# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_ag14-dcbdt
_audit_block_doi                 10.5517/ccdc.csd.cc2lkzsy
_database_code_depnum_ccdc_archive 'CCDC 2400571'
loop_
_audit_author_name
_audit_author_address
'Jin-Sen Yang'
;Henan Polytechnic University
China
;
_audit_update_record             
;
2024-11-09 deposited with the CCDC.	2025-01-05 downloaded from the CCDC.
;
_audit_creation_date             2024-11-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '1(C216 H180 Ag14 N12 P8 S12)'
_chemical_formula_sum            'C216 H180 Ag14 N12 P8 S12'
_chemical_formula_weight         5086.27
_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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   20.6758(5)
_cell_length_b                   20.6758(5)
_cell_length_c                   44.3240(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     16409.4(9)
_cell_formula_units_Z            3.00006
_cell_measurement_reflns_used    6278
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      72.5960
_cell_measurement_theta_min      2.6860
_shelx_estimated_absorpt_T_max   0.589
_shelx_estimated_absorpt_T_min   0.589
_exptl_absorpt_coefficient_mu    11.830
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64998
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear orangish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7590
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            16452
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.623
_diffrn_reflns_theta_min         2.661
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -88.00 -27.00   0.50    0.50    --    0.00 -38.00-120.00  122
  2  ω     -9.00  25.00   0.50    0.50    --    0.00 -38.00-120.00   68
  3  ω     63.00 188.00   0.50   10.00    --   98.80  82.00-150.00  250
  4  ω    114.00 178.00   0.50   10.00    --   98.80  45.00  90.00  128
  5  ω     92.00 148.00   0.50   10.00    --   98.80  45.00 120.00  112
  6  ω     17.00 125.00   0.50   10.00    --   98.80 -61.00 -60.00  216
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0847788000
_diffrn_orient_matrix_UB_12      -0.0427862000
_diffrn_orient_matrix_UB_13      -0.0059341000
_diffrn_orient_matrix_UB_21      0.0084400000
_diffrn_orient_matrix_UB_22      0.0636680000
_diffrn_orient_matrix_UB_23      -0.0206546000
_diffrn_orient_matrix_UB_31      0.0119589000
_diffrn_orient_matrix_UB_32      -0.0390065000
_diffrn_orient_matrix_UB_33      -0.0272938000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5115
_reflns_number_total             7104
_reflns_odcompleteness_completeness 99.40
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.228
_refine_diff_density_min         -0.911
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         7104
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0972
_refine_ls_R_factor_gt           0.0801
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.1128P)²+100.4339P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2241
_refine_ls_wR_factor_ref         0.2374
_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. Uiso/Uaniso restraints and constraints
Uanis(S2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C22) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C28)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C25) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(Ag3)=1-FVAR(1)
 Sof(Ag4)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C10(H10), C13(H13), C14(H14), C17(H17), C18(H18), C19(H19),
 C20(H20), C21(H21), C22(H22), C23(H23), C26(H26), C28(H28), C29(H29), C30(H30),
  C34(H34), C35(H35)
4.b Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C36(H36A,H36B,
 H36C)
;
_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 0.34907(4) 0.49143(4) 0.69704(2) 0.0975(3) Uani 1 1 d . . . . .
Ag2 Ag 0.3333 0.6667 0.58022(3) 0.1201(5) Uani 1 3 d S T P A .
Ag3 Ag 0.34050(13) 0.59412(12) 0.6476(3) 0.0978(15) Uani 0.557(18) 1 d . . . A
2
Ag4 Ag 0.34083(17) 0.59355(15) 0.6321(3) 0.0896(13) Uani 0.443(18) 1 d . . . A
1
S1 S 0.40535(12) 0.52366(12) 0.64531(5) 0.0884(6) Uani 1 1 d . . . . .
S2 S 0.26659(13) 0.51378(16) 0.59838(8) 0.1242(10) Uani 1 1 d . U . . .
P1 P 0.30382(12) 0.37196(12) 0.72216(4) 0.0806(5) Uani 1 1 d . . . . .
P2 P 0.3333 0.6667 0.52407(10) 0.1079(13) Uani 1 3 d S T P A .
N1 N 0.2139(7) 0.2254(8) 0.5413(3) 0.165(5) Uani 1 1 d . . . . .
N2 N 0.3817(9) 0.2434(8) 0.5934(3) 0.181(6) Uani 1 1 d . . . . .
C1 C 0.2325(5) 0.4116(5) 0.76401(18) 0.092(2) Uani 1 1 d . . . . .
H1 H 0.2718 0.4604 0.7593 0.110 Uiso 1 1 calc R . . . .
C2 C 0.2298(5) 0.3524(5) 0.74956(17) 0.086(2) Uani 1 1 d . . . . .
C3 C 0.3739(5) 0.3986(5) 0.61703(17) 0.090(2) Uani 1 1 d . . . . .
H3 H 0.4131 0.4017 0.6292 0.107 Uiso 1 1 calc R . . . .
C4 C 0.2971(5) 0.4481(5) 0.60012(19) 0.091(2) Uani 1 1 d . . . . .
C5 C 0.2662(5) 0.2924(5) 0.6974(2) 0.094(2) Uani 1 1 d . . . . .
C6 C 0.3768(5) 0.3672(4) 0.74359(18) 0.088(2) Uani 1 1 d . . . . .
C7 C 0.3371(6) 0.3383(6) 0.59694(19) 0.102(3) Uani 1 1 d . . . . .
C8 C 0.3547(5) 0.4527(5) 0.61949(17) 0.088(2) Uani 1 1 d . . . . .
C9 C 0.2798(5) 0.3332(6) 0.57831(18) 0.097(2) Uani 1 1 d . . . . .
C10 C 0.2294(6) 0.2944(6) 0.6717(2) 0.106(3) Uani 1 1 d . . . . .
H10 H 0.2236 0.3364 0.6679 0.127 Uiso 1 1 calc R . . . .
C11 C 0.2047(6) 0.7783(7) 0.4867(3) 0.117(3) Uani 1 1 d . . . . .
C12 C 0.1246(6) 0.3345(7) 0.7931(2) 0.105(3) Uani 1 1 d . . . . .
C13 C 0.2608(5) 0.3878(6) 0.58012(19) 0.097(2) Uani 1 1 d . . . . .
H13 H 0.2222 0.3848 0.5675 0.117 Uiso 1 1 calc R . . . .
C14 C 0.1804(6) 0.4036(7) 0.78519(18) 0.104(3) Uani 1 1 d . . . . .
H14 H 0.1834 0.4466 0.7943 0.124 Uiso 1 1 calc R . . . .
C15 C 0.2836(6) 0.7090(6) 0.5082(2) 0.105(3) Uani 1 1 d . . . . .
C16 C 0.2426(7) 0.2718(8) 0.5577(3) 0.123(3) Uani 1 1 d . . . . .
C17 C 0.4410(5) 0.3794(6) 0.7292(2) 0.104(3) Uani 1 1 d . . . . .
H17 H 0.4460 0.3884 0.7081 0.125 Uiso 1 1 calc R . . . .
C18 C 0.2499(7) 0.8047(7) 0.5101(2) 0.124(3) Uani 1 1 d . . . . .
H18 H 0.2562 0.8484 0.5198 0.149 Uiso 1 1 calc R . . . .
C19 C 0.3741(6) 0.3576(6) 0.7747(2) 0.110(3) Uani 1 1 d . . . . .
H19 H 0.3324 0.3525 0.7858 0.133 Uiso 1 1 calc R . . . .
C20 C 0.1203(6) 0.2732(7) 0.7786(2) 0.115(3) Uani 1 1 d . . . . .
H20 H 0.0809 0.2245 0.7834 0.138 Uiso 1 1 calc R . . . .
C21 C 0.4989(6) 0.3788(6) 0.7451(3) 0.125(3) Uani 1 1 d . . . . .
H21 H 0.5434 0.3896 0.7347 0.150 Uiso 1 1 calc R . . . .
C22 C 0.2008(7) 0.2350(7) 0.6514(3) 0.125(3) Uani 1 1 d . U . . .
H22 H 0.1733 0.2367 0.6345 0.150 Uiso 1 1 calc R . . . .
C23 C 0.2899(7) 0.7697(7) 0.5213(2) 0.121(3) Uani 1 1 d . . . . .
H23 H 0.3214 0.7903 0.5384 0.145 Uiso 1 1 calc R . . . .
C24 C 0.4931(6) 0.3632(6) 0.7751(3) 0.108(3) Uani 1 1 d . . . . .
C25 C 0.0683(7) 0.3245(8) 0.8174(2) 0.141(4) Uani 1 1 d . U . . .
H25A H 0.0898 0.3269 0.8373 0.211 Uiso 1 1 calc GR . . . .
H25B H 0.0229 0.2759 0.8148 0.211 Uiso 1 1 calc GR . . . .
H25C H 0.0559 0.3643 0.8156 0.211 Uiso 1 1 calc GR . . . .
C26 C 0.1727(5) 0.2820(6) 0.7571(2) 0.105(3) Uani 1 1 d . . . . .
H26 H 0.1694 0.2394 0.7474 0.126 Uiso 1 1 calc R . . . .
C27 C 0.3615(9) 0.2849(8) 0.5954(3) 0.140(5) Uani 1 1 d . . . . .
C28 C 0.2746(7) 0.2311(7) 0.7013(3) 0.130(4) Uani 1 1 d . U . . .
H28 H 0.3002 0.2279 0.7185 0.156 Uiso 1 1 calc R . . . .
C29 C 0.4323(7) 0.3555(7) 0.7898(3) 0.129(4) Uani 1 1 d . . . . .
H29 H 0.4290 0.3484 0.8110 0.154 Uiso 1 1 calc R . . . .
C30 C 0.2000(10) 0.7174(9) 0.4731(4) 0.174(6) Uani 1 1 d . . . . .
H30 H 0.1703 0.6987 0.4554 0.209 Uiso 1 1 calc R . . . .
C31 C 0.2099(9) 0.1762(8) 0.6543(3) 0.147(4) Uani 1 1 d . U . . .
C32 C 0.5536(7) 0.3581(7) 0.7917(3) 0.149(5) Uani 1 1 d . . . . .
H32A H 0.5415 0.3058 0.7925 0.223 Uiso 1 1 calc GR . . . .
H32B H 0.5575 0.3771 0.8123 0.223 Uiso 1 1 calc GR . . . .
H32C H 0.6012 0.3880 0.7812 0.223 Uiso 1 1 calc GR . . . .
C33 C 0.1627(8) 0.8151(10) 0.4772(4) 0.166(6) Uani 1 1 d . . . . .
H33A H 0.1188 0.7984 0.4901 0.248 Uiso 1 1 calc GR . . . .
H33B H 0.1467 0.8019 0.4561 0.248 Uiso 1 1 calc GR . . . .
H33C H 0.1947 0.8694 0.4789 0.248 Uiso 1 1 calc GR . . . .
C34 C 0.2366(9) 0.6810(8) 0.4839(3) 0.158(5) Uani 1 1 d . . . . .
H34 H 0.2290 0.6366 0.4743 0.190 Uiso 1 1 calc R . . . .
C35 C 0.2453(9) 0.1729(8) 0.6799(4) 0.156(5) Uani 1 1 d . U . . .
H35 H 0.2504 0.1302 0.6833 0.187 Uiso 1 1 calc R . . . .
C36 C 0.1791(11) 0.1119(11) 0.6319(4) 0.205(7) Uani 1 1 d . U . . .
H36A H 0.1277 0.0978 0.6266 0.308 Uiso 1 1 calc GR . . . .
H36B H 0.1797 0.0689 0.6409 0.308 Uiso 1 1 calc GR . . . .
H36C H 0.2101 0.1274 0.6136 0.308 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag3 3.117(8) . ?
Ag1 Ag3 3.330(2) 14_456 ?
Ag1 Ag3 3.352(4) 15_556 ?
Ag1 Ag4 3.323(4) 15_556 ?
Ag1 Ag4 3.291(3) 14_456 ?
Ag1 S1 2.506(2) . ?
Ag1 S2 2.590(3) 15_556 ?
Ag1 P1 2.430(2) . ?
Ag2 Ag3 3.379(11) 2_665 ?
Ag2 Ag3 3.379(11) . ?
Ag2 Ag3 3.379(11) 3_565 ?
Ag2 Ag4 2.799(9) . ?
Ag2 Ag4 2.799(9) 3_565 ?
Ag2 Ag4 2.799(9) 2_665 ?
Ag2 S2 2.860(3) 3_565 ?
Ag2 S2 2.860(3) . ?
Ag2 S2 2.860(3) 2_665 ?
Ag2 P2 2.489(4) . ?
Ag3 Ag1 3.352(4) 14_456 ?
Ag3 Ag1 3.330(2) 15_556 ?
Ag3 Ag3 2.736(4) 2_665 ?
Ag3 Ag3 2.736(4) 3_565 ?
Ag3 Ag3 2.313(18) 14_456 ?
Ag3 Ag3 2.313(18) 15_556 ?
Ag3 S1 2.426(3) . ?
Ag3 S2 2.705(11) . ?
Ag4 Ag1 3.291(3) 15_556 ?
Ag4 Ag1 3.323(3) 14_456 ?
Ag4 Ag4 2.763(5) 3_565 ?
Ag4 Ag4 2.763(5) 2_665 ?
Ag4 S1 2.477(4) . ?
Ag4 S2 2.187(8) . ?
S1 C8 1.739(10) . ?
S2 Ag1 2.590(3) 14_456 ?
S2 C4 1.762(9) . ?
P1 C2 1.834(9) . ?
P1 C5 1.799(9) . ?
P1 C6 1.826(9) . ?
P2 C15 1.794(11) . ?
P2 C15 1.794(11) 2_665 ?
P2 C15 1.794(11) 3_565 ?
N1 C16 1.111(14) . ?
N2 C27 1.129(14) . ?
C1 H1 0.9500 . ?
C1 C2 1.358(12) . ?
C1 C14 1.374(12) . ?
C2 C26 1.379(12) . ?
C3 H3 0.9500 . ?
C3 C7 1.406(13) . ?
C3 C8 1.365(12) . ?
C4 C8 1.433(12) . ?
C4 C13 1.402(13) . ?
C5 C10 1.380(13) . ?
C5 C28 1.374(14) . ?
C6 C17 1.379(12) . ?
C6 C19 1.390(12) . ?
C7 C9 1.404(13) . ?
C7 C27 1.429(15) . ?
C9 C13 1.370(13) . ?
C9 C16 1.435(16) . ?
C10 H10 0.9500 . ?
C10 C22 1.394(14) . ?
C11 C18 1.317(15) . ?
C11 C30 1.354(19) . ?
C11 C33 1.474(17) . ?
C12 C14 1.360(15) . ?
C12 C20 1.385(15) . ?
C12 C25 1.521(14) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C23 1.329(14) . ?
C15 C34 1.372(15) . ?
C17 H17 0.9500 . ?
C17 C21 1.393(14) . ?
C18 H18 0.9500 . ?
C18 C23 1.432(16) . ?
C19 H19 0.9500 . ?
C19 C29 1.396(14) . ?
C20 H20 0.9500 . ?
C20 C26 1.385(14) . ?
C21 H21 0.9500 . ?
C21 C24 1.361(16) . ?
C22 H22 0.9500 . ?
C22 C31 1.326(17) . ?
C23 H23 0.9500 . ?
C24 C29 1.353(16) . ?
C24 C32 1.500(14) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 0.9500 . ?
C28 H28 0.9500 . ?
C28 C35 1.410(17) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C30 C34 1.391(19) . ?
C31 C35 1.369(19) . ?
C31 C36 1.52(2) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?

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
Ag3 Ag1 Ag3 48.33(8) 14_456 15_556 ?
Ag3 Ag1 Ag3 41.7(3) . 15_556 ?
Ag3 Ag1 Ag3 41.9(3) . 14_456 ?
Ag4 Ag1 Ag4 49.37(9) 14_456 15_556 ?
S1 Ag1 Ag3 49.66(14) . . ?
S1 Ag1 Ag3 72.21(19) . 15_556 ?
S1 Ag1 Ag3 91.4(2) . 14_456 ?
S1 Ag1 Ag4 102.49(19) . 14_456 ?
S1 Ag1 Ag4 83.04(19) . 15_556 ?
S1 Ag1 S2 112.22(9) . 15_556 ?
S2 Ag1 Ag3 93.72(17) 15_556 . ?
S2 Ag1 Ag3 52.3(2) 15_556 15_556 ?
S2 Ag1 Ag3 79.71(16) 15_556 14_456 ?
S2 Ag1 Ag4 41.1(2) 15_556 15_556 ?
S2 Ag1 Ag4 71.80(15) 15_556 14_456 ?
P1 Ag1 Ag3 152.91(12) . . ?
P1 Ag1 Ag3 161.3(2) . 15_556 ?
P1 Ag1 Ag3 128.70(12) . 14_456 ?
P1 Ag1 Ag4 149.5(2) . 15_556 ?
P1 Ag1 Ag4 122.19(13) . 14_456 ?
P1 Ag1 S1 125.53(8) . . ?
P1 Ag1 S2 110.31(9) . 15_556 ?
Ag3 Ag2 Ag3 47.76(17) 3_565 . ?
Ag3 Ag2 Ag3 47.76(17) 3_565 2_665 ?
Ag3 Ag2 Ag3 47.76(17) 2_665 . ?
Ag4 Ag2 Ag4 59.1(2) 2_665 . ?
Ag4 Ag2 Ag4 59.1(2) 3_565 2_665 ?
Ag4 Ag2 Ag4 59.1(2) 3_565 . ?
Ag4 Ag2 S2 76.27(9) 3_565 . ?
Ag4 Ag2 S2 45.44(12) 2_665 2_665 ?
Ag4 Ag2 S2 76.27(9) 2_665 3_565 ?
Ag4 Ag2 S2 104.20(16) 2_665 . ?
Ag4 Ag2 S2 76.27(9) . 2_665 ?
Ag4 Ag2 S2 45.44(12) . . ?
Ag4 Ag2 S2 45.44(12) 3_565 3_565 ?
Ag4 Ag2 S2 104.20(16) 3_565 2_665 ?
Ag4 Ag2 S2 104.20(16) . 3_565 ?
S2 Ag2 Ag3 75.38(9) 3_565 2_665 ?
S2 Ag2 Ag3 98.13(12) 3_565 . ?
S2 Ag2 Ag3 50.55(12) 3_565 3_565 ?
S2 Ag2 Ag3 98.14(12) . 2_665 ?
S2 Ag2 Ag3 50.55(12) . . ?
S2 Ag2 Ag3 50.55(12) 2_665 2_665 ?
S2 Ag2 Ag3 75.38(9) 2_665 . ?
S2 Ag2 Ag3 98.14(12) 2_665 3_565 ?
S2 Ag2 Ag3 75.38(9) . 3_565 ?
S2 Ag2 S2 112.41(7) 3_565 . ?
S2 Ag2 S2 112.41(7) 3_565 2_665 ?
S2 Ag2 S2 112.41(7) . 2_665 ?
P2 Ag2 Ag3 152.13(10) . . ?
P2 Ag2 Ag3 152.13(11) . 2_665 ?
P2 Ag2 Ag3 152.13(11) . 3_565 ?
P2 Ag2 Ag4 145.27(15) . 2_665 ?
P2 Ag2 Ag4 145.27(14) . . ?
P2 Ag2 Ag4 145.27(14) . 3_565 ?
P2 Ag2 S2 106.34(8) . 3_565 ?
P2 Ag2 S2 106.34(8) . 2_665 ?
P2 Ag2 S2 106.34(8) . . ?
Ag1 Ag3 Ag1 159.5(3) 15_556 14_456 ?
Ag1 Ag3 Ag1 91.94(11) . 14_456 ?
Ag1 Ag3 Ag1 92.36(14) . 15_556 ?
Ag1 Ag3 Ag2 84.8(2) 14_456 . ?
Ag1 Ag3 Ag2 162.5(3) . . ?
Ag1 Ag3 Ag2 85.12(18) 15_556 . ?
Ag3 Ag3 Ag1 74.6(5) 15_556 . ?
Ag3 Ag3 Ag1 63.71(16) 14_456 14_456 ?
Ag3 Ag3 Ag1 66.25(11) 2_665 15_556 ?
Ag3 Ag3 Ag1 74.0(4) 14_456 . ?
Ag3 Ag3 Ag1 65.41(9) 3_565 14_456 ?
Ag3 Ag3 Ag1 128.33(17) 2_665 . ?
Ag3 Ag3 Ag1 136.2(5) 15_556 14_456 ?
Ag3 Ag3 Ag1 127.71(11) 3_565 . ?
Ag3 Ag3 Ag1 124.66(10) 2_665 14_456 ?
Ag3 Ag3 Ag1 64.13(12) 15_556 15_556 ?
Ag3 Ag3 Ag1 136.6(5) 14_456 15_556 ?
Ag3 Ag3 Ag1 125.49(9) 3_565 15_556 ?
Ag3 Ag3 Ag2 66.12(9) 2_665 . ?
Ag3 Ag3 Ag2 119.1(3) 14_456 . ?
Ag3 Ag3 Ag2 119.1(3) 15_556 . ?
Ag3 Ag3 Ag2 66.12(9) 3_565 . ?
Ag3 Ag3 Ag3 53.7(3) 14_456 3_565 ?
Ag3 Ag3 Ag3 72.5(6) 15_556 14_456 ?
Ag3 Ag3 Ag3 53.7(3) 15_556 2_665 ?
Ag3 Ag3 Ag3 90.0 15_556 3_565 ?
Ag3 Ag3 Ag3 89.999(1) 14_456 2_665 ?
Ag3 Ag3 Ag3 60.0 2_665 3_565 ?
Ag3 Ag3 S1 95.9(3) 15_556 . ?
Ag3 Ag3 S1 125.6(5) 14_456 . ?
Ag3 Ag3 S2 173.2(5) 15_556 . ?
Ag3 Ag3 S2 112.6(3) 14_456 . ?
S1 Ag3 Ag1 60.06(7) . 15_556 ?
S1 Ag3 Ag1 108.23(13) . 14_456 ?
S1 Ag3 Ag1 51.95(14) . . ?
S1 Ag3 Ag2 112.9(4) . . ?
S1 Ag3 Ag3 173.5(2) . 3_565 ?
S1 Ag3 Ag3 126.00(15) . 2_665 ?
S1 Ag3 S2 84.8(2) . . ?
S2 Ag3 Ag1 49.23(10) . 14_456 ?
S2 Ag3 Ag1 110.8(3) . 15_556 ?
S2 Ag3 Ag1 110.84(9) . . ?
S2 Ag3 Ag2 54.7(2) . . ?
S2 Ag3 Ag3 89.68(10) . 3_565 ?
S2 Ag3 Ag3 120.60(14) . 2_665 ?
Ag1 Ag4 Ag1 167.7(2) 15_556 14_456 ?
Ag2 Ag4 Ag1 95.29(15) . 14_456 ?
Ag2 Ag4 Ag1 96.0(2) . 15_556 ?
Ag4 Ag4 Ag1 124.61(13) 2_665 14_456 ?
Ag4 Ag4 Ag1 65.91(13) 2_665 15_556 ?
Ag4 Ag4 Ag1 64.72(12) 3_565 14_456 ?
Ag4 Ag4 Ag1 125.80(12) 3_565 15_556 ?
Ag4 Ag4 Ag2 60.43(12) 3_565 . ?
Ag4 Ag4 Ag2 60.43(12) 2_665 . ?
Ag4 Ag4 Ag4 60.0 2_665 3_565 ?
S1 Ag4 Ag1 60.38(8) . 15_556 ?
S1 Ag4 Ag1 107.79(15) . 14_456 ?
S1 Ag4 Ag2 134.5(4) . . ?
S1 Ag4 Ag4 165.1(3) . 3_565 ?
S1 Ag4 Ag4 124.97(16) . 2_665 ?
S2 Ag4 Ag1 51.17(10) . 14_456 ?
S2 Ag4 Ag1 129.6(4) . 15_556 ?
S2 Ag4 Ag2 68.8(3) . . ?
S2 Ag4 Ag4 128.57(17) . 2_665 ?
S2 Ag4 Ag4 89.07(15) . 3_565 ?
S2 Ag4 S1 95.80(17) . . ?
Ag3 S1 Ag1 78.4(3) . . ?
Ag4 S1 Ag1 93.3(3) . . ?
C8 S1 Ag1 112.0(3) . . ?
C8 S1 Ag3 104.7(4) . . ?
C8 S1 Ag4 93.7(3) . . ?
Ag1 S2 Ag2 112.61(11) 14_456 . ?
Ag1 S2 Ag3 78.51(16) 14_456 . ?
Ag3 S2 Ag2 74.70(15) . . ?
Ag4 S2 Ag1 87.7(3) . 14_456 ?
Ag4 S2 Ag2 65.8(2) . . ?
C4 S2 Ag1 109.0(3) . 14_456 ?
C4 S2 Ag2 134.7(3) . . ?
C4 S2 Ag3 97.4(3) . . ?
C4 S2 Ag4 99.5(4) . . ?
C2 P1 Ag1 112.5(3) . . ?
C5 P1 Ag1 114.9(3) . . ?
C5 P1 C2 105.7(4) . . ?
C5 P1 C6 105.1(4) . . ?
C6 P1 Ag1 112.6(3) . . ?
C6 P1 C2 105.3(4) . . ?
C15 P2 Ag2 113.1(3) . . ?
C15 P2 Ag2 113.1(3) 3_565 . ?
C15 P2 Ag2 113.1(3) 2_665 . ?
C15 P2 C15 105.6(3) . 2_665 ?
C15 P2 C15 105.6(3) 3_565 2_665 ?
C15 P2 C15 105.6(3) . 3_565 ?
C2 C1 H1 118.8 . . ?
C2 C1 C14 122.5(9) . . ?
C14 C1 H1 118.8 . . ?
C1 C2 P1 117.4(7) . . ?
C1 C2 C26 117.7(9) . . ?
C26 C2 P1 124.9(8) . . ?
C7 C3 H3 119.1 . . ?
C8 C3 H3 119.1 . . ?
C8 C3 C7 121.8(8) . . ?
C8 C4 S2 125.5(8) . . ?
C13 C4 S2 114.8(7) . . ?
C13 C4 C8 119.7(8) . . ?
C10 C5 P1 118.0(7) . . ?
C28 C5 P1 124.7(8) . . ?
C28 C5 C10 117.2(9) . . ?
C17 C6 P1 119.7(7) . . ?
C17 C6 C19 116.8(9) . . ?
C19 C6 P1 123.3(7) . . ?
C3 C7 C27 118.1(9) . . ?
C9 C7 C3 120.1(8) . . ?
C9 C7 C27 121.7(9) . . ?
C3 C8 S1 116.4(7) . . ?
C3 C8 C4 118.1(9) . . ?
C4 C8 S1 125.5(7) . . ?
C7 C9 C16 119.9(10) . . ?
C13 C9 C7 118.8(9) . . ?
C13 C9 C16 121.3(10) . . ?
C5 C10 H10 119.9 . . ?
C5 C10 C22 120.3(10) . . ?
C22 C10 H10 119.9 . . ?
C18 C11 C30 116.2(12) . . ?
C18 C11 C33 119.4(14) . . ?
C30 C11 C33 124.4(13) . . ?
C14 C12 C20 118.3(9) . . ?
C14 C12 C25 121.0(12) . . ?
C20 C12 C25 120.7(11) . . ?
C4 C13 H13 119.2 . . ?
C9 C13 C4 121.6(8) . . ?
C9 C13 H13 119.2 . . ?
C1 C14 H14 119.8 . . ?
C12 C14 C1 120.3(10) . . ?
C12 C14 H14 119.8 . . ?
C23 C15 P2 118.8(8) . . ?
C23 C15 C34 117.1(11) . . ?
C34 C15 P2 124.1(9) . . ?
N1 C16 C9 178.3(15) . . ?
C6 C17 H17 119.4 . . ?
C6 C17 C21 121.3(10) . . ?
C21 C17 H17 119.4 . . ?
C11 C18 H18 118.9 . . ?
C11 C18 C23 122.2(12) . . ?
C23 C18 H18 118.9 . . ?
C6 C19 H19 119.8 . . ?
C6 C19 C29 120.4(10) . . ?
C29 C19 H19 119.8 . . ?
C12 C20 H20 119.6 . . ?
C26 C20 C12 120.8(10) . . ?
C26 C20 H20 119.6 . . ?
C17 C21 H21 119.3 . . ?
C24 C21 C17 121.4(11) . . ?
C24 C21 H21 119.3 . . ?
C10 C22 H22 118.3 . . ?
C31 C22 C10 123.5(12) . . ?
C31 C22 H22 118.3 . . ?
C15 C23 C18 121.1(10) . . ?
C15 C23 H23 119.4 . . ?
C18 C23 H23 119.4 . . ?
C21 C24 C32 121.3(12) . . ?
C29 C24 C21 117.7(10) . . ?
C29 C24 C32 121.0(12) . . ?
C12 C25 H25A 109.5 . . ?
C12 C25 H25B 109.5 . . ?
C12 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C2 C26 C20 120.3(10) . . ?
C2 C26 H26 119.8 . . ?
C20 C26 H26 119.8 . . ?
N2 C27 C7 178.0(17) . . ?
C5 C28 H28 119.9 . . ?
C5 C28 C35 120.2(11) . . ?
C35 C28 H28 119.9 . . ?
C19 C29 H29 118.9 . . ?
C24 C29 C19 122.1(10) . . ?
C24 C29 H29 118.9 . . ?
C11 C30 H30 118.5 . . ?
C11 C30 C34 123.0(12) . . ?
C34 C30 H30 118.5 . . ?
C22 C31 C35 116.9(13) . . ?
C22 C31 C36 123.1(14) . . ?
C35 C31 C36 119.9(14) . . ?
C24 C32 H32A 109.5 . . ?
C24 C32 H32B 109.5 . . ?
C24 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C11 C33 H33A 109.5 . . ?
C11 C33 H33B 109.5 . . ?
C11 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C15 C34 C30 120.2(13) . . ?
C15 C34 H34 119.9 . . ?
C30 C34 H34 119.9 . . ?
C28 C35 H35 119.1 . . ?
C31 C35 C28 121.7(13) . . ?
C31 C35 H35 119.1 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.302 335.3 78.5 ?
2 0.000 0.000 0.500 16.0 0.0 ?
3 0.000 0.000 0.698 335.3 29.2 ?
4 0.333 0.667 0.968 335.3 78.5 ?
5 0.333 0.667 0.365 335.3 29.2 ?
6 0.333 0.667 0.167 16.0 0.0 ?
7 0.667 0.333 0.635 335.3 78.5 ?
8 0.667 0.333 0.032 335.3 29.2 ?
9 0.667 0.333 0.833 16.0 0.0 ?

_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 1.338
_oxdiff_exptl_absorpt_empirical_full_min 0.752
