.56755(3) 0.12951(3) 0.06048(3) 0.01611(6) Uani 1 1 d . . . . .
S1 S 0.60491(9) 0.67153(15) 0.47986(9) 0.00885(17) Uani 1 1 d . . . . .
S2 S 0.39564(10) 0.34106(16) 0.02018(9) 0.01052(18) Uani 1 1 d . . . . .
O1 O 0.5858(4) 0.3930(7) 0.7916(3) 0.0205(7) Uani 1 1 d . . . . .
O2 O 0.7358(4) 0.2637(6) 0.7030(3) 0.0185(7) Uani 1 1 d . . . . .
O3 O 0.7189(4) 0.2475(6) 0.8995(3) 0.0176(7) Uani 1 1 d . . . . .
O4 O 0.5862(4) 0.1176(8) 0.2910(3) 0.0240(9) Uani 1 1 d . . . . .
O5 O 0.7369(4) 0.2493(6) 0.2027(3) 0.0181(7) Uani 1 1 d . . . . .
O6 O 0.7180(4) 0.2664(6) 0.4010(3) 0.0160(7) Uani 1 1 d . . . . .
N1 N 0.6809(4) 0.3002(6) 0.7979(4) 0.0122(7) Uani 1 1 d . . . . .
N2 N 0.6812(4) 0.2103(6) 0.2999(4) 0.0121(7) Uani 1 1 d . . . . .
C1 C 0.6501(4) 0.6316(9) 0.3212(3) 0.0127(7) Uani 1 1 d . . . . .
H1A H 0.664593 0.735087 0.277309 0.015 Uiso 1 1 calc R U . . .
H1B H 0.728173 0.565497 0.319237 0.015 Uiso 1 1 calc R U . . .
C2 C 0.5457(4) 0.5438(7) 0.2663(4) 0.0128(7) Uani 1 1 d . . . . .
C3 C 0.4534(5) 0.4678(7) 0.2348(4) 0.0136(8) Uani 1 1 d . . . . .
C4 C 0.3483(4) 0.3779(8) 0.1781(4) 0.0135(7) Uani 1 1 d . . . . .
H4A H 0.269676 0.442956 0.179875 0.016 Uiso 1 1 calc R U . . .
H4B H 0.334315 0.273679 0.221206 0.016 Uiso 1 1 calc R U . . .
C5 C 0.7496(4) 0.7471(6) 0.5427(4) 0.0102(7) Uani 1 1 d . . . . .
C6 C 0.8379(4) 0.6404(8) 0.5910(4) 0.0140(7) Uani 1 1 d . . . . .
H6 H 0.820314 0.526960 0.593856 0.017 Uiso 1 1 calc R U . . .
C7 C 0.9523(5) 0.6993(8) 0.6355(5) 0.0185(9) Uani 1 1 d . . . . .
H7 H 1.013430 0.626173 0.668723 0.022 Uiso 1 1 calc R U . . .
C8 C 0.9781(4) 0.8654(8) 0.6315(5) 0.0192(10) Uani 1 1 d . . . . .
H8 H 1.056860 0.905423 0.661775 0.023 Uiso 1 1 calc R U . . .
C9 C 0.8884(5) 0.9736(7) 0.5830(5) 0.0191(9) Uani 1 1 d . . . . .
H9 H 0.905530 1.087137 0.581287 0.023 Uiso 1 1 calc R U . . .
C10 C 0.7736(4) 0.9143(7) 0.5371(4) 0.0137(7) Uani 1 1 d . . . . .
H10 H 0.712554 0.986523 0.502599 0.016 Uiso 1 1 calc R U . . .
C11 C 0.2505(4) 0.2614(6) -0.0403(4) 0.0112(7) Uani 1 1 d . . . . .
C12 C 0.1627(5) 0.3735(8) -0.0921(4) 0.0171(8) Uani 1 1 d . . . . .
H12 H 0.180841 0.486717 -0.095645 0.021 Uiso 1 1 calc R U . . .
C13 C 0.0477(5) 0.3107(9) -0.1380(5) 0.0212(10) Uani 1 1 d . . . . .
H13 H -0.013149 0.382075 -0.173830 0.025 Uiso 1 1 calc R U . . .
C14 C 0.0228(5) 0.1444(9) -0.1313(5) 0.0218(11) Uani 1 1 d . . . . .
H14 H -0.056200 0.103845 -0.160499 0.026 Uiso 1 1 calc R U . . .
C15 C 0.1110(5) 0.0379(7) -0.0827(5) 0.0178(9) Uani 1 1 d . . . . .
H15 H 0.092898 -0.075397 -0.080075 0.021 Uiso 1 1 calc R U . . .
C16 C 0.2271(5) 0.0956(6) -0.0372(4) 0.0145(7) Uani 1 1 d . . . . .
H16 H 0.288691 0.022316 -0.004950 0.017 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 S1 2.5704(12) 2_646 ?
Ag1 S1 2.5346(12) . ?
Ag1 O1 2.502(4) . ?
Ag1 O2 2.561(5) . ?
Ag1 O6 2.638(4) . ?
Ag2 S2 2.5601(14) 2_645 ?
Ag2 S2 2.5486(13) . ?
Ag2 O3 2.596(4) 1_554 ?
Ag2 O4 2.532(4) . ?
Ag2 O5 2.549(4) . ?
S1 C1 1.843(4) . ?
S1 C5 1.779(5) . ?
S2 C4 1.837(4) . ?
S2 C11 1.786(5) . ?
O1 N1 1.264(6) . ?
O2 N1 1.239(5) . ?
O3 N1 1.253(5) . ?
O4 N2 1.264(6) . ?
O5 N2 1.270(5) . ?
O6 N2 1.254(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.441(7) . ?
C2 C3 1.205(3) . ?
C3 C4 1.463(8) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.380(7) . ?
C5 C10 1.398(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.384(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.391(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.398(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.394(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.419(8) . ?
C11 C16 1.384(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.406(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(11) . ?
C14 H14 0.9500 . ?
C14 C15 1.379(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.400(7) . ?
C16 H16 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1 Ag1 S1 133.64(2) . 2_646 ?
S1 Ag1 O2 117.46(11) . . ?
S1 Ag1 O6 92.70(10) 2_646 . ?
S1 Ag1 O6 89.57(11) . . ?
O1 Ag1 S1 109.76(14) . . ?
O1 Ag1 S1 104.04(12) . 2_646 ?
O1 Ag1 O2 50.46(13) . . ?
O1 Ag1 O6 129.53(13) . . ?
O2 Ag1 S1 108.40(11) . 2_646 ?
O2 Ag1 O6 79.12(12) . . ?
S2 Ag2 S2 133.14(2) . 2_645 ?
S2 Ag2 O3 90.56(11) 2_645 1_554 ?
S2 Ag2 O3 94.44(11) . 1_554 ?
S2 Ag2 O5 109.56(11) . . ?
O4 Ag2 S2 103.89(14) . . ?
O4 Ag2 S2 107.42(15) . 2_645 ?
O4 Ag2 O3 130.99(13) . 1_554 ?
O4 Ag2 O5 50.62(12) . . ?
O5 Ag2 S2 117.21(11) . 2_645 ?
O5 Ag2 O3 80.48(12) . 1_554 ?
Ag1 S1 Ag1 125.50(4) . 2_656 ?
C1 S1 Ag1 98.2(2) . 2_656 ?
C1 S1 Ag1 103.2(2) . . ?
C5 S1 Ag1 115.05(17) . 2_656 ?
C5 S1 Ag1 109.18(16) . . ?
C5 S1 C1 100.87(19) . . ?
Ag2 S2 Ag2 125.20(4) . 2_655 ?
C4 S2 Ag2 99.04(18) . . ?
C4 S2 Ag2 102.7(2) . 2_655 ?
C11 S2 Ag2 114.95(18) . . ?
C11 S2 Ag2 110.28(18) . 2_655 ?
C11 S2 C4 99.2(2) . . ?
N1 O1 Ag1 95.8(3) . . ?
N1 O2 Ag1 93.6(3) . . ?
N1 O3 Ag2 122.8(3) . 1_556 ?
N2 O4 Ag2 95.7(3) . . ?
N2 O5 Ag2 94.7(3) . . ?
N2 O6 Ag1 123.6(3) . . ?
O2 N1 O1 119.2(4) . . ?
O2 N1 O3 121.0(4) . . ?
O3 N1 O1 119.8(4) . . ?
O4 N2 O5 118.0(4) . . ?
O6 N2 O4 121.5(4) . . ?
O6 N2 O5 120.5(4) . . ?
S1 C1 H1A 110.6 . . ?
S1 C1 H1B 110.6 . . ?
H1A C1 H1B 108.7 . . ?
C2 C1 S1 105.7(3) . . ?
C2 C1 H1A 110.6 . . ?
C2 C1 H1B 110.6 . . ?
C3 C2 C1 172.0(3) . . ?
C2 C3 C4 171.5(3) . . ?
S2 C4 H4A 110.7 . . ?
S2 C4 H4B 110.7 . . ?
C3 C4 S2 105.2(3) . . ?
C3 C4 H4A 110.7 . . ?
C3 C4 H4B 110.7 . . ?
H4A C4 H4B 108.8 . . ?
C6 C5 S1 120.0(4) . . ?
C6 C5 C10 121.2(5) . . ?
C10 C5 S1 118.8(4) . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C7 119.7(6) . . ?
C7 C6 H6 120.2 . . ?
C6 C7 H7 119.9 . . ?
C6 C7 C8 120.2(5) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.1(5) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.8(5) . . ?
C10 C9 H9 120.1 . . ?
C5 C10 H10 120.5 . . ?
C9 C10 C5 119.0(5) . . ?
C9 C10 H10 120.5 . . ?
C12 C11 S2 117.6(4) . . ?
C16 C11 S2 120.3(4) . . ?
C16 C11 C12 122.1(5) . . ?
C11 C12 H12 121.3 . . ?
C13 C12 C11 117.5(6) . . ?
C13 C12 H12 121.3 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.3(6) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 119.5 . . ?
C15 C14 C13 120.9(5) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.4(5) . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 118.7(5) . . ?
C11 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?

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
Ag1 S1 C1 C2 -71.9(4) 2_656 . . . ?
Ag1 S1 C1 C2 57.7(4) . . . . ?
Ag1 S1 C5 C6 167.7(3) 2_656 . . . ?
Ag1 S1 C5 C6 20.4(4) . . . . ?
Ag1 S1 C5 C10 -15.0(4) 2_656 . . . ?
Ag1 S1 C5 C10 -162.3(3) . . . . ?
Ag1 O1 N1 O2 9.6(5) . . . . ?
Ag1 O1 N1 O3 -170.9(4) . . . . ?
Ag1 O2 N1 O1 -9.4(5) . . . . ?
Ag1 O2 N1 O3 171.1(4) . . . . ?
Ag1 O6 N2 O4 -44.5(7) . . . . ?
Ag1 O6 N2 O5 133.6(4) . . . . ?
Ag2 S2 C4 C3 -58.1(4) 2_655 . . . ?
Ag2 S2 C4 C3 71.2(4) . . . . ?
Ag2 S2 C11 C12 -16.9(4) 2_655 . . . ?
Ag2 S2 C11 C12 -165.0(3) . . . . ?
Ag2 S2 C11 C16 162.3(3) 2_655 . . . ?
Ag2 S2 C11 C16 14.1(4) . . . . ?
Ag2 O3 N1 O1 45.6(7) 1_556 . . . ?
Ag2 O3 N1 O2 -134.9(4) 1_556 . . . ?
Ag2 O4 N2 O5 -9.7(5) . . . . ?
Ag2 O4 N2 O6 168.4(4) . . . . ?
Ag2 O5 N2 O4 9.6(5) . . . . ?
Ag2 O5 N2 O6 -168.5(4) . . . . ?
S1 C5 C6 C7 177.5(4) . . . . ?
S1 C5 C10 C9 -178.1(3) . . . . ?
S2 C11 C12 C13 -179.1(4) . . . . ?
S2 C11 C16 C15 178.4(3) . . . . ?
C1 S1 C5 C6 -87.8(4) . . . . ?
C1 S1 C5 C10 89.5(4) . . . . ?
C4 S2 C11 C12 90.4(4) . . . . ?
C4 S2 C11 C16 -90.4(4) . . . . ?
C5 S1 C1 C2 170.5(4) . . . . ?
C5 C6 C7 C8 0.1(7) . . . . ?
C6 C5 C10 C9 -0.9(6) . . . . ?
C6 C7 C8 C9 0.2(8) . . . . ?
C7 C8 C9 C10 -0.8(8) . . . . ?
C8 C9 C10 C5 1.2(7) . . . . ?
C10 C5 C6 C7 0.3(7) . . . . ?
C11 S2 C4 C3 -171.5(4) . . . . ?
C11 C12 C13 C14 0.4(7) . . . . ?
C12 C11 C16 C15 -2.5(7) . . . . ?
C12 C13 C14 C15 -1.8(8) . . . . ?
C13 C14 C15 C16 1.1(8) . . . . ?
C14 C15 C16 C11 1.0(7) . . . . ?
C16 C11 C12 C13 1.7(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.56(5)
2 0.44(5)

