# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_231021_rn_tus42_colorless_90k__a
_database_code_depnum_ccdc_archive 'CCDC 2373129'
loop_
_audit_author_name
_audit_author_address
'Riki Nakatani'
;Tokyo University of Science
Japan
;
_audit_update_record             
;
2024-07-24 deposited with the CCDC.	2024-11-18 downloaded from the CCDC.
;
_audit_creation_date             2024-07-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3

# start Validation Reply Form
_vrf_RINTA01_231021_rn_tus42_colorless_90k__a 
;
PROBLEM: The value of Rint is greater than 0.18
 Rint given 0.225
RESPONSE: The diffractibility of the crystal was not good. After several 
attempts of data collection, the reported one is found to be the best one.
;
# end Validation Reply Form

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H45 Ag6 F9 N4 O6 S3, 1[C4H9NO]'
_chemical_formula_sum            'C40 H54 Ag6 F9 N5 O7 S3'
_chemical_formula_weight         1631.28
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
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                   21.868(3)
_cell_length_b                   22.557(3)
_cell_length_c                   22.892(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11292(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    4674
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      26.17
_cell_measurement_theta_min      2.54
_shelx_estimated_absorpt_T_max   0.664
_shelx_estimated_absorpt_T_min   0.617
_exptl_absorpt_coefficient_mu    2.227
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. 
wR2(int) was 0.1833 before and 0.0985 after correction. 
The Ratio of minimum to maximum transmission is 0.8625. 
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6368
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2248
_diffrn_reflns_av_unetI/netI     0.1141
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            76830
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        24.713
_diffrn_reflns_theta_max         24.713
_diffrn_reflns_theta_min         2.070
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5705
_reflns_number_total             9365
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.578
_refine_diff_density_min         -0.824
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         9365
_refine_ls_number_restraints     506
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0531
_refine_ls_restrained_S_all      0.954
_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)+(0.0382P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.1173
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
4.a Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B), C13(H13A,H13B)
4.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C17(H17), C18(H18)
4.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C25(H25A,H25B,
 H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C31(H31A,H31B,H31C)
;
_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 0.08501(3) 0.36252(3) 0.96225(4) 0.0322(2) Uani 1 1 d . U . . .
Ag2 Ag 0.45603(4) 0.41454(3) 0.63247(4) 0.0341(2) Uani 1 1 d . U . . .
Ag3 Ag 0.56327(3) 0.49470(3) 0.60176(3) 0.02196(17) Uani 1 1 d . U . . .
Ag4 Ag 0.49618(3) 0.60158(3) 0.56269(3) 0.02223(17) Uani 1 1 d . U . . .
Ag04 Ag 0.14023(3) 0.03957(3) 0.58069(4) 0.0309(2) Uani 1 1 d . U . . .
Ag5 Ag 0.60582(3) 0.56069(3) 0.49895(3) 0.02200(17) Uani 1 1 d . U . . .
S1 S 0.46899(9) 0.36416(9) 0.53499(11) 0.0214(5) Uani 1 1 d . U . . .
S2 S 0.63983(9) 0.45999(10) 0.52951(11) 0.0209(5) Uani 1 1 d . U . . .
S3 S 0.45973(9) 0.52696(9) 0.63397(10) 0.0197(5) Uani 1 1 d . U . . .
F00F F 0.3457(2) 0.7564(3) 0.6501(3) 0.0456(16) Uani 1 1 d . U . . .
F00H F 0.6440(3) 0.3488(2) 0.7590(3) 0.0485(17) Uani 1 1 d . U . . .
F00I F 0.4272(3) 0.7502(3) 0.7008(3) 0.0484(16) Uani 1 1 d . U . . .
F00J F 0.7014(2) 0.4242(3) 0.7536(3) 0.0505(17) Uani 1 1 d . U . . .
F00K F 0.7722(3) 0.6408(3) 0.3561(3) 0.0622(19) Uani 1 1 d . U . . .
F00M F 0.6219(3) 0.4268(3) 0.8059(3) 0.0624(19) Uani 1 1 d . U . . .
F00N F 0.4239(3) 0.8085(3) 0.6273(3) 0.067(2) Uani 1 1 d . U . . .
F01P F 0.7673(4) 0.6930(4) 0.4311(4) 0.112(3) Uani 1 1 d . U . . .
F01V F 0.8185(3) 0.6171(6) 0.4336(5) 0.138(4) Uani 1 1 d . U . . .
O00A O 0.5690(3) 0.3973(3) 0.6813(3) 0.0284(15) Uani 1 1 d . U . . .
O00C O 0.6168(2) 0.4839(3) 0.6919(3) 0.0251(13) Uani 1 1 d . U . . .
O1 O 0.6885(3) 0.5673(3) 0.3992(3) 0.0270(14) Uani 1 1 d . U . . .
O2 O 0.7012(3) 0.6106(3) 0.4869(3) 0.0287(15) Uani 1 1 d . U . . .
O3 O 0.3942(3) 0.6876(3) 0.5681(3) 0.0304(15) Uani 1 1 d . U . . .
O4 O 0.4844(3) 0.6924(3) 0.6152(3) 0.0261(14) Uani 1 1 d . U . . .
N1 N 0.2208(3) 0.0792(4) 0.6319(4) 0.0294(17) Uani 1 1 d . U . . .
N2 N 0.2982(3) 0.1982(3) 0.7987(3) 0.0226(15) Uani 1 1 d . U . . .
N3 N 0.1321(3) 0.2825(3) 0.9212(4) 0.0268(16) Uani 1 1 d . U . . .
N4 N 0.4176(3) 0.3638(3) 0.7097(4) 0.0278(16) Uani 1 1 d . U . . .
C1 C 0.2516(4) 0.0437(4) 0.6687(4) 0.0284(19) Uani 1 1 d . U . . .
H1 H 0.247714 0.002814 0.665439 0.034 Uiso 1 1 calc R U . . .
C2 C 0.2280(4) 0.1362(4) 0.6356(4) 0.0268(19) Uani 1 1 d . U . . .
H2 H 0.207037 0.160104 0.609266 0.032 Uiso 1 1 calc R U . . .
C3 C 0.2641(4) 0.1626(4) 0.6756(4) 0.0258(19) Uani 1 1 d . U . . .
H3 H 0.268414 0.203644 0.675810 0.031 Uiso 1 1 calc R U . . .
C4 C 0.2952(4) 0.1280(4) 0.7169(4) 0.0227(17) Uani 1 1 d . U . . .
C5 C 0.2895(4) 0.0675(4) 0.7119(4) 0.0277(19) Uani 1 1 d . U . . .
H5 H 0.310752 0.042583 0.737097 0.033 Uiso 1 1 calc R U . . .
C6 C 0.3343(4) 0.1567(4) 0.7624(4) 0.0241(18) Uani 1 1 d . U . . .
H6A H 0.352135 0.126382 0.787180 0.029 Uiso 1 1 calc R U . . .
H6B H 0.367386 0.178068 0.743634 0.029 Uiso 1 1 calc R U . . .
C7 C 0.2596(4) 0.1650(4) 0.8399(4) 0.0255(18) Uani 1 1 d . U . . .
H7A H 0.285322 0.146876 0.869478 0.031 Uiso 1 1 calc R U . . .
H7B H 0.238566 0.133531 0.819168 0.031 Uiso 1 1 calc R U . . .
C8 C 0.2136(4) 0.2044(4) 0.8688(4) 0.0209(17) Uani 1 1 d . U . . .
C9 C 0.2104(4) 0.2091(4) 0.9273(4) 0.0278(19) Uani 1 1 d . U . . .
H9 H 0.236180 0.186174 0.950388 0.033 Uiso 1 1 calc R U . . .
C10 C 0.1690(4) 0.2481(4) 0.9540(4) 0.0246(18) Uani 1 1 d . U . . .
H10 H 0.166884 0.250103 0.994555 0.029 Uiso 1 1 calc R U . . .
C11 C 0.1338(4) 0.2767(4) 0.8632(4) 0.0250(18) Uani 1 1 d . U . . .
H11 H 0.107247 0.299374 0.840696 0.030 Uiso 1 1 calc R U . . .
C12 C 0.1739(4) 0.2380(4) 0.8352(4) 0.0238(18) Uani 1 1 d . U . . .
H12 H 0.174074 0.234875 0.794649 0.029 Uiso 1 1 calc R U . . .
C13 C 0.3385(4) 0.2389(4) 0.8301(4) 0.0266(19) Uani 1 1 d . U . . .
H13A H 0.370647 0.216560 0.849304 0.032 Uiso 1 1 calc R U . . .
H13B H 0.315366 0.259672 0.859862 0.032 Uiso 1 1 calc R U . . .
C14 C 0.3667(4) 0.2832(4) 0.7887(4) 0.0244(17) Uani 1 1 d . U . . .
C15 C 0.3292(4) 0.3204(4) 0.7550(4) 0.0253(19) Uani 1 1 d . U . . .
H15 H 0.286824 0.319005 0.758457 0.030 Uiso 1 1 calc R U . . .
C16 C 0.3570(4) 0.3595(4) 0.7161(4) 0.0296(19) Uani 1 1 d . U . . .
H16 H 0.332230 0.383828 0.693497 0.035 Uiso 1 1 calc R U . . .
C17 C 0.4531(4) 0.3279(4) 0.7424(5) 0.031(2) Uani 1 1 d . U . . .
H17 H 0.495309 0.329656 0.737688 0.038 Uiso 1 1 calc R U . . .
C18 C 0.4293(4) 0.2889(4) 0.7824(4) 0.0274(19) Uani 1 1 d . U . . .
H18 H 0.455400 0.266116 0.805371 0.033 Uiso 1 1 calc R U . . .
C19 C 0.4874(4) 0.2423(4) 0.5305(5) 0.027(2) Uani 1 1 d . U . . .
H19A H 0.513914 0.250263 0.497968 0.041 Uiso 1 1 calc R U . . .
H19B H 0.471343 0.202847 0.527173 0.041 Uiso 1 1 calc R U . . .
H19C H 0.510031 0.245899 0.566214 0.041 Uiso 1 1 calc R U . . .
C20 C 0.3965(4) 0.2763(4) 0.5850(5) 0.040(3) Uani 1 1 d . U . . .
H20A H 0.365988 0.306599 0.588715 0.060 Uiso 1 1 calc R U . . .
H20B H 0.422790 0.276949 0.618577 0.060 Uiso 1 1 calc R U . . .
H20C H 0.377028 0.238251 0.582183 0.060 Uiso 1 1 calc R U . . .
C21 C 0.3968(4) 0.2828(4) 0.4754(5) 0.031(2) Uani 1 1 d . U . . .
H21A H 0.365373 0.312496 0.475688 0.047 Uiso 1 1 calc R U . . .
H21B H 0.378409 0.244207 0.473117 0.047 Uiso 1 1 calc R U . . .
H21C H 0.422857 0.288747 0.442125 0.047 Uiso 1 1 calc R U . . .
C22 C 0.4341(4) 0.2873(4) 0.5305(5) 0.0276(19) Uani 1 1 d . U . . .
C23 C 0.6427(4) 0.4080(4) 0.7555(5) 0.0311(19) Uani 1 1 d . U . . .
C24 C 0.6064(4) 0.4310(4) 0.7044(4) 0.0256(17) Uani 1 1 d . U . . .
C25 C 0.4601(4) 0.5038(4) 0.7529(4) 0.030(2) Uani 1 1 d . U . . .
H25A H 0.425249 0.479375 0.744595 0.046 Uiso 1 1 calc R U . . .
H25B H 0.457705 0.517893 0.792427 0.046 Uiso 1 1 calc R U . . .
H25C H 0.496826 0.481001 0.748023 0.046 Uiso 1 1 calc R U . . .
C26 C 0.4036(4) 0.5942(4) 0.7193(4) 0.029(2) Uani 1 1 d . U . . .
H26A H 0.400008 0.622111 0.687817 0.043 Uiso 1 1 calc R U . . .
H26B H 0.406332 0.615266 0.755698 0.043 Uiso 1 1 calc R U . . .
H26C H 0.368412 0.568857 0.719833 0.043 Uiso 1 1 calc R U . . .
C27 C 0.5184(4) 0.5947(5) 0.7193(5) 0.036(2) Uani 1 1 d . U . . .
H27A H 0.554046 0.570576 0.713926 0.054 Uiso 1 1 calc R U . . .
H27B H 0.518487 0.610992 0.758083 0.054 Uiso 1 1 calc R U . . .
H27C H 0.518548 0.626421 0.691309 0.054 Uiso 1 1 calc R U . . .
C28 C 0.4610(4) 0.5570(4) 0.7108(4) 0.0236(17) Uani 1 1 d . U . . .
C29 C 0.7289(4) 0.5166(4) 0.5980(5) 0.030(2) Uani 1 1 d . U . . .
H29A H 0.725787 0.551013 0.573540 0.045 Uiso 1 1 calc R U . . .
H29B H 0.768436 0.515767 0.616243 0.045 Uiso 1 1 calc R U . . .
H29C H 0.697763 0.517970 0.627512 0.045 Uiso 1 1 calc R U . . .
C30 C 0.7638(4) 0.4594(5) 0.5087(4) 0.034(2) Uani 1 1 d . U . . .
H30A H 0.756253 0.424935 0.485134 0.051 Uiso 1 1 calc R U . . .
H30B H 0.805203 0.458603 0.522584 0.051 Uiso 1 1 calc R U . . .
H30C H 0.757455 0.494421 0.485657 0.051 Uiso 1 1 calc R U . . .
C31 C 0.7277(4) 0.4044(4) 0.5972(5) 0.033(2) Uani 1 1 d . U . . .
H31A H 0.700868 0.406616 0.630306 0.050 Uiso 1 1 calc R U . . .
H31B H 0.769275 0.401439 0.610477 0.050 Uiso 1 1 calc R U . . .
H31C H 0.717703 0.370075 0.574319 0.050 Uiso 1 1 calc R U . . .
C32 C 0.7204(4) 0.4597(4) 0.5602(4) 0.0277(19) Uani 1 1 d . U . . .
C33 C 0.7703(5) 0.6343(6) 0.4123(6) 0.059(3) Uani 1 1 d . U . . .
C34 C 0.7151(4) 0.6009(5) 0.4345(5) 0.033(2) Uani 1 1 d . U . . .
C35 C 0.4063(4) 0.7554(4) 0.6447(5) 0.0304(19) Uani 1 1 d . U . . .
C36 C 0.4312(4) 0.7057(4) 0.6040(5) 0.0278(18) Uani 1 1 d . 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 Ag3 3.3560(11) 6_557 ?
Ag1 Ag4 3.0157(11) 2_565 ?
Ag1 S1 2.538(2) 6_557 ?
Ag1 S2 2.511(2) 6_557 ?
Ag1 N3 2.280(8) . ?
Ag2 Ag3 3.0436(10) . ?
Ag2 Ag5 3.3454(12) 5_666 ?
Ag2 S1 2.520(3) . ?
Ag2 S3 2.537(2) . ?
Ag2 N4 2.269(8) . ?
Ag3 Ag4 2.9604(10) . ?
Ag3 Ag5 2.9360(11) . ?
Ag3 S2 2.480(2) . ?
Ag3 S3 2.490(2) . ?
Ag3 O00C 2.384(6) . ?
Ag4 Ag04 3.3203(10) 8_665 ?
Ag4 Ag5 2.9544(10) . ?
Ag4 S1 2.485(3) 5_666 ?
Ag4 S3 2.476(2) . ?
Ag4 O4 2.389(6) . ?
Ag04 Ag5 3.0008(11) 4_456 ?
Ag04 S2 2.523(3) 4_456 ?
Ag04 S3 2.519(2) 8_655 ?
Ag04 N1 2.297(7) . ?
Ag5 S1 2.481(2) 5_666 ?
Ag5 S2 2.490(2) . ?
Ag5 O2 2.386(6) . ?
S1 C22 1.897(9) . ?
S2 C32 1.897(9) . ?
S3 C28 1.885(9) . ?
F00F C35 1.331(10) . ?
F00H C23 1.337(11) . ?
F00I C35 1.367(12) . ?
F00J C23 1.336(11) . ?
F00K C33 1.297(14) . ?
F00M C23 1.312(11) . ?
F00N C35 1.321(11) . ?
F01P C33 1.395(16) . ?
F01V C33 1.224(15) . ?
O00A C24 1.236(10) . ?
O00C C24 1.247(11) . ?
O1 C34 1.250(11) . ?
O2 C34 1.257(12) . ?
O3 C36 1.224(11) . ?
O4 C36 1.228(10) . ?
N1 C1 1.344(12) . ?
N1 C2 1.298(12) . ?
N2 C6 1.480(11) . ?
N2 C7 1.470(11) . ?
N2 C13 1.463(11) . ?
N3 C10 1.348(11) . ?
N3 C11 1.334(12) . ?
N4 C16 1.335(11) . ?
N4 C17 1.349(12) . ?
C1 H1 0.9300 . ?
C1 C5 1.396(13) . ?
C2 H2 0.9300 . ?
C2 C3 1.349(12) . ?
C3 H3 0.9300 . ?
C3 C4 1.401(13) . ?
C4 C5 1.375(13) . ?
C4 C6 1.496(12) . ?
C5 H5 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.498(12) . ?
C8 C9 1.345(13) . ?
C8 C12 1.386(12) . ?
C9 H9 0.9300 . ?
C9 C10 1.403(12) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.395(12) . ?
C12 H12 0.9300 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.509(13) . ?
C14 C15 1.405(13) . ?
C14 C18 1.384(12) . ?
C15 H15 0.9300 . ?
C15 C16 1.392(13) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.373(13) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C19 C22 1.546(12) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 C22 1.514(14) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 C22 1.506(13) . ?
C23 C24 1.506(13) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25 C28 1.539(13) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C26 C28 1.524(12) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C27 C28 1.528(12) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C29 C32 1.559(13) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C30 C32 1.513(13) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C31 C32 1.517(13) . ?
C33 C34 1.511(14) . ?
C35 C36 1.557(13) . ?

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
Ag4 Ag1 Ag3 90.63(3) 2_565 6_557 ?
S1 Ag1 Ag3 81.74(5) 6_557 6_557 ?
S1 Ag1 Ag4 52.31(6) 6_557 2_565 ?
S2 Ag1 Ag3 47.36(5) 6_557 6_557 ?
S2 Ag1 Ag4 89.35(6) 6_557 2_565 ?
S2 Ag1 S1 117.55(7) 6_557 6_557 ?
N3 Ag1 Ag3 126.0(2) . 6_557 ?
N3 Ag1 Ag4 142.4(2) . 2_565 ?
N3 Ag1 S1 118.23(19) . 6_557 ?
N3 Ag1 S2 120.56(19) . 6_557 ?
Ag3 Ag2 Ag5 90.26(3) . 5_666 ?
S1 Ag2 Ag3 88.66(5) . . ?
S1 Ag2 Ag5 47.51(5) . 5_666 ?
S1 Ag2 S3 117.32(8) . . ?
S3 Ag2 Ag3 52.03(5) . . ?
S3 Ag2 Ag5 81.85(6) . 5_666 ?
N4 Ag2 Ag3 140.0(2) . . ?
N4 Ag2 Ag5 129.5(2) . 5_666 ?
N4 Ag2 S1 120.3(2) . . ?
N4 Ag2 S3 120.4(2) . . ?
Ag2 Ag3 Ag1 71.47(2) . 6_657 ?
Ag4 Ag3 Ag1 131.44(3) . 6_657 ?
Ag4 Ag3 Ag2 99.89(3) . . ?
Ag5 Ag3 Ag1 93.19(3) . 6_657 ?
Ag5 Ag3 Ag2 136.93(3) . . ?
Ag5 Ag3 Ag4 60.14(2) . . ?
S2 Ag3 Ag1 48.15(5) . 6_657 ?
S2 Ag3 Ag2 119.12(6) . . ?
S2 Ag3 Ag4 112.96(6) . . ?
S2 Ag3 Ag5 53.96(6) . . ?
S2 Ag3 S3 154.63(8) . . ?
S3 Ag3 Ag1 121.18(5) . 6_657 ?
S3 Ag3 Ag2 53.46(5) . . ?
S3 Ag3 Ag4 53.19(6) . . ?
S3 Ag3 Ag5 112.17(6) . . ?
O00C Ag3 Ag1 102.57(14) . 6_657 ?
O00C Ag3 Ag2 96.77(15) . . ?
O00C Ag3 Ag4 126.00(14) . . ?
O00C Ag3 Ag5 126.13(15) . . ?
O00C Ag3 S2 102.32(15) . . ?
O00C Ag3 S3 102.71(15) . . ?
Ag1 Ag4 Ag04 71.27(2) 2_564 8_665 ?
Ag3 Ag4 Ag1 137.80(3) . 2_564 ?
Ag3 Ag4 Ag04 93.71(3) . 8_665 ?
Ag5 Ag4 Ag1 100.67(3) . 2_564 ?
Ag5 Ag4 Ag3 59.52(2) . . ?
Ag5 Ag4 Ag04 131.22(3) . 8_665 ?
S1 Ag4 Ag1 53.91(5) 5_666 2_564 ?
S1 Ag4 Ag3 111.91(6) 5_666 . ?
S1 Ag4 Ag04 121.20(6) 5_666 8_665 ?
S1 Ag4 Ag5 53.42(5) 5_666 . ?
S3 Ag4 Ag1 119.70(6) . 2_564 ?
S3 Ag4 Ag3 53.62(5) . . ?
S3 Ag4 Ag04 48.90(5) . 8_665 ?
S3 Ag4 Ag5 111.99(6) . . ?
S3 Ag4 S1 154.55(8) . 5_666 ?
O4 Ag4 Ag1 95.16(15) . 2_564 ?
O4 Ag4 Ag3 126.84(16) . . ?
O4 Ag4 Ag04 101.63(14) . 8_665 ?
O4 Ag4 Ag5 127.15(14) . . ?
O4 Ag4 S1 102.67(17) . 5_666 ?
O4 Ag4 S3 102.49(16) . . ?
Ag5 Ag04 Ag4 90.96(3) 4_456 8_655 ?
S2 Ag04 Ag4 82.59(5) 4_456 8_655 ?
S2 Ag04 Ag5 52.74(5) 4_456 4_456 ?
S3 Ag04 Ag4 47.78(5) 8_655 8_655 ?
S3 Ag04 Ag5 89.51(6) 8_655 4_456 ?
S3 Ag04 S2 118.78(8) 8_655 4_456 ?
N1 Ag04 Ag4 126.05(19) . 8_655 ?
N1 Ag04 Ag5 142.71(19) . 4_456 ?
N1 Ag04 S2 120.8(2) . 4_456 ?
N1 Ag04 S3 117.5(2) . 8_655 ?
Ag3 Ag5 Ag2 132.63(3) . 5_666 ?
Ag3 Ag5 Ag4 60.34(2) . . ?
Ag3 Ag5 Ag04 100.62(3) . 4_556 ?
Ag4 Ag5 Ag2 93.66(3) . 5_666 ?
Ag4 Ag5 Ag04 137.63(3) . 4_556 ?
Ag04 Ag5 Ag2 71.39(3) 4_556 5_666 ?
S1 Ag5 Ag2 48.52(6) 5_666 5_666 ?
S1 Ag5 Ag3 112.86(6) 5_666 . ?
S1 Ag5 Ag4 53.57(6) 5_666 . ?
S1 Ag5 Ag04 119.35(7) 5_666 4_556 ?
S1 Ag5 S2 155.26(7) 5_666 . ?
S2 Ag5 Ag2 121.71(6) . 5_666 ?
S2 Ag5 Ag3 53.63(6) . . ?
S2 Ag5 Ag4 112.85(6) . . ?
S2 Ag5 Ag04 53.73(6) . 4_556 ?
O2 Ag5 Ag2 99.82(16) . 5_666 ?
O2 Ag5 Ag3 127.52(16) . . ?
O2 Ag5 Ag4 128.29(15) . . ?
O2 Ag5 Ag04 93.77(15) . 4_556 ?
O2 Ag5 S1 102.60(16) . 5_666 ?
O2 Ag5 S2 101.62(16) . . ?
Ag2 S1 Ag1 95.56(8) . 6_657 ?
Ag4 S1 Ag1 73.78(6) 5_666 6_657 ?
Ag4 S1 Ag2 133.70(9) 5_666 . ?
Ag5 S1 Ag1 132.61(9) 5_666 6_657 ?
Ag5 S1 Ag2 83.97(7) 5_666 . ?
Ag5 S1 Ag4 73.02(7) 5_666 5_666 ?
C22 S1 Ag1 113.0(3) . 6_657 ?
C22 S1 Ag2 114.5(3) . . ?
C22 S1 Ag4 111.0(3) . 5_666 ?
C22 S1 Ag5 110.0(3) . 5_666 ?
Ag1 S2 Ag04 94.60(8) 6_657 4_556 ?
Ag3 S2 Ag1 84.49(7) . 6_657 ?
Ag3 S2 Ag04 131.91(9) . 4_556 ?
Ag3 S2 Ag5 72.41(6) . . ?
Ag5 S2 Ag1 132.62(9) . 6_657 ?
Ag5 S2 Ag04 73.53(7) . 4_556 ?
C32 S2 Ag1 114.4(3) . 6_657 ?
C32 S2 Ag3 112.4(3) . . ?
C32 S2 Ag04 111.5(3) . 4_556 ?
C32 S2 Ag5 112.6(3) . . ?
Ag3 S3 Ag2 74.51(6) . . ?
Ag3 S3 Ag04 132.74(10) . 8_665 ?
Ag4 S3 Ag2 132.90(10) . . ?
Ag4 S3 Ag3 73.19(6) . . ?
Ag4 S3 Ag04 83.31(7) . 8_665 ?
Ag04 S3 Ag2 94.50(7) 8_665 . ?
C28 S3 Ag2 111.8(3) . . ?
C28 S3 Ag3 111.6(3) . . ?
C28 S3 Ag4 111.5(3) . . ?
C28 S3 Ag04 115.1(3) . 8_665 ?
C24 O00C Ag3 101.9(6) . . ?
C34 O2 Ag5 103.9(5) . . ?
C36 O4 Ag4 101.9(6) . . ?
C1 N1 Ag04 118.3(6) . . ?
C2 N1 Ag04 120.8(6) . . ?
C2 N1 C1 119.2(8) . . ?
C7 N2 C6 110.1(7) . . ?
C13 N2 C6 110.5(7) . . ?
C13 N2 C7 110.5(7) . . ?
C10 N3 Ag1 119.8(6) . . ?
C11 N3 Ag1 120.0(6) . . ?
C11 N3 C10 118.7(8) . . ?
C16 N4 Ag2 119.3(7) . . ?
C16 N4 C17 117.8(8) . . ?
C17 N4 Ag2 121.4(6) . . ?
N1 C1 H1 119.6 . . ?
N1 C1 C5 120.9(9) . . ?
C5 C1 H1 119.6 . . ?
N1 C2 H2 118.2 . . ?
N1 C2 C3 123.6(9) . . ?
C3 C2 H2 118.2 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(9) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C6 120.4(8) . . ?
C5 C4 C3 117.0(9) . . ?
C5 C4 C6 122.6(9) . . ?
C1 C5 H5 120.2 . . ?
C4 C5 C1 119.6(9) . . ?
C4 C5 H5 120.2 . . ?
N2 C6 C4 111.0(7) . . ?
N2 C6 H6A 109.4 . . ?
N2 C6 H6B 109.4 . . ?
C4 C6 H6A 109.4 . . ?
C4 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
N2 C7 H7A 109.3 . . ?
N2 C7 H7B 109.3 . . ?
N2 C7 C8 111.5(7) . . ?
H7A C7 H7B 108.0 . . ?
C8 C7 H7A 109.3 . . ?
C8 C7 H7B 109.3 . . ?
C9 C8 C7 121.4(8) . . ?
C9 C8 C12 118.6(8) . . ?
C12 C8 C7 120.0(9) . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.1(9) . . ?
C10 C9 H9 119.4 . . ?
N3 C10 C9 120.3(9) . . ?
N3 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
N3 C11 H11 118.7 . . ?
N3 C11 C12 122.5(8) . . ?
C12 C11 H11 118.7 . . ?
C8 C12 C11 118.7(9) . . ?
C8 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
N2 C13 H13A 109.5 . . ?
N2 C13 H13B 109.5 . . ?
N2 C13 C14 110.7(8) . . ?
H13A C13 H13B 108.1 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C15 C14 C13 120.2(8) . . ?
C18 C14 C13 122.0(8) . . ?
C18 C14 C15 117.8(9) . . ?
C14 C15 H15 120.9 . . ?
C16 C15 C14 118.3(8) . . ?
C16 C15 H15 120.9 . . ?
N4 C16 C15 123.4(9) . . ?
N4 C16 H16 118.3 . . ?
C15 C16 H16 118.3 . . ?
N4 C17 H17 118.8 . . ?
N4 C17 C18 122.4(8) . . ?
C18 C17 H17 118.8 . . ?
C14 C18 H18 119.9 . . ?
C17 C18 C14 120.2(9) . . ?
C17 C18 H18 119.9 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C22 C19 H19A 109.5 . . ?
C22 C19 H19B 109.5 . . ?
C22 C19 H19C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C20 H20A 109.5 . . ?
C22 C20 H20B 109.5 . . ?
C22 C20 H20C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
C19 C22 S1 107.2(6) . . ?
C20 C22 S1 108.9(7) . . ?
C20 C22 C19 107.5(8) . . ?
C21 C22 S1 109.0(6) . . ?
C21 C22 C19 111.3(8) . . ?
C21 C22 C20 112.7(8) . . ?
F00H C23 C24 113.8(8) . . ?
F00J C23 F00H 104.8(8) . . ?
F00J C23 C24 112.7(8) . . ?
F00M C23 F00H 106.1(8) . . ?
F00M C23 F00J 105.8(8) . . ?
F00M C23 C24 112.9(8) . . ?
O00A C24 O00C 127.7(9) . . ?
O00A C24 C23 117.9(9) . . ?
O00C C24 C23 114.3(8) . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C28 C25 H25A 109.5 . . ?
C28 C25 H25B 109.5 . . ?
C28 C25 H25C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C26 H26A 109.5 . . ?
C28 C26 H26B 109.5 . . ?
C28 C26 H26C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
C25 C28 S3 107.8(6) . . ?
C26 C28 S3 107.8(6) . . ?
C26 C28 C25 109.8(7) . . ?
C26 C28 C27 110.6(7) . . ?
C27 C28 S3 109.4(6) . . ?
C27 C28 C25 111.4(8) . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C32 C29 H29A 109.5 . . ?
C32 C29 H29B 109.5 . . ?
C32 C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C30 H30A 109.5 . . ?
C32 C30 H30B 109.5 . . ?
C32 C30 H30C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
C29 C32 S2 108.3(6) . . ?
C30 C32 S2 107.1(7) . . ?
C30 C32 C29 111.2(8) . . ?
C30 C32 C31 111.4(8) . . ?
C31 C32 S2 107.9(6) . . ?
C31 C32 C29 110.7(8) . . ?
F00K C33 F01P 101.5(11) . . ?
F00K C33 C34 114.5(10) . . ?
F01P C33 C34 109.4(10) . . ?
F01V C33 F00K 113.8(11) . . ?
F01V C33 F01P 102.6(11) . . ?
F01V C33 C34 113.4(12) . . ?
O1 C34 O2 127.5(9) . . ?
O1 C34 C33 117.2(10) . . ?
O2 C34 C33 115.3(9) . . ?
F00F C35 F00I 104.3(8) . . ?
F00F C35 C36 114.6(8) . . ?
F00I C35 C36 112.6(8) . . ?
F00N C35 F00F 107.6(8) . . ?
F00N C35 F00I 105.3(8) . . ?
F00N C35 C36 111.8(9) . . ?
O3 C36 O4 133.3(9) . . ?
O3 C36 C35 114.3(8) . . ?
O4 C36 C35 112.4(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
Ag1 S1 C22 C19 0.7(8) 6_657 . . . ?
Ag1 S1 C22 C20 116.8(6) 6_657 . . . ?
Ag1 S1 C22 C21 -119.9(6) 6_657 . . . ?
Ag1 S2 C32 C29 -134.5(6) 6_657 . . . ?
Ag1 S2 C32 C30 105.5(6) 6_657 . . . ?
Ag1 S2 C32 C31 -14.6(8) 6_657 . . . ?
Ag1 N3 C10 C9 -162.9(7) . . . . ?
Ag1 N3 C11 C12 163.6(7) . . . . ?
Ag2 S1 C22 C19 -107.3(6) . . . . ?
Ag2 S1 C22 C20 8.8(8) . . . . ?
Ag2 S1 C22 C21 132.1(6) . . . . ?
Ag2 S3 C28 C25 0.5(6) . . . . ?
Ag2 S3 C28 C26 -117.9(6) . . . . ?
Ag2 S3 C28 C27 121.8(6) . . . . ?
Ag2 N4 C16 C15 167.2(8) . . . . ?
Ag2 N4 C17 C18 -168.1(7) . . . . ?
Ag3 S2 C32 C29 -40.3(7) . . . . ?
Ag3 S2 C32 C30 -160.3(5) . . . . ?
Ag3 S2 C32 C31 79.5(7) . . . . ?
Ag3 S3 C28 C25 -80.8(6) . . . . ?
Ag3 S3 C28 C26 160.8(5) . . . . ?
Ag3 S3 C28 C27 40.5(7) . . . . ?
Ag3 O00C C24 O00A -11.7(11) . . . . ?
Ag3 O00C C24 C23 171.1(6) . . . . ?
Ag4 S1 C22 C19 81.4(7) 5_666 . . . ?
Ag4 S1 C22 C20 -162.5(6) 5_666 . . . ?
Ag4 S1 C22 C21 -39.2(7) 5_666 . . . ?
Ag4 S3 C28 C25 -160.5(5) . . . . ?
Ag4 S3 C28 C26 81.1(6) . . . . ?
Ag4 S3 C28 C27 -39.2(7) . . . . ?
Ag4 O4 C36 O3 -13.1(13) . . . . ?
Ag4 O4 C36 C35 166.1(7) . . . . ?
Ag04 S2 C32 C29 119.6(6) 4_556 . . . ?
Ag04 S2 C32 C30 -0.4(7) 4_556 . . . ?
Ag04 S2 C32 C31 -120.5(6) 4_556 . . . ?
Ag04 S3 C28 C25 106.9(5) 8_665 . . . ?
Ag04 S3 C28 C26 -11.6(7) 8_665 . . . ?
Ag04 S3 C28 C27 -131.8(6) 8_665 . . . ?
Ag04 N1 C1 C5 -162.9(7) . . . . ?
Ag04 N1 C2 C3 163.1(7) . . . . ?
Ag5 S1 C22 C19 160.2(6) 5_666 . . . ?
Ag5 S1 C22 C20 -83.7(7) 5_666 . . . ?
Ag5 S1 C22 C21 39.6(7) 5_666 . . . ?
Ag5 S2 C32 C29 39.2(7) . . . . ?
Ag5 S2 C32 C30 -80.8(6) . . . . ?
Ag5 S2 C32 C31 159.1(6) . . . . ?
Ag5 O2 C34 O1 -7.3(13) . . . . ?
Ag5 O2 C34 C33 172.4(9) . . . . ?
F00F C35 C36 O3 23.3(13) . . . . ?
F00F C35 C36 O4 -156.1(8) . . . . ?
F00H C23 C24 O00A 19.4(13) . . . . ?
F00H C23 C24 O00C -163.1(8) . . . . ?
F00I C35 C36 O3 142.2(8) . . . . ?
F00I C35 C36 O4 -37.2(11) . . . . ?
F00J C23 C24 O00A 138.5(9) . . . . ?
F00J C23 C24 O00C -44.0(11) . . . . ?
F00K C33 C34 O1 22.5(17) . . . . ?
F00K C33 C34 O2 -157.2(11) . . . . ?
F00M C23 C24 O00A -101.6(10) . . . . ?
F00M C23 C24 O00C 75.9(11) . . . . ?
F00N C35 C36 O3 -99.5(10) . . . . ?
F00N C35 C36 O4 81.1(11) . . . . ?
F01P C33 C34 O1 135.7(11) . . . . ?
F01P C33 C34 O2 -44.0(15) . . . . ?
F01V C33 C34 O1 -110.4(14) . . . . ?
F01V C33 C34 O2 69.8(16) . . . . ?
N1 C1 C5 C4 0.2(14) . . . . ?
N1 C2 C3 C4 -1.5(14) . . . . ?
N2 C7 C8 C9 -123.4(9) . . . . ?
N2 C7 C8 C12 55.2(11) . . . . ?
N2 C13 C14 C15 58.2(11) . . . . ?
N2 C13 C14 C18 -121.7(9) . . . . ?
N3 C11 C12 C8 -0.1(13) . . . . ?
N4 C17 C18 C14 2.9(15) . . . . ?
C1 N1 C2 C3 -1.4(14) . . . . ?
C2 N1 C1 C5 2.1(14) . . . . ?
C2 C3 C4 C5 3.6(13) . . . . ?
C2 C3 C4 C6 -178.6(8) . . . . ?
C3 C4 C5 C1 -3.0(13) . . . . ?
C3 C4 C6 N2 59.0(11) . . . . ?
C5 C4 C6 N2 -123.4(9) . . . . ?
C6 N2 C7 C8 -168.6(7) . . . . ?
C6 N2 C13 C14 71.7(9) . . . . ?
C6 C4 C5 C1 179.3(8) . . . . ?
C7 N2 C6 C4 75.2(9) . . . . ?
C7 N2 C13 C14 -166.1(7) . . . . ?
C7 C8 C9 C10 177.2(8) . . . . ?
C7 C8 C12 C11 -176.6(8) . . . . ?
C8 C9 C10 N3 -1.3(14) . . . . ?
C9 C8 C12 C11 2.1(13) . . . . ?
C10 N3 C11 C12 -2.5(13) . . . . ?
C11 N3 C10 C9 3.2(13) . . . . ?
C12 C8 C9 C10 -1.4(13) . . . . ?
C13 N2 C6 C4 -162.4(8) . . . . ?
C13 N2 C7 C8 69.0(9) . . . . ?
C13 C14 C15 C16 -178.2(9) . . . . ?
C13 C14 C18 C17 177.1(9) . . . . ?
C14 C15 C16 N4 -0.7(15) . . . . ?
C15 C14 C18 C17 -2.8(14) . . . . ?
C16 N4 C17 C18 -1.7(15) . . . . ?
C17 N4 C16 C15 0.6(15) . . . . ?
C18 C14 C15 C16 1.7(14) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 392 electrons were 
found in a volume of 2712Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1[C4H9NO] per formula unit 
which account for 384 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 677.7 97.8 '2 C4H9NO'
2 0.000 0.500 0.500 677.7 97.8 '2 C4H9NO'
3 0.500 0.000 0.500 677.7 97.8 '2 C4H9NO'
4 0.500 0.500 0.000 677.7 97.8 '2 C4H9NO'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_230111_rn_scam_90k_auto
_database_code_depnum_ccdc_archive 'CCDC 2373236'
loop_
_audit_author_name
_audit_author_address
'Riki Nakatani'
;Tokyo University of Science
Japan
;
_audit_update_record             
;
2024-07-24 deposited with the CCDC.	2024-11-18 downloaded from the CCDC.
;
_audit_creation_date             2024-01-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H14 Ag2 F3 N O2 S, 1.5[C2H5OH]'
_chemical_formula_sum            'C18 H23 Ag2 F3 N O3.50 S'
_chemical_formula_weight         614.17
_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 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   24.5604(4)
_cell_length_b                   24.5604(4)
_cell_length_c                   21.6065(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     11287.2(5)
_cell_formula_units_Z            18
_cell_measurement_reflns_used    7622
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      73.5530
_cell_measurement_theta_min      2.9010
_shelx_estimated_absorpt_T_max   0.218
_shelx_estimated_absorpt_T_min   0.218
_exptl_absorpt_coefficient_mu    13.672
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.95a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5454
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12388
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.530
_diffrn_reflns_theta_min         2.915
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     96.00 178.00   0.50    0.33    --  105.20  30.00   0.00  164
  2  ω     30.00  55.00   0.50    0.33    --  105.20 -45.00-120.00   50
  3  ω     29.00  55.00   0.50    0.33    --  105.20 -44.00-136.00   52
  4  ω     48.00 105.00   0.50    0.33    --  105.20 -77.00   0.00  114
  5  ω     31.00  56.00   0.50    0.33    --  105.20 -45.00  90.00   50
  6  ω    -17.00  63.00   0.50    0.08    --   41.30 -99.00  94.00  160
  7  ω     39.00 106.00   0.50    0.33    --  105.20 -99.00  94.00  134
  8  ω      3.00  38.00   0.50    0.08    --  -41.30  19.00 -30.00   70
  9  ω    -59.00 -32.00   0.50    0.33    -- -104.00  61.00 -30.00   54
 10  ω    -24.00  35.00   0.50    0.08    --  -41.30  19.00  90.00  118
 11  ω    -63.00 -37.00   0.50    0.33    -- -104.00  61.00 120.00   52
 12  ω   -117.00 -80.00   0.50    0.33    -- -104.00 134.00 176.00   74
 13  ω    -68.00 -42.00   0.50    0.33    -- -104.00 134.00 176.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0577347000
_diffrn_orient_matrix_UB_12      0.0383179000
_diffrn_orient_matrix_UB_13      -0.0416824000
_diffrn_orient_matrix_UB_21      -0.0437263000
_diffrn_orient_matrix_UB_22      -0.0088705000
_diffrn_orient_matrix_UB_23      -0.0548166000
_diffrn_orient_matrix_UB_31      0.0004783000
_diffrn_orient_matrix_UB_32      0.0609275000
_diffrn_orient_matrix_UB_33      0.0182507000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4397
_reflns_number_total             4922
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.822
_refine_diff_density_min         -0.951
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         4922
_refine_ls_number_restraints     184
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0379
_refine_ls_restrained_S_all      1.062
_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)+(0.0553P)²+89.2830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1049
_refine_ls_wR_factor_ref         0.1076
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(S1) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C8(H8), C10(H10), C7(H7), C11(H11)
4.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C)
;
_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 0.39964(2) 0.65809(2) 0.56900(2) 0.02966(11) Uani 1 1 d . U . . .
Ag2 Ag 0.50599(2) 0.73369(2) 0.66401(2) 0.03862(12) Uani 1 1 d . U . . .
S1 S 0.32011(5) 0.54730(4) 0.58970(5) 0.0285(2) Uani 1 1 d . U . . .
O2 O 0.51744(15) 0.65394(15) 0.58740(17) 0.0383(7) Uani 1 1 d . U . . .
O1 O 0.47026(15) 0.65065(16) 0.49723(16) 0.0395(7) Uani 1 1 d . U . . .
F1 F 0.5362(2) 0.5806(2) 0.4770(2) 0.0827(13) Uani 1 1 d . U . . .
F3 F 0.60974(18) 0.6517(3) 0.5282(2) 0.0909(15) Uani 1 1 d . U . . .
C12 C 0.8116(2) 0.8898(2) 0.6629(2) 0.0374(9) Uani 1 1 d . U . . .
C9 C 0.7445(2) 0.8538(2) 0.6640(2) 0.0365(9) Uani 1 1 d . U . . .
C14 C 0.93470(19) 0.9610(2) 0.6633(2) 0.0319(9) Uani 1 1 d . U . . .
N1 N 0.61292(17) 0.78643(19) 0.6663(2) 0.0395(9) Uani 1 1 d . U . . .
C15 C 0.9736(2) 0.93479(19) 0.6636(2) 0.0317(9) Uani 1 1 d . U . . .
H15 H 0.956014 0.891340 0.664105 0.038 Uiso 1 1 calc R U . . .
C2 C 0.2540(2) 0.4355(2) 0.5263(2) 0.0405(10) Uani 1 1 d . U . . .
H2A H 0.253041 0.415152 0.564527 0.061 Uiso 1 1 calc R U . . .
H2B H 0.250543 0.408863 0.492239 0.061 Uiso 1 1 calc R U . . .
H2C H 0.219490 0.443450 0.525178 0.061 Uiso 1 1 calc R U . . .
F2 F 0.5782(2) 0.6725(3) 0.4427(3) 0.0998(15) Uani 1 1 d . U . . .
C13 C 0.8677(2) 0.9217(2) 0.6631(2) 0.0348(9) Uani 1 1 d . U . . .
C8 C 0.7112(2) 0.7921(2) 0.6441(3) 0.0431(11) Uani 1 1 d . U . . .
H8 H 0.732344 0.771934 0.630021 0.052 Uiso 1 1 calc R U . . .
C1 C 0.3152(2) 0.4970(2) 0.5215(2) 0.0328(9) Uani 1 1 d . U . . .
C10 C 0.7100(2) 0.8812(2) 0.6858(3) 0.0439(11) Uani 1 1 d . U . . .
H10 H 0.730603 0.922421 0.700160 0.053 Uiso 1 1 calc R U . . .
C3 C 0.3184(2) 0.5327(2) 0.4622(2) 0.0393(10) Uani 1 1 d . U . . .
H3A H 0.282825 0.538936 0.460480 0.059 Uiso 1 1 calc R U . . .
H3B H 0.317969 0.508825 0.426870 0.059 Uiso 1 1 calc R U . . .
H3C H 0.356430 0.572776 0.462178 0.059 Uiso 1 1 calc R U . . .
C4 C 0.3708(2) 0.4858(2) 0.5256(3) 0.0427(11) Uani 1 1 d . U . . .
H4A H 0.409296 0.525434 0.523927 0.064 Uiso 1 1 calc R U . . .
H4B H 0.369320 0.459958 0.491647 0.064 Uiso 1 1 calc R U . . .
H4C H 0.368796 0.465121 0.563938 0.064 Uiso 1 1 calc R U . . .
C7 C 0.6456(2) 0.7603(2) 0.6455(3) 0.0417(10) Uani 1 1 d . U . . .
H7 H 0.623767 0.719123 0.631165 0.050 Uiso 1 1 calc R U . . .
C5 C 0.5112(2) 0.6496(2) 0.5303(3) 0.0381(10) Uani 1 1 d . U . . .
C11 C 0.6457(2) 0.8465(3) 0.6859(3) 0.0453(11) Uani 1 1 d . U . . .
H11 H 0.623458 0.865454 0.700177 0.054 Uiso 1 1 calc R U . . .
C6 C 0.5600(3) 0.6394(3) 0.4946(3) 0.0567(13) Uani 1 1 d . 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 Ag1 3.0195(5) 2_665 ?
Ag1 Ag1 3.0195(5) 3_565 ?
Ag1 Ag2 3.2286(5) 14_456 ?
Ag1 Ag2 3.1039(5) . ?
Ag1 S1 2.4708(10) . ?
Ag1 S1 2.4829(10) 2_665 ?
Ag1 O1 2.401(3) . ?
Ag2 S1 2.5087(11) 15_556 ?
Ag2 S1 2.5439(10) 2_665 ?
Ag2 N1 2.275(4) . ?
S1 C1 1.888(4) . ?
O2 C5 1.240(6) . ?
O1 C5 1.245(6) . ?
F1 C6 1.314(7) . ?
F3 C6 1.320(7) . ?
C12 C9 1.429(6) . ?
C12 C13 1.199(7) . ?
C9 C8 1.381(7) . ?
C9 C10 1.400(7) . ?
C14 C15 1.393(6) . ?
C14 C15 1.400(6) 3_675 ?
C14 C13 1.431(6) . ?
N1 C7 1.331(7) . ?
N1 C11 1.348(7) . ?
C15 H15 0.9300 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C2 C1 1.510(6) . ?
F2 C6 1.325(8) . ?
C8 H8 0.9300 . ?
C8 C7 1.396(7) . ?
C1 C3 1.531(7) . ?
C1 C4 1.524(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.370(7) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C7 H7 0.9300 . ?
C5 C6 1.549(7) . ?
C11 H11 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
Ag1 Ag1 Ag1 60.0 2_665 3_565 ?
Ag1 Ag1 Ag2 132.757(9) 2_665 14_456 ?
Ag1 Ag1 Ag2 94.712(12) 3_565 14_456 ?
Ag1 Ag1 Ag2 134.928(9) 3_565 . ?
Ag1 Ag1 Ag2 97.718(12) 2_665 . ?
Ag2 Ag1 Ag2 71.577(7) . 14_456 ?
S1 Ag1 Ag1 111.50(2) . 2_665 ?
S1 Ag1 Ag1 52.26(2) 2_665 2_665 ?
S1 Ag1 Ag1 52.62(2) . 3_565 ?
S1 Ag1 Ag1 111.15(2) 2_665 3_565 ?
S1 Ag1 Ag2 121.56(3) 2_665 14_456 ?
S1 Ag1 Ag2 52.76(2) 2_665 . ?
S1 Ag1 Ag2 120.30(3) . . ?
S1 Ag1 Ag2 50.09(2) . 14_456 ?
S1 Ag1 S1 153.44(5) . 2_665 ?
O1 Ag1 Ag1 131.91(8) . 3_565 ?
O1 Ag1 Ag1 130.85(8) . 2_665 ?
O1 Ag1 Ag2 96.12(8) . 14_456 ?
O1 Ag1 Ag2 92.80(8) . . ?
O1 Ag1 S1 102.33(8) . 2_665 ?
O1 Ag1 S1 103.68(9) . . ?
Ag1 Ag2 Ag1 92.272(14) . 15_556 ?
S1 Ag2 Ag1 87.76(3) 15_556 . ?
S1 Ag2 Ag1 49.07(2) 15_556 15_556 ?
S1 Ag2 Ag1 84.49(3) 2_665 15_556 ?
S1 Ag2 Ag1 50.99(2) 2_665 . ?
S1 Ag2 S1 118.27(5) 15_556 2_665 ?
N1 Ag2 Ag1 129.23(11) . 15_556 ?
N1 Ag2 Ag1 137.85(11) . . ?
N1 Ag2 S1 123.06(11) . 15_556 ?
N1 Ag2 S1 117.64(11) . 2_665 ?
Ag1 S1 Ag1 75.12(3) . 3_565 ?
Ag1 S1 Ag2 134.21(4) 3_565 14_456 ?
Ag1 S1 Ag2 76.25(3) 3_565 3_565 ?
Ag1 S1 Ag2 80.84(3) . 14_456 ?
Ag1 S1 Ag2 133.76(4) . 3_565 ?
Ag2 S1 Ag2 94.31(4) 14_456 3_565 ?
C1 S1 Ag1 109.64(15) . . ?
C1 S1 Ag1 110.25(14) . 3_565 ?
C1 S1 Ag2 114.03(15) . 3_565 ?
C1 S1 Ag2 114.38(14) . 14_456 ?
C5 O1 Ag1 104.6(3) . . ?
C13 C12 C9 177.7(5) . . ?
C8 C9 C12 122.7(4) . . ?
C8 C9 C10 117.7(4) . . ?
C10 C9 C12 119.7(4) . . ?
C15 C14 C15 119.8(4) . 3_675 ?
C15 C14 C13 119.5(4) 3_675 . ?
C15 C14 C13 120.7(4) . . ?
C7 N1 Ag2 121.4(3) . . ?
C7 N1 C11 117.3(4) . . ?
C11 N1 Ag2 121.2(3) . . ?
C14 C15 C14 120.2(4) . 2_765 ?
C14 C15 H15 119.9 . . ?
C14 C15 H15 119.9 2_765 . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
C12 C13 C14 178.7(5) . . ?
C9 C8 H8 120.3 . . ?
C9 C8 C7 119.4(5) . . ?
C7 C8 H8 120.3 . . ?
C2 C1 S1 107.9(3) . . ?
C2 C1 C3 111.8(4) . . ?
C2 C1 C4 110.5(4) . . ?
C3 C1 S1 108.0(3) . . ?
C4 C1 S1 107.5(3) . . ?
C4 C1 C3 111.0(4) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 C9 119.2(5) . . ?
C11 C10 H10 120.4 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C7 C8 122.9(5) . . ?
N1 C7 H7 118.5 . . ?
C8 C7 H7 118.5 . . ?
O2 C5 O1 129.5(4) . . ?
O2 C5 C6 116.0(5) . . ?
O1 C5 C6 114.5(5) . . ?
N1 C11 C10 123.5(5) . . ?
N1 C11 H11 118.2 . . ?
C10 C11 H11 118.2 . . ?
F1 C6 F3 105.3(5) . . ?
F1 C6 F2 104.9(6) . . ?
F1 C6 C5 111.5(5) . . ?
F3 C6 F2 109.7(5) . . ?
F3 C6 C5 113.0(5) . . ?
F2 C6 C5 111.9(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 S1 C1 C2 -162.4(3) . . . . ?
Ag1 S1 C1 C2 -81.5(3) 3_565 . . . ?
Ag1 S1 C1 C3 39.5(3) 3_565 . . . ?
Ag1 S1 C1 C3 -41.3(3) . . . . ?
Ag1 S1 C1 C4 159.4(3) 3_565 . . . ?
Ag1 S1 C1 C4 78.5(3) . . . . ?
Ag1 O1 C5 O2 -2.7(6) . . . . ?
Ag1 O1 C5 C6 175.2(4) . . . . ?
Ag2 S1 C1 C2 109.0(3) 14_456 . . . ?
Ag2 S1 C1 C2 2.0(4) 3_565 . . . ?
Ag2 S1 C1 C3 123.1(3) 3_565 . . . ?
Ag2 S1 C1 C3 -130.0(3) 14_456 . . . ?
Ag2 S1 C1 C4 -117.1(3) 3_565 . . . ?
Ag2 S1 C1 C4 -10.1(4) 14_456 . . . ?
Ag2 N1 C7 C8 177.7(4) . . . . ?
Ag2 N1 C11 C10 -177.3(4) . . . . ?
O2 C5 C6 F1 103.1(6) . . . . ?
O2 C5 C6 F3 -15.3(7) . . . . ?
O2 C5 C6 F2 -139.7(5) . . . . ?
O1 C5 C6 F1 -75.2(7) . . . . ?
O1 C5 C6 F3 166.5(5) . . . . ?
O1 C5 C6 F2 42.0(7) . . . . ?
C12 C9 C8 C7 -178.7(5) . . . . ?
C12 C9 C10 C11 179.1(5) . . . . ?
C9 C8 C7 N1 -1.3(9) . . . . ?
C9 C10 C11 N1 0.5(9) . . . . ?
C15 C14 C15 C14 -1.0(9) 3_675 . . 2_765 ?
C13 C14 C15 C14 179.4(3) . . . 2_765 ?
C8 C9 C10 C11 -0.8(8) . . . . ?
C10 C9 C8 C7 1.2(8) . . . . ?
C7 N1 C11 C10 -0.6(8) . . . . ?
C11 N1 C7 C8 0.9(8) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 705 electrons were 
found in a volume of 4622Å³ in 1 void per unit cell. 
This is consistent with the presence of 
0.551[C2H5OH] per Unit Cell 
which account for 702 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.083 -0.981 -0.255 4621.6 705.2 '27 C2H5OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.830
_oxdiff_exptl_absorpt_empirical_full_min 0.743
