# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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_exp_2428
_database_code_depnum_ccdc_archive 'CCDC 2095020'
_audit_update_record             
;
2021-10-21 deposited with the CCDC.	2021-11-24 downloaded from the CCDC.
;
_audit_creation_date             2021-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.18 svn.r3501 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H21 Ag2 N3 O4'
_chemical_formula_sum            'C24 H21 Ag2 N3 O4'
_chemical_formula_weight         631.18
_chemical_absolute_configuration unk
_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'
O O 0.0492 0.0322 '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        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.6317(3)
_cell_length_b                   6.9314(2)
_cell_length_c                   15.6461(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.261(3)
_cell_angle_gamma                90
_cell_volume                     1151.13(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6355
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      72.5380
_cell_measurement_theta_min      4.8360
_shelx_estimated_absorpt_T_max   0.542
_shelx_estimated_absorpt_T_min   0.336
_exptl_absorpt_coefficient_mu    13.953
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.11680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10094
_diffrn_reflns_point_group_measured_fraction_full 0.909
_diffrn_reflns_point_group_measured_fraction_max 0.880
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.865
_diffrn_reflns_theta_min         4.165
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      292(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3031
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -90.00  -8.00   0.50    4.00    --  -39.80 125.00   0.00  164
  2  ω   -111.00 -26.00   0.50    4.00    --  -39.80 -38.00-150.00  170
  3  ω   -108.00  -3.00   0.50    4.00    --  -39.80 -19.00 -90.00  210
  4  ω   -114.00 -89.00   0.50    4.00    --  -39.80-156.00 179.00   50
  5  ω      3.00  43.00   0.50    4.00    --   39.80 -99.00-180.00   80
  6  ω     44.00  75.00   0.50    4.00    --   39.80 -99.00-180.00   62
  7  ω     33.00 114.00   0.50   10.00    --  105.27-125.00-120.00  162
  8  ω     33.00 131.00   0.50   10.00    --  105.27 -61.00 -60.00  196
  9  ω     30.00  58.00   0.50   10.00    --  105.27 -95.00 -90.00   56
 10  ω    102.00 169.00   0.50   10.00    --  105.27 125.00 -90.00  134
 11  ω     89.00 117.00   0.50   10.00    --  105.27-125.00  30.00   56
 12  ω     87.00 178.00   0.50   10.00    --  105.27  77.00  60.00  182
 13  ω     84.00 176.00   0.50   10.00    --  105.27  30.00 -30.00  184
 14  ω     64.00 108.00   0.50   10.00    --  105.27 -95.00 -90.00   88
 15  ω     75.00 166.00   0.50   10.00    --  105.27 156.00-144.00  182
 16  ω    115.00 165.00   0.50   10.00    --  105.27 125.00   0.00  100
 17  ω     84.00 172.00   0.50   10.00    --  105.27  30.00  30.00  176
 18  ω    109.00 134.00   0.50  152.87    --  105.27 -61.00  60.00   50
 19  ω    -55.00  -9.00   0.50    3.77    --  -40.80 -77.00 -90.00   92
 20  ω   -117.00  -8.00   0.50    3.77    --  -40.80 -77.00-180.00  218
 21  ω    -37.00 -10.00   0.50    3.77    --  -40.80 -77.00  90.00   54
 22  ω   -116.00  -8.00   0.50    3.77    --  -40.80 -77.00  60.00  216
 23  ω    -65.00  -9.00   0.50    3.77    --  -40.80 -77.00 -30.00  112
 24  ω    -31.00  35.00   0.50    3.77    --   40.80 -57.00 -90.00  132
 25  ω     79.00 173.00   0.50  152.87    --  105.27  61.00-150.00  188
 26  ω     76.00 104.00   0.50  152.87    --  105.27  61.00-180.00   56
 27  ω    125.00 151.00   0.50  152.87    --  105.27  77.00-120.00   52
 28  ω     73.00  98.00   0.50  152.87    --  105.27  77.00 -90.00   50
 29  ω     73.00 120.00   0.50  152.87    --  105.27  77.00-180.00   94
 30  ω     73.00  99.00   0.50  152.87    --  105.27  77.00   0.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0396469000
_diffrn_orient_matrix_UB_12      -0.0508566000
_diffrn_orient_matrix_UB_13      0.0904515000
_diffrn_orient_matrix_UB_21      0.0832730000
_diffrn_orient_matrix_UB_22      0.1646160000
_diffrn_orient_matrix_UB_23      0.0377151000
_diffrn_orient_matrix_UB_31      -0.1120021000
_diffrn_orient_matrix_UB_32      0.1404211000
_diffrn_orient_matrix_UB_33      -0.0113683000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.650
_reflns_Friedel_fraction_full    0.800
_reflns_Friedel_fraction_max     0.760
_reflns_number_gt                3838
_reflns_number_total             4054
_reflns_odcompleteness_completeness 99.96
_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.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.710
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.136
_refine_ls_abs_structure_details 
;
 Flack x determined using 1426 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.006(11)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4054
_refine_ls_number_restraints     58
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0514
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1078P)²+0.6314P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1437
_refine_ls_wR_factor_ref         0.1459
_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. Restrained distances
 C18-C7
 1.55 with sigma of 0.02
 C18-C19
 1.55 with sigma of 0.02
 C19-C20
 1.55 with sigma of 0.02
 C19-C22
 1.55 with sigma of 0.02
 C25-C7
 1.55 with sigma of 0.02
 C27-C26
 1.55 with sigma of 0.02
 C27-C21
 1.55 with sigma of 0.02
 C26-C25
 1.55 with sigma of 0.02
 C18-C7 \\sim C18-C19
 with sigma of 0.02
3. Rigid bond restraints
 C18, C7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C21, C20
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C19, C22
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C21
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C25, C7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C22
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C18, C19
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C23, C22
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C18 \\sim C7: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
C7 \\sim C25: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
Uanis(C18) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C20) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C22) \\sim Ueq, Uanis(C23) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
5. Others
 Fixed Sof: H21A(0.5) H21(0.5) C19(0.5) H19(0.5) C20(0.5) H20A(0.5) H20B(0.5)
 C25(0.5) H25A(0.5) H25B(0.5) C18(0.5) H18A(0.5) H18B(0.5) C27(0.5) H27A(0.5)
 H27B(0.5) C26(0.5) H26(0.5)
6.a Ternary CH refined with riding coordinates:
 C21(H21A), C21(H21), C19(H19), C26(H26)
6.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C25(H25A,H25B), C18(H18A,H18B), C27(H27A,H27B)
6.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C2(H2), C1(H1), C3(H3), C15(H15), C14(H14), C12(H12), C13(H13), C6(H6)
6.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C23(H23A,H23B,H23C)
;
_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
Ag2 Ag -0.05567(7) -0.16229(13) 0.46636(4) 0.0500(3) Uani 1 1 d . . . . .
Ag1 Ag 0.22881(7) 0.88205(13) 0.46140(5) 0.0559(3) Uani 1 1 d . . . . .
O1 O 0.1900(7) 0.6903(15) 0.3480(6) 0.060(2) Uani 1 1 d . . . . .
N1 N 0.3317(7) 0.9116(14) 0.5885(5) 0.0421(18) Uani 1 1 d . . . . .
O2 O 0.0181(7) 0.5518(14) 0.3971(5) 0.0517(18) Uani 1 1 d . . . . .
N2 N 0.4614(8) 0.9600(15) 0.4409(6) 0.048(2) Uani 1 1 d . . . . .
O4 O -0.0552(8) 0.0309(18) 0.3423(6) 0.070(3) Uani 1 1 d . . . . .
N3 N 0.7189(8) 0.8873(16) 0.4475(6) 0.048(2) Uani 1 1 d . . . . .
O3 O 0.1214(8) 0.1542(14) 0.4025(6) 0.061(2) Uani 1 1 d . . . . .
C16 C 0.0543(10) 0.2567(16) 0.2609(6) 0.042(2) Uani 1 1 d . . . . .
C4 C 0.5260(9) 0.9322(15) 0.5142(6) 0.041(2) Uani 1 1 d . . . . .
C9 C 0.2710(10) 0.9239(19) 0.6627(8) 0.054(3) Uani 1 1 d . . . . .
H9 H 0.1843 0.9050 0.6597 0.065 Uiso 1 1 calc R . . . .
C8 C 0.3282(11) 0.9618(17) 0.7409(8) 0.050(2) Uani 1 1 d . . . . .
C11 C 0.0896(10) 0.4497(17) 0.2622(7) 0.044(2) Uani 1 1 d . . . . .
C10 C 0.0991(10) 0.5708(16) 0.3436(7) 0.045(2) Uani 1 1 d . . . . .
C2 C 0.6568(11) 0.9290(18) 0.3733(7) 0.052(3) Uani 1 1 d . . . . .
H2 H 0.7001 0.9368 0.3234 0.062 Uiso 1 1 calc R . . . .
C5 C 0.4567(10) 0.9431(15) 0.5936(7) 0.043(2) Uani 1 1 d . . . . .
C1 C 0.5273(12) 0.961(2) 0.3703(7) 0.055(3) Uani 1 1 d . . . . .
H1 H 0.4851 0.9836 0.3175 0.066 Uiso 1 1 calc R . . . .
C3 C 0.6538(9) 0.8889(19) 0.5162(7) 0.050(2) Uani 1 1 d . . . . .
H3 H 0.6950 0.8597 0.5687 0.061 Uiso 1 1 calc R . . . .
C15 C 0.0422(14) 0.158(2) 0.1836(8) 0.064(3) Uani 1 1 d . . . . .
H15 H 0.0188 0.0288 0.1830 0.077 Uiso 1 1 calc R . . . .
C17 C 0.0376(10) 0.1410(17) 0.3417(7) 0.046(2) Uani 1 1 d . . . . .
C21 C 0.2658(14) 0.979(2) 0.8223(9) 0.068(3) Uani 1 1 d D U . . .
H21A H 0.1736 0.9731 0.8198 0.082 Uiso 0.5 1 calc R . P A 1
H21 H 0.1765 0.9441 0.8164 0.082 Uiso 0.5 1 calc R . P B -1
C14 C 0.0643(16) 0.248(3) 0.1093(8) 0.081(5) Uani 1 1 d . . . . .
H14 H 0.0546 0.1805 0.0580 0.097 Uiso 1 1 calc R . . . .
C22 C 0.3391(14) 0.862(3) 0.8954(9) 0.075(3) Uani 1 1 d D U . . .
C12 C 0.1130(14) 0.540(2) 0.1860(8) 0.067(3) Uani 1 1 d . . . . .
H12 H 0.1372 0.6684 0.1857 0.080 Uiso 1 1 calc R . . . .
C24 C 0.267(2) 0.848(4) 0.9759(10) 0.113(7) Uani 1 1 d . . . . .
H24A H 0.3178 0.7858 1.0202 0.170 Uiso 1 1 calc GR . . . .
H24B H 0.1911 0.7743 0.9641 0.170 Uiso 1 1 calc GR . . . .
H24C H 0.2447 0.9752 0.9944 0.170 Uiso 1 1 calc GR . . . .
C7 C 0.4587(13) 0.996(3) 0.7443(8) 0.074(3) Uani 1 1 d D U . . .
C13 C 0.1001(18) 0.435(3) 0.1083(9) 0.084(5) Uani 1 1 d . . . . .
H13 H 0.1161 0.4950 0.0568 0.100 Uiso 1 1 calc R . . . .
C6 C 0.5210(11) 0.987(3) 0.6701(9) 0.072(4) Uani 1 1 d . . . . .
H6 H 0.6072 1.0105 0.6714 0.086 Uiso 1 1 calc R . . . .
C19 C 0.443(3) 1.010(5) 0.904(2) 0.078(8) Uani 0.5 1 d D U P C 1
H19 H 0.4814 1.0289 0.9621 0.094 Uiso 0.5 1 calc R . P C 1
C20 C 0.330(4) 1.143(6) 0.878(3) 0.081(10) Uani 0.5 1 d D U P C 1
H20A H 0.3537 1.2539 0.8443 0.098 Uiso 0.5 1 calc R . P C 1
H20B H 0.2820 1.1824 0.9254 0.098 Uiso 0.5 1 calc R . P C 1
C25 C 0.504(3) 1.105(6) 0.8258(15) 0.074(3) Uani 0.5 1 d D U P C -1
H25A H 0.5159 1.2405 0.8126 0.089 Uiso 0.5 1 calc R . P C -1
H25B H 0.5846 1.0534 0.8475 0.089 Uiso 0.5 1 calc R . P C -1
C18 C 0.536(2) 0.989(6) 0.8319(12) 0.074(3) Uani 0.5 1 d D U P C 1
H18A H 0.5813 0.8673 0.8377 0.089 Uiso 0.5 1 calc R . P C 1
H18B H 0.5974 1.0929 0.8352 0.089 Uiso 0.5 1 calc R . P C 1
C27 C 0.286(3) 1.184(4) 0.8576(18) 0.074(10) Uani 0.5 1 d D . P C -1
H27A H 0.2271 1.2251 0.8992 0.089 Uiso 0.5 1 calc R . P C -1
H27B H 0.2990 1.2830 0.8150 0.089 Uiso 0.5 1 calc R . P C -1
C26 C 0.406(3) 1.084(6) 0.8948(16) 0.073(11) Uani 0.5 1 d D . P C -1
H26 H 0.4352 1.1313 0.9515 0.088 Uiso 0.5 1 calc R . P C -1
C23 C 0.392(2) 0.675(4) 0.8751(16) 0.117(6) Uani 1 1 d . U . . .
H23A H 0.3245 0.5862 0.8606 0.175 Uiso 1 1 calc GR . . . .
H23B H 0.4411 0.6272 0.9239 0.175 Uiso 1 1 calc GR . . . .
H23C H 0.4442 0.6879 0.8275 0.175 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
Ag2 Ag1 3.0456(10) 1_545 ?
Ag2 O2 2.411(9) 1_545 ?
Ag2 O2 2.613(8) 2_546 ?
Ag2 O4 2.358(10) . ?
Ag2 N3 2.423(9) 1_445 ?
Ag2 O3 2.546(10) 2_546 ?
Ag1 Ag2 3.0456(10) 1_565 ?
Ag1 O1 2.236(9) . ?
Ag1 N1 2.223(8) . ?
Ag1 N2 2.569(9) . ?
Ag1 O3 2.365(8) 1_565 ?
O1 C10 1.272(14) . ?
N1 C9 1.363(14) . ?
N1 C5 1.345(13) . ?
O2 Ag2 2.411(9) 1_565 ?
O2 C10 1.242(13) . ?
N2 C4 1.317(13) . ?
N2 C1 1.341(15) . ?
O4 C17 1.247(14) . ?
N3 Ag2 2.423(9) 1_665 ?
N3 C2 1.334(14) . ?
N3 C3 1.311(13) . ?
O3 Ag2 2.546(10) 2_556 ?
O3 Ag1 2.365(8) 1_545 ?
O3 C17 1.269(13) . ?
C16 C11 1.389(16) . ?
C16 C15 1.389(16) . ?
C16 C17 1.516(15) . ?
C4 C5 1.482(14) . ?
C4 C3 1.391(14) . ?
C9 H9 0.9300 . ?
C9 C8 1.360(17) . ?
C8 C21 1.475(17) . ?
C8 C7 1.405(17) . ?
C11 C10 1.524(15) . ?
C11 C12 1.380(16) . ?
C2 H2 0.9300 . ?
C2 C1 1.392(17) . ?
C5 C6 1.378(16) . ?
C1 H1 0.9300 . ?
C3 H3 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.35(2) . ?
C21 H21A 0.9800 . ?
C21 H21 0.9800 . ?
C21 C22 1.57(2) . ?
C21 C20 1.56(5) . ?
C21 C27 1.54(2) . ?
C14 H14 0.9300 . ?
C14 C13 1.35(3) . ?
C22 C24 1.52(2) . ?
C22 C19 1.51(2) . ?
C22 C26 1.70(4) . ?
C22 C23 1.46(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.41(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C7 C6 1.371(19) . ?
C7 C25 1.54(2) . ?
C7 C18 1.559(18) . ?
C13 H13 0.9300 . ?
C6 H6 0.9300 . ?
C19 H19 0.9800 . ?
C19 C20 1.55(2) . ?
C19 C25 1.57(5) . ?
C19 C18 1.55(2) . ?
C19 C26 0.66(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C27 0.62(4) . ?
C20 C26 0.93(4) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C18 0.88(5) . ?
C25 C26 1.55(2) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C26 1.87(4) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C26 1.54(2) . ?
C26 H26 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ag2 Ag1 73.9(2) 1_545 1_545 ?
O2 Ag2 Ag1 81.81(17) 2_546 1_545 ?
O2 Ag2 O2 142.72(18) 1_545 2_546 ?
O2 Ag2 N3 114.0(3) 1_545 1_445 ?
O2 Ag2 O3 93.6(3) 1_545 2_546 ?
O4 Ag2 Ag1 82.7(2) . 1_545 ?
O4 Ag2 O2 94.6(3) . 1_545 ?
O4 Ag2 O2 110.1(4) . 2_546 ?
O4 Ag2 N3 82.4(3) . 1_445 ?
O4 Ag2 O3 163.9(3) . 2_546 ?
N3 Ag2 Ag1 163.7(3) 1_445 1_545 ?
N3 Ag2 O2 97.1(3) 1_445 2_546 ?
N3 Ag2 O3 81.6(3) 1_445 2_546 ?
O3 Ag2 Ag1 112.92(19) 2_546 1_545 ?
O3 Ag2 O2 70.2(3) 2_546 2_546 ?
O1 Ag1 Ag2 79.7(2) . 1_565 ?
O1 Ag1 N2 99.3(3) . . ?
O1 Ag1 O3 95.8(3) . 1_565 ?
N1 Ag1 Ag2 115.2(2) . 1_565 ?
N1 Ag1 O1 145.4(4) . . ?
N1 Ag1 N2 70.4(3) . . ?
N1 Ag1 O3 118.5(3) . 1_565 ?
N2 Ag1 Ag2 171.4(2) . 1_565 ?
O3 Ag1 Ag2 68.4(2) 1_565 1_565 ?
O3 Ag1 N2 103.3(3) 1_565 . ?
C10 O1 Ag1 122.4(7) . . ?
C9 N1 Ag1 122.4(7) . . ?
C5 N1 Ag1 120.2(7) . . ?
C5 N1 C9 116.9(9) . . ?
C10 O2 Ag2 118.1(8) . 1_565 ?
C4 N2 Ag1 108.6(7) . . ?
C4 N2 C1 116.5(9) . . ?
C1 N2 Ag1 131.0(7) . . ?
C17 O4 Ag2 113.1(8) . . ?
C2 N3 Ag2 125.1(7) . 1_665 ?
C3 N3 Ag2 117.7(7) . 1_665 ?
C3 N3 C2 117.0(9) . . ?
Ag1 O3 Ag2 103.5(3) 1_545 2_556 ?
C17 O3 Ag2 115.3(7) . 2_556 ?
C17 O3 Ag1 122.5(8) . 1_545 ?
C11 C16 C15 119.9(11) . . ?
C11 C16 C17 122.8(10) . . ?
C15 C16 C17 117.1(11) . . ?
N2 C4 C5 117.6(9) . . ?
N2 C4 C3 120.8(9) . . ?
C3 C4 C5 121.6(9) . . ?
N1 C9 H9 117.7 . . ?
C8 C9 N1 124.7(10) . . ?
C8 C9 H9 117.7 . . ?
C9 C8 C21 126.3(11) . . ?
C9 C8 C7 117.2(11) . . ?
C7 C8 C21 116.4(11) . . ?
C16 C11 C10 123.2(10) . . ?
C12 C11 C16 118.9(12) . . ?
C12 C11 C10 117.8(11) . . ?
O1 C10 C11 114.7(9) . . ?
O2 C10 O1 125.9(10) . . ?
O2 C10 C11 119.3(10) . . ?
N3 C2 H2 119.9 . . ?
N3 C2 C1 120.2(10) . . ?
C1 C2 H2 119.9 . . ?
N1 C5 C4 118.6(9) . . ?
N1 C5 C6 121.8(10) . . ?
C6 C5 C4 119.6(10) . . ?
N2 C1 C2 122.2(10) . . ?
N2 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
N3 C3 C4 122.9(10) . . ?
N3 C3 H3 118.6 . . ?
C4 C3 H3 118.6 . . ?
C16 C15 H15 119.7 . . ?
C14 C15 C16 120.6(14) . . ?
C14 C15 H15 119.7 . . ?
O4 C17 O3 124.1(11) . . ?
O4 C17 C16 117.4(10) . . ?
O3 C17 C16 118.4(10) . . ?
C8 C21 H21A 117.4 . . ?
C8 C21 H21 112.3 . . ?
C8 C21 C22 110.9(12) . . ?
C8 C21 C20 109(2) . . ?
C8 C21 C27 109.0(15) . . ?
H21A C21 H21 12.4 . . ?
C22 C21 H21A 117.4 . . ?
C22 C21 H21 112.3 . . ?
C20 C21 H21A 117.4 . . ?
C20 C21 H21 128.8 . . ?
C20 C21 C22 77.8(18) . . ?
C27 C21 H21A 99.9 . . ?
C27 C21 H21 112.3 . . ?
C27 C21 C22 99.4(16) . . ?
C27 C21 C20 23.2(14) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 C15 121.1(14) . . ?
C13 C14 H14 119.5 . . ?
C21 C22 C26 73.6(14) . . ?
C24 C22 C21 112.5(14) . . ?
C24 C22 C26 107.3(17) . . ?
C19 C22 C21 92.7(19) . . ?
C19 C22 C24 112.0(19) . . ?
C19 C22 C26 23.0(14) . . ?
C23 C22 C21 118.8(15) . . ?
C23 C22 C24 110.1(18) . . ?
C23 C22 C19 110(2) . . ?
C23 C22 C26 130.0(18) . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.9(14) . . ?
C13 C12 H12 120.1 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C8 C7 C25 112.2(14) . . ?
C8 C7 C18 120.0(15) . . ?
C6 C7 C8 118.9(10) . . ?
C6 C7 C25 125.5(15) . . ?
C6 C7 C18 119.1(15) . . ?
C25 C7 C18 33.0(17) . . ?
C14 C13 C12 119.6(14) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.4(11) . . ?
C7 C6 H6 119.8 . . ?
C22 C19 H19 116.1 . . ?
C22 C19 C20 80(2) . . ?
C22 C19 C25 123(3) . . ?
C22 C19 C18 111(2) . . ?
C20 C19 H19 116.1 . . ?
C20 C19 C25 84(3) . . ?
C25 C19 H19 119.9 . . ?
C18 C19 H19 116.1 . . ?
C18 C19 C20 112(3) . . ?
C18 C19 C25 32.7(17) . . ?
C26 C19 C22 95(4) . . ?
C26 C19 H19 108.0 . . ?
C26 C19 C20 15(4) . . ?
C26 C19 C25 76(4) . . ?
C26 C19 C18 108(5) . . ?
C21 C20 H20A 113.4 . . ?
C21 C20 H20B 113.4 . . ?
C19 C20 C21 91(3) . . ?
C19 C20 H20A 113.4 . . ?
C19 C20 H20B 113.4 . . ?
H20A C20 H20B 110.7 . . ?
C27 C20 C21 76(5) . . ?
C27 C20 C19 164(7) . . ?
C27 C20 H20A 64.7 . . ?
C27 C20 H20B 80.7 . . ?
C27 C20 C26 166(9) . . ?
C26 C20 C21 101(4) . . ?
C26 C20 C19 11(3) . . ?
C26 C20 H20A 104.9 . . ?
C26 C20 H20B 112.9 . . ?
C7 C25 C19 108(2) . . ?
C7 C25 H25A 109.7 . . ?
C7 C25 H25B 109.7 . . ?
C7 C25 C26 109.7(18) . . ?
C19 C25 H25A 129.8 . . ?
C19 C25 H25B 88.0 . . ?
H25A C25 H25B 108.2 . . ?
C18 C25 C7 74.9(19) . . ?
C18 C25 C19 73(3) . . ?
C18 C25 H25A 149.0 . . ?
C18 C25 H25B 45.1 . . ?
C18 C25 C26 96(4) . . ?
C26 C25 C19 24.6(16) . . ?
C26 C25 H25A 109.7 . . ?
C26 C25 H25B 109.7 . . ?
C7 C18 H18A 110.1 . . ?
C7 C18 H18B 110.1 . . ?
C7 C18 C26 94.6(16) . . ?
C19 C18 C7 108(2) . . ?
C19 C18 H18A 110.1 . . ?
C19 C18 H18B 110.1 . . ?
C19 C18 C26 19.8(17) . . ?
C25 C18 C7 72.2(19) . . ?
C25 C18 C19 75(3) . . ?
C25 C18 H18A 173.3 . . ?
C25 C18 H18B 65.0 . . ?
C25 C18 C26 56(3) . . ?
H18A C18 H18B 108.4 . . ?
C26 C18 H18A 129.4 . . ?
C26 C18 H18B 102.8 . . ?
C21 C27 H27A 115.4 . . ?
C21 C27 H27B 115.4 . . ?
C21 C27 C26 79.3(17) . . ?
C20 C27 C21 81(6) . . ?
C20 C27 H27A 107.1 . . ?
C20 C27 H27B 122.5 . . ?
C20 C27 C26 9(6) . . ?
H27A C27 H27B 112.4 . . ?
C26 C27 H27A 115.4 . . ?
C26 C27 H27B 115.4 . . ?
C22 C26 C18 90(2) . . ?
C22 C26 H26 114.0 . . ?
C19 C26 C22 62(4) . . ?
C19 C26 C20 155(7) . . ?
C19 C26 C25 79(4) . . ?
C19 C26 C18 52(4) . . ?
C19 C26 C27 155(5) . . ?
C19 C26 H26 84.4 . . ?
C20 C26 C22 92(4) . . ?
C20 C26 C25 111(4) . . ?
C20 C26 C18 131(4) . . ?
C20 C26 C27 6(4) . . ?
C20 C26 H26 110.1 . . ?
C25 C26 C22 113(2) . . ?
C25 C26 C18 27.9(18) . . ?
C25 C26 H26 114.0 . . ?
C18 C26 H26 112.9 . . ?
C27 C26 C22 94.2(18) . . ?
C27 C26 C25 106(3) . . ?
C27 C26 C18 126(2) . . ?
C27 C26 H26 114.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

_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 4.736
_oxdiff_exptl_absorpt_empirical_full_min 0.358
####################################################################### 
# 
# 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_s1
_database_code_depnum_ccdc_archive 'CCDC 2095023'
_audit_update_record             
;
2021-10-21 deposited with the CCDC.	2021-11-24 downloaded from the CCDC.
;
_audit_creation_date             2021-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.18 svn.r3501 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H21 Ag2 N3 O4'
_chemical_formula_sum            'C24 H21 Ag2 N3 O4'
_chemical_formula_weight         631.18
_chemical_absolute_configuration unk
_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'
O O 0.0492 0.0322 '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        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.6341(2)
_cell_length_b                   6.92397(17)
_cell_length_c                   15.6359(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.253(2)
_cell_angle_gamma                90
_cell_volume                     1149.42(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2757
_cell_measurement_temperature    294.22(10)
_cell_measurement_theta_max      72.1370
_cell_measurement_theta_min      4.8620
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.973
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.02041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0731
_diffrn_reflns_av_unetI/netI     0.0648
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4035
_diffrn_reflns_point_group_measured_fraction_full 0.691
_diffrn_reflns_point_group_measured_fraction_max 0.664
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.569
_diffrn_reflns_theta_min         4.164
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.22(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3031
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -109.00 -29.00   1.00    2.00    --  -41.38 -57.00  30.00   80
  2  ω    -30.00  -4.00   1.00    2.00    --  -41.38 125.00-120.00   26
  3  ω    -66.00  31.00   1.00    2.00    --  -41.38  38.00-180.00   97
  4  ω     79.00 172.00   1.00    5.00    --  105.00  30.00  90.00   93
  5  ω     46.00 118.00   1.00    5.00    --  105.00-125.00-120.00   72
  6  ω     77.00 166.00   1.00    5.00    --  105.00  30.00   0.00   89
  7  ω     63.00 105.00   1.00    5.00    --  105.00-125.00  30.00   42
  8  ω     46.00 121.00   1.00    5.00    --  105.00 -45.00  30.00   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0168062000
_diffrn_orient_matrix_UB_12      0.0548352000
_diffrn_orient_matrix_UB_13      -0.0942268000
_diffrn_orient_matrix_UB_21      0.1429003000
_diffrn_orient_matrix_UB_22      -0.0353611000
_diffrn_orient_matrix_UB_23      0.0131010000
_diffrn_orient_matrix_UB_31      -0.0197528000
_diffrn_orient_matrix_UB_32      -0.2123560000
_diffrn_orient_matrix_UB_33      -0.0264730000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.262
_reflns_Friedel_fraction_full    0.328
_reflns_Friedel_fraction_max     0.302
_reflns_number_gt                2824
_reflns_number_total             3040
_reflns_odcompleteness_completeness 99.51
_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.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.410
_refine_diff_density_min         -2.400
_refine_diff_density_rms         0.247
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.01(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         3040
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0893
_refine_ls_restrained_S_all      1.123
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2514
_refine_ls_wR_factor_ref         0.2605
_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. Uiso/Uaniso restraints and constraints
Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C23)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C7) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Ternary CH refined with riding coordinates:
 C21(H21), C19(H19)
3.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C18(H18A,H18B)
3.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C2(H2), C3(H3), C1(H1), C14(H14), C15(H15), C13(H13), C6(H6), C12(H12)
3.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C23(H23A,H23B,H23C)
;
_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
Ag2 Ag 1.05553(10) 1.1596(2) 0.53359(8) 0.0504(5) Uani 1 1 d . . . . .
Ag1 Ag 0.77121(11) 0.1150(2) 0.53867(9) 0.0561(5) Uani 1 1 d . . . . .
O1 O 0.8102(12) 0.307(3) 0.6520(10) 0.061(4) Uani 1 1 d . . . . .
O3 O 0.8789(12) 0.849(2) 0.5982(10) 0.059(3) Uani 1 1 d . . . . .
N1 N 0.6671(12) 0.084(2) 0.4126(8) 0.041(3) Uani 1 1 d . . . . .
O2 O 0.9817(13) 0.443(2) 0.6035(8) 0.051(3) Uani 1 1 d . . . . .
N2 N 0.5389(13) 0.036(3) 0.5604(10) 0.047(3) Uani 1 1 d . . . . .
C9 C 0.7308(14) 0.070(3) 0.3412(12) 0.053(5) Uani 1 1 d . . . . .
H9 H 0.8180 0.0823 0.3459 0.064 Uiso 1 1 calc R . . . .
C10 C 0.8993(15) 0.422(3) 0.6589(12) 0.048(4) Uani 1 1 d . . . . .
N3 N 0.2815(14) 0.109(3) 0.5508(9) 0.054(4) Uani 1 1 d . . . . .
O4 O 1.0548(14) 0.964(4) 0.6572(11) 0.075(5) Uani 1 1 d . . . . .
C2 C 0.3419(16) 0.069(3) 0.6269(10) 0.044(3) Uani 1 1 d . . . . .
H2 H 0.2983 0.0625 0.6767 0.053 Uiso 1 1 calc R . . . .
C3 C 0.3475(16) 0.114(4) 0.4844(14) 0.061(5) Uani 1 1 d . . . . .
H3 H 0.3074 0.1510 0.4327 0.074 Uiso 1 1 calc R . . . .
C16 C 0.9461(14) 0.738(3) 0.7382(11) 0.044(4) Uani 1 1 d . . . . .
C4 C 0.4740(16) 0.066(2) 0.4846(10) 0.041(3) Uani 1 1 d . . . . .
C8 C 0.6720(18) 0.039(3) 0.2600(13) 0.051(4) Uani 1 1 d . . . . .
C1 C 0.474(2) 0.035(4) 0.6291(12) 0.062(6) Uani 1 1 d . . . . .
H1 H 0.5163 0.0117 0.6817 0.075 Uiso 1 1 calc R . . . .
C5 C 0.5432(15) 0.053(3) 0.4071(9) 0.041(3) Uani 1 1 d . . . . .
C21 C 0.734(2) 0.015(5) 0.1787(17) 0.075(7) Uani 1 1 d . . . . .
H21 H 0.8247 0.0383 0.1825 0.090 Uiso 1 1 calc R . . . .
C22 C 0.657(2) 0.136(7) 0.1048(13) 0.083(9) Uani 1 1 d . . . . .
C14 C 0.936(3) 0.747(5) 0.8892(15) 0.083(9) Uani 1 1 d . . . . .
H14 H 0.9463 0.8137 0.9408 0.100 Uiso 1 1 calc R . . . .
C15 C 0.959(2) 0.845(4) 0.8174(14) 0.068(6) Uani 1 1 d . . . . .
H15 H 0.9826 0.9744 0.8188 0.081 Uiso 1 1 calc R . . . .
C11 C 0.9072(16) 0.548(3) 0.7384(11) 0.045(4) Uani 1 1 d . . . . .
C17 C 0.9650(16) 0.849(3) 0.6561(13) 0.049(4) Uani 1 1 d . . . . .
C13 C 0.900(3) 0.561(5) 0.8928(14) 0.086(9) Uani 1 1 d . . . . .
H13 H 0.8839 0.5025 0.9448 0.103 Uiso 1 1 calc R . . . .
C19 C 0.583(4) -0.073(7) 0.102(3) 0.108(10) Uani 1 1 d . U . . .
H19 H 0.5506 -0.1166 0.0457 0.130 Uiso 1 1 calc R . . . .
C6 C 0.4774(19) 0.006(5) 0.3299(13) 0.071(7) Uani 1 1 d . . . . .
H6 H 0.3912 -0.0179 0.3281 0.085 Uiso 1 1 calc R . . . .
C24 C 0.737(3) 0.141(9) 0.0232(18) 0.122(17) Uani 1 1 d . . . . .
H24A H 0.8085 0.2248 0.0338 0.184 Uiso 1 1 calc GR . . . .
H24B H 0.6861 0.1894 -0.0247 0.184 Uiso 1 1 calc GR . . . .
H24C H 0.7659 0.0135 0.0107 0.184 Uiso 1 1 calc GR . . . .
C7 C 0.545(2) -0.004(4) 0.2547(17) 0.073(6) Uani 1 1 d . U . . .
C12 C 0.886(2) 0.458(4) 0.8158(14) 0.066(6) Uani 1 1 d . . . . .
H12 H 0.8624 0.3288 0.8163 0.079 Uiso 1 1 calc R . . . .
C20 C 0.695(4) -0.167(7) 0.136(3) 0.111(11) Uani 1 1 d . U . . .
H20A H 0.7506 -0.2085 0.0922 0.133 Uiso 1 1 calc R . . . .
H20B H 0.6792 -0.2720 0.1751 0.133 Uiso 1 1 calc R . . . .
C18 C 0.487(4) -0.076(8) 0.175(2) 0.109(10) Uani 1 1 d . U . . .
H18A H 0.4143 0.0026 0.1579 0.131 Uiso 1 1 calc R . . . .
H18B H 0.4578 -0.2074 0.1832 0.131 Uiso 1 1 calc R . . . .
C23 C 0.602(5) 0.322(9) 0.125(3) 0.138(16) Uani 1 1 d . U . . .
H23A H 0.5573 0.3106 0.1763 0.207 Uiso 1 1 calc GR . . . .
H23B H 0.5449 0.3612 0.0785 0.207 Uiso 1 1 calc GR . . . .
H23C H 0.6677 0.4163 0.1332 0.207 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
Ag2 Ag1 3.0447(17) 1_565 ?
Ag2 O3 2.571(16) 2_756 ?
Ag2 O2 2.397(13) 1_565 ?
Ag2 N3 2.428(16) 1_665 ?
Ag2 O4 2.36(2) . ?
Ag1 Ag2 3.0447(17) 1_545 ?
Ag1 O1 2.235(16) . ?
Ag1 O3 2.336(15) 1_545 ?
Ag1 N1 2.216(13) . ?
Ag1 N2 2.572(15) . ?
O1 C10 1.24(3) . ?
O3 Ag2 2.571(16) 2_746 ?
O3 Ag1 2.336(15) 1_565 ?
O3 C17 1.25(2) . ?
N1 C9 1.34(2) . ?
N1 C5 1.33(2) . ?
O2 Ag2 2.397(13) 1_545 ?
O2 C10 1.28(2) . ?
N2 C4 1.35(2) . ?
N2 C1 1.31(2) . ?
C9 H9 0.9300 . ?
C9 C8 1.40(3) . ?
C10 C11 1.52(3) . ?
N3 Ag2 2.428(16) 1_445 ?
N3 C2 1.35(2) . ?
N3 C3 1.29(3) . ?
O4 C17 1.24(3) . ?
C2 H2 0.9300 . ?
C2 C1 1.42(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.38(3) . ?
C16 C15 1.44(3) . ?
C16 C11 1.38(3) . ?
C16 C17 1.52(3) . ?
C4 C5 1.46(2) . ?
C8 C21 1.47(3) . ?
C8 C7 1.39(3) . ?
C1 H1 0.9300 . ?
C5 C6 1.40(2) . ?
C21 H21 0.9800 . ?
C21 C22 1.61(4) . ?
C21 C20 1.48(6) . ?
C22 C19 1.64(6) . ?
C22 C24 1.57(3) . ?
C22 C23 1.46(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.35(4) . ?
C14 C13 1.35(5) . ?
C15 H15 0.9300 . ?
C11 C12 1.39(3) . ?
C13 H13 0.9300 . ?
C13 C12 1.40(4) . ?
C19 H19 0.9800 . ?
C19 C20 1.43(6) . ?
C19 C18 1.57(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.41(3) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C7 C18 1.45(5) . ?
C12 H12 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Ag2 Ag1 112.8(3) 2_756 1_565 ?
O2 Ag2 Ag1 73.7(3) 1_565 1_565 ?
O2 Ag2 O3 93.4(5) 1_565 2_756 ?
O2 Ag2 N3 114.5(6) 1_565 1_665 ?
N3 Ag2 Ag1 163.9(5) 1_665 1_565 ?
N3 Ag2 O3 81.4(5) 1_665 2_756 ?
O4 Ag2 Ag1 82.6(4) . 1_565 ?
O4 Ag2 O3 164.2(5) . 2_756 ?
O4 Ag2 O2 94.5(6) . 1_565 ?
O4 Ag2 N3 82.9(5) . 1_665 ?
O1 Ag1 Ag2 79.7(3) . 1_545 ?
O1 Ag1 O3 95.1(6) . 1_545 ?
O1 Ag1 N2 99.1(5) . . ?
O3 Ag1 Ag2 68.0(4) 1_545 1_545 ?
O3 Ag1 N2 103.4(5) 1_545 . ?
N1 Ag1 Ag2 115.7(3) . 1_545 ?
N1 Ag1 O1 145.5(6) . . ?
N1 Ag1 O3 119.1(6) . 1_545 ?
N1 Ag1 N2 70.2(5) . . ?
N2 Ag1 Ag2 171.0(4) . 1_545 ?
C10 O1 Ag1 124.0(12) . . ?
Ag1 O3 Ag2 103.4(6) 1_565 2_746 ?
C17 O3 Ag2 111.1(12) . 2_746 ?
C17 O3 Ag1 127.6(15) . 1_565 ?
C9 N1 Ag1 119.8(10) . . ?
C5 N1 Ag1 121.0(10) . . ?
C5 N1 C9 118.7(14) . . ?
C10 O2 Ag2 118.4(13) . 1_545 ?
C4 N2 Ag1 107.3(11) . . ?
C1 N2 Ag1 131.6(13) . . ?
C1 N2 C4 116.9(15) . . ?
N1 C9 H9 118.5 . . ?
N1 C9 C8 123.0(15) . . ?
C8 C9 H9 118.5 . . ?
O1 C10 O2 124.2(18) . . ?
O1 C10 C11 116.7(16) . . ?
O2 C10 C11 119.1(17) . . ?
C2 N3 Ag2 123.1(12) . 1_445 ?
C3 N3 Ag2 119.3(11) . 1_445 ?
C3 N3 C2 117.5(16) . . ?
C17 O4 Ag2 113.2(13) . . ?
N3 C2 H2 120.8 . . ?
N3 C2 C1 118.4(15) . . ?
C1 C2 H2 120.8 . . ?
N3 C3 H3 117.7 . . ?
N3 C3 C4 124.6(17) . . ?
C4 C3 H3 117.7 . . ?
C15 C16 C17 117.1(19) . . ?
C11 C16 C15 120.1(18) . . ?
C11 C16 C17 122.5(17) . . ?
N2 C4 C3 119.0(16) . . ?
N2 C4 C5 117.5(14) . . ?
C3 C4 C5 123.4(15) . . ?
C9 C8 C21 127.1(18) . . ?
C7 C8 C9 118.2(18) . . ?
C7 C8 C21 114(2) . . ?
N2 C1 C2 123.1(16) . . ?
N2 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
N1 C5 C4 118.8(13) . . ?
N1 C5 C6 122.5(16) . . ?
C6 C5 C4 118.7(15) . . ?
C8 C21 H21 114.6 . . ?
C8 C21 C22 109.3(19) . . ?
C8 C21 C20 111(3) . . ?
C22 C21 H21 114.6 . . ?
C20 C21 H21 114.6 . . ?
C20 C21 C22 90(3) . . ?
C21 C22 C19 77(3) . . ?
C24 C22 C21 109(2) . . ?
C24 C22 C19 106(3) . . ?
C23 C22 C21 120(3) . . ?
C23 C22 C19 126(3) . . ?
C23 C22 C24 113(4) . . ?
C15 C14 H14 117.2 . . ?
C15 C14 C13 126(3) . . ?
C13 C14 H14 117.2 . . ?
C16 C15 H15 121.8 . . ?
C14 C15 C16 116(3) . . ?
C14 C15 H15 121.8 . . ?
C16 C11 C10 123.3(17) . . ?
C16 C11 C12 119.6(18) . . ?
C12 C11 C10 117(2) . . ?
O3 C17 C16 119.0(17) . . ?
O4 C17 O3 123(2) . . ?
O4 C17 C16 116.8(17) . . ?
C14 C13 H13 121.1 . . ?
C14 C13 C12 118(2) . . ?
C12 C13 H13 121.1 . . ?
C22 C19 H19 115.8 . . ?
C20 C19 C22 90(3) . . ?
C20 C19 H19 115.8 . . ?
C20 C19 C18 107(3) . . ?
C18 C19 C22 109(3) . . ?
C18 C19 H19 115.8 . . ?
C5 C6 H6 120.7 . . ?
C5 C6 C7 118.6(19) . . ?
C7 C6 H6 120.7 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C8 C7 C6 119(2) . . ?
C8 C7 C18 119(2) . . ?
C6 C7 C18 122(3) . . ?
C11 C12 C13 120(2) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C21 C20 H20A 113.8 . . ?
C21 C20 H20B 113.8 . . ?
C19 C20 C21 89(4) . . ?
C19 C20 H20A 113.8 . . ?
C19 C20 H20B 113.8 . . ?
H20A C20 H20B 111.1 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
C7 C18 C19 111(3) . . ?
C7 C18 H18A 109.5 . . ?
C7 C18 H18B 109.5 . . ?
H18A C18 H18B 108.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

_olex2_date_sample_data_collection 2021-09-09
_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 16.089
_oxdiff_exptl_absorpt_empirical_full_min 0.324
# start Validation Reply Form
_vrf_PLAT342_s1                  
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.03875 Ang.
RESPONSE: Twinning, 180 deg. around [1 -1 0], leads to nearly perfect
overlap of reflections which results in lower precision in the unit
cell as the lattices cannot be integrated and refined independantly, 
this leads to lower precision in the bonds.
;
_vrf_PLAT915_s1                  
;
PROBLEM: No Flack x Check Done: Low Friedel Pair Coverage 30 %
RESPONSE: Moderate data quality with unknown absolute configureation
;
_vrf_PLAT971_s1                  
;
PROBLEM: Check Calcd Resid. Dens. 1.02A From Ag2 2.87 eA-3
RESPONSE: this is most probably a consequence of the cut- off effects
of Ag ions.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_exp_2489
_database_code_depnum_ccdc_archive 'CCDC 2095021'
_audit_update_record             
;
2021-10-21 deposited with the CCDC.	2021-11-24 downloaded from the CCDC.
;
_audit_creation_date             2021-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.18 svn.r3501 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H19 Ag2 N3 O4 S, H2 O'
_chemical_formula_sum            'C22 H21 Ag2 N3 O5 S'
_chemical_formula_weight         655.22
_chemical_absolute_configuration unk
_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'
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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.5999(2)
_cell_length_b                   6.9785(2)
_cell_length_c                   15.2396(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.403(2)
_cell_angle_gamma                90
_cell_volume                     1127.27(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2685
_cell_measurement_temperature    290.6(2)
_cell_measurement_theta_max      72.5950
_cell_measurement_theta_min      4.1480
_shelx_estimated_absorpt_T_max   0.751
_shelx_estimated_absorpt_T_min   0.065
_exptl_absorpt_coefficient_mu    15.152
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear grayish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   grayish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.930
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_unetI/netI     0.0933
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4390
_diffrn_reflns_point_group_measured_fraction_full 0.745
_diffrn_reflns_point_group_measured_fraction_max 0.715
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.785
_diffrn_reflns_theta_min         4.171
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      290.6(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3031
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -113.00 -86.00   1.00    1.00    --  -40.80 -38.00-120.00   27
  2  ω    -90.00 -12.00   1.00    1.00    --  -40.80 125.00 -60.00   78
  3  ω   -110.00 -16.00   1.00    1.00    --  -40.80 -38.00 150.00   94
  4  ω     94.00 120.00   1.00    4.00    --  105.27 -61.00  30.00   26
  5  ω     38.00 133.00   1.00    4.00    --  105.27 -61.00 -90.00   95
  6  ω     29.00 138.00   1.00    4.00    --  105.27 -77.00 150.00  109
  7  ω     39.00 104.00   1.00    4.00    --  105.27-125.00  90.00   65
  8  ω     44.00 111.00   1.00    4.00    --  105.27-125.00 150.00   67
  9  ω     79.00 153.00   1.00    4.00    --  105.27  15.00   0.00   74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1078321000
_diffrn_orient_matrix_UB_12      0.1051398000
_diffrn_orient_matrix_UB_13      0.0481888000
_diffrn_orient_matrix_UB_21      -0.0149699000
_diffrn_orient_matrix_UB_22      0.1712891000
_diffrn_orient_matrix_UB_23      -0.0630373000
_diffrn_orient_matrix_UB_31      -0.0962474000
_diffrn_orient_matrix_UB_32      0.0913275000
_diffrn_orient_matrix_UB_33      0.0626716000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.355
_reflns_Friedel_fraction_full    0.443
_reflns_Friedel_fraction_max     0.410
_reflns_number_gt                2993
_reflns_number_total             3222
_reflns_odcompleteness_completeness 99.86
_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.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.298
_refine_diff_density_min         -1.490
_refine_diff_density_rms         0.189
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         3222
_refine_ls_number_restraints     156
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0625
_refine_ls_restrained_S_all      1.156
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0939P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1605
_refine_ls_wR_factor_ref         0.1668
_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, All O(H,H) groups
2. Restrained distances
 C24-C17
 1.55 with sigma of 0.02
 C17-C18
 1.55 with sigma of 0.02
 C19-C8
 1.55 with sigma of 0.02
 C20-C19
 1.55 with sigma of 0.02
 C20-C21
 1.55 with sigma of 0.02
 C20-C22
 1.55 with sigma of 0.02
 C24-C25
 1.55 with sigma of 0.02
 C16-C17
 1.55 with sigma of 0.02
 C25-C20
 1.55 with sigma of 0.02
 C17-C20
 1.55 with sigma of 0.02
 C26-C25
 1.55 with sigma of 0.02
 C26-C19
 1.55 with sigma of 0.02
 C18-C19
 1.55 with sigma of 0.02
 C16-C7
 1.55 with sigma of 0.02
 C24-C23
 1.55 with sigma of 0.02
 O5-H5B = O5-H5A
 0.904 with sigma of 0.02
 C5-N1 \\sim C5-C4
 with sigma of 0.02
 C5-C4 \\sim C5-N1 \\sim C5-C6 \\sim C5-C27
 with sigma of 0.02
 C8-C9 \\sim C8-C19 \\sim C8-C7 \\sim C8-C23
 with sigma of 0.02
 C19-C20 \\sim C19-C18 \\sim C19-C8 \\sim C19-C26
 with sigma of 0.02
 C19-C21 \\sim C19-C22 \\sim C21-C22
 with sigma of 0.04
 C20-C19 \\sim C20-C21 \\sim C20-C17 \\sim C20-C22 \\sim C20-C25
 with sigma of 0.02
3. Rigid bond restraints
 C5
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C17, C24
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C17, C18
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C25, C20
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C17, C20
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C26, C19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C18, C19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C7, C8
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C27, C5
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C23, C8
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C5: within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
C19 \\sim C18: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
C17 \\sim C24: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
C27 \\sim C5: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
C23 \\sim C8: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
Uanis(C19) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C24)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C25) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C16)
\\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C18) \\sim Ueq: with sigma of 0.001 and
sigma for terminal atoms of 0.001
5. Others
 Fixed Sof: H19A(0.5) H19(0.5) C18(0.5) H18A(0.5) H18B(0.5) C17(0.5) H17(0.5)
 C24(0.5) H24A(0.5) H24B(0.5) C6(0.65) H6(0.65) C7(0.65) C27(0.35) H27(0.35)
 C23(0.35) C26(0.5) H26A(0.5) H26B(0.5) C16(0.5) H16A(0.5) H16B(0.5) C25(0.5)
 H25(0.5)
6.a Free rotating group:
 O5(H5A,H5B)
6.b Ternary CH refined with riding coordinates:
 C19(H19A), C19(H19), C17(H17), C25(H25)
6.c Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C24(H24A,H24B), C26(H26A,H26B), C16(H16A,H16B)
6.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C13(H13), C12(H12), C6(H6), C9(H9), C27(H27)
6.e Fitted hexagon refined as free rotating group:
 C6(C5,N1,C9,C8,C7)
6.f Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   mixed
_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
Ag2 Ag 0.04909(8) 0.75642(16) 0.53417(5) 0.0401(3) Uani 1 1 d . . . . .
Ag1 Ag 0.76532(9) 0.80556(19) 0.53887(6) 0.0463(3) Uani 1 1 d . . . . .
S1 S 0.8816(5) 0.2709(9) 0.8999(2) 0.0728(13) Uani 1 1 d . . . . .
O1 O 0.7979(10) 0.615(2) 0.6556(7) 0.049(3) Uani 1 1 d . . . . .
O4 O 1.0429(13) -0.076(2) 0.6730(8) 0.060(3) Uani 1 1 d . . . . .
O2 O 0.9681(11) 0.4678(15) 0.6008(6) 0.041(2) Uani 1 1 d . . . . .
N3 N 0.2721(10) 0.802(2) 0.5500(7) 0.038(2) Uani 1 1 d . . . . .
O3 O 0.8861(14) 0.0602(18) 0.5994(7) 0.055(3) Uani 1 1 d . . . . .
N2 N 0.5313(11) 0.8700(18) 0.5591(7) 0.039(2) Uani 1 1 d . . . . .
C11 C 0.8886(13) 0.366(2) 0.7375(8) 0.037(3) Uani 1 1 d . . . . .
C1 C 0.4560(13) 0.871(2) 0.6301(8) 0.040(3) Uani 1 1 d . . . . .
H1 H 0.4927 0.8928 0.6848 0.048 Uiso 1 1 calc R . . . .
C14 C 0.9297(14) 0.172(2) 0.7434(9) 0.041(3) Uani 1 1 d . . . . .
C10 C 0.8833(13) 0.493(2) 0.6573(8) 0.036(3) Uani 1 1 d . . . . .
C4 C 0.4733(10) 0.840(2) 0.4818(7) 0.031(2) Uani 1 1 d D . . . .
C2 C 0.3294(13) 0.842(2) 0.6259(8) 0.038(3) Uani 1 1 d . . . . .
H2 H 0.2819 0.8496 0.6769 0.046 Uiso 1 1 calc R . . . .
C3 C 0.3425(12) 0.801(3) 0.4778(8) 0.044(3) Uani 1 1 d . . . . .
H3 H 0.3049 0.7745 0.4239 0.053 Uiso 1 1 calc R . . . .
C13 C 0.933(2) 0.103(3) 0.8257(11) 0.058(4) Uani 1 1 d . . . . .
H13 H 0.9594 -0.0200 0.8406 0.069 Uiso 1 1 calc R . . . .
C15 C 0.9555(13) 0.043(2) 0.6654(8) 0.039(3) Uani 1 1 d . . . . .
C12 C 0.856(2) 0.438(3) 0.8170(10) 0.060(5) Uani 1 1 d . . . . .
H12 H 0.8243 0.5611 0.8259 0.072 Uiso 1 1 calc R . . . .
C20 C 0.7011(15) 0.782(2) 0.0927(8) 0.067(5) Uani 1 1 d D U . . .
C19 C 0.7652(15) 0.890(2) 0.1676(8) 0.057(3) Uani 1 1 d D U . . .
H19A H 0.8548 0.8577 0.1742 0.068 Uiso 0.5 1 calc R . P A 1
H19 H 0.8576 0.8936 0.1701 0.068 Uiso 0.5 1 calc R . P B -1
C21 C 0.649(3) 0.585(3) 0.1156(17) 0.119(13) Uani 1 1 d D . . . .
H21A H 0.7155 0.5065 0.1388 0.178 Uiso 1 1 calc GR . . . .
H21B H 0.6144 0.5266 0.0637 0.178 Uiso 1 1 calc GR . . . .
H21C H 0.5838 0.5986 0.1587 0.178 Uiso 1 1 calc GR . . . .
C18 C 0.744(3) 1.087(3) 0.130(2) 0.057(3) Uani 0.5 1 d D U P C 1
H18A H 0.8029 1.1282 0.0859 0.068 Uiso 0.5 1 calc R . P C 1
H18B H 0.7255 1.1870 0.1729 0.068 Uiso 0.5 1 calc R . P C 1
C17 C 0.627(3) 0.969(3) 0.096(2) 0.057(3) Uani 0.5 1 d D U P C 1
H17 H 0.6022 1.0106 0.0373 0.069 Uiso 0.5 1 calc R . P C 1
C24 C 0.504(3) 0.905(7) 0.1524(17) 0.057(3) Uani 0.5 1 d D U P C -1
H24A H 0.4560 0.7878 0.1455 0.069 Uiso 0.5 1 calc R . P C -1
H24B H 0.4445 1.0105 0.1467 0.069 Uiso 0.5 1 calc R . P C -1
C22 C 0.784(2) 0.761(5) 0.0118(10) 0.108(11) Uani 1 1 d D . . . .
H22A H 0.7938 0.8836 -0.0160 0.162 Uiso 1 1 calc GR . . . .
H22B H 0.7459 0.6729 -0.0286 0.162 Uiso 1 1 calc GR . . . .
H22C H 0.8658 0.7135 0.0292 0.162 Uiso 1 1 calc GR . . . .
C6 C 0.4881(7) 0.886(3) 0.3198(6) 0.060(10) Uani 0.65 1 d D . P C 1
H6 H 0.4013 0.9029 0.3150 0.072 Uiso 0.65 1 calc R . P C 1
C5 C 0.5431(6) 0.8515(18) 0.4013(5) 0.038(3) Uani 1 1 d DG U . . .
N1 N 0.6729(7) 0.8269(14) 0.4084(4) 0.0293(19) Uani 1 1 d DG . . . .
C9 C 0.7477(6) 0.8372(16) 0.3340(5) 0.046(3) Uani 1 1 d DG . . . .
H9 H 0.8346 0.8208 0.3387 0.055 Uiso 1 1 calc R . . . .
C8 C 0.6927(9) 0.8722(19) 0.2525(4) 0.044(3) Uani 1 1 d DG U . . .
C7 C 0.5629(10) 0.897(3) 0.2454(5) 0.064(8) Uani 0.65 1 d DG U P C 1
C27 C 0.496(4) 0.904(8) 0.3186(16) 0.038(3) Uani 0.35 1 d D U P C -1
H27 H 0.4110 0.9394 0.3163 0.046 Uiso 0.35 1 calc R . P C -1
C23 C 0.5555(19) 0.909(8) 0.246(2) 0.044(3) Uani 0.35 1 d D U P C -1
C26 C 0.695(3) 1.047(4) 0.118(2) 0.057(3) Uani 0.5 1 d D U P C -1
H26A H 0.7473 1.1078 0.0740 0.068 Uiso 0.5 1 calc R . P C -1
H26B H 0.6602 1.1429 0.1569 0.068 Uiso 0.5 1 calc R . P C -1
C16 C 0.517(3) 0.993(6) 0.1600(16) 0.059(8) Uani 0.5 1 d D U P C 1
H16A H 0.4415 0.9300 0.1376 0.071 Uiso 0.5 1 calc R . P C 1
H16B H 0.4982 1.1273 0.1697 0.071 Uiso 0.5 1 calc R . P C 1
C25 C 0.593(2) 0.918(4) 0.0771(18) 0.056(5) Uani 0.5 1 d D U P C -1
H25 H 0.5613 0.9422 0.0175 0.068 Uiso 0.5 1 calc R . P C -1
O5 O 0.6781(18) 0.853(4) 0.7813(13) 0.097(6) Uani 1 1 d D . . . .
H5A H 0.7227 0.8902 0.8246 0.146 Uiso 1 1 d DG . . . .
H5B H 0.7257 0.8281 0.7381 0.146 Uiso 1 1 d DG . . . .


_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
Ag2 Ag1 3.0288(13) 1_455 ?
Ag2 O4 2.420(13) 1_465 ?
Ag2 O2 2.416(10) 1_455 ?
Ag2 O2 2.537(10) 2_656 ?
Ag2 N3 2.395(11) . ?
Ag2 O3 2.552(12) 2_656 ?
Ag1 Ag2 3.0287(13) 1_655 ?
Ag1 O1 2.244(12) . ?
Ag1 O3 2.373(12) 1_565 ?
Ag1 N2 2.542(12) . ?
Ag1 N1 2.216(6) . ?
S1 C13 1.720(19) . ?
S1 C12 1.740(18) . ?
O1 C10 1.243(19) . ?
O4 Ag2 2.420(13) 1_645 ?
O4 C15 1.24(2) . ?
O2 Ag2 2.537(10) 2_646 ?
O2 Ag2 2.416(10) 1_655 ?
O2 C10 1.262(17) . ?
N3 C2 1.333(18) . ?
N3 C3 1.334(16) . ?
O3 Ag2 2.552(12) 2_646 ?
O3 Ag1 2.373(12) 1_545 ?
O3 C15 1.248(19) . ?
N2 C1 1.349(17) . ?
N2 C4 1.341(16) . ?
C11 C14 1.42(2) . ?
C11 C10 1.512(17) . ?
C11 C12 1.36(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.36(2) . ?
C14 C13 1.34(2) . ?
C14 C15 1.518(18) . ?
C4 C3 1.413(17) . ?
C4 C5 1.440(11) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C13 H13 0.9300 . ?
C12 H12 0.9300 . ?
C20 C19 1.523(13) . ?
C20 C21 1.521(14) . ?
C20 C17 1.527(14) . ?
C20 C22 1.529(12) . ?
C20 C25 1.507(14) . ?
C19 H19A 0.9800 . ?
C19 H19 0.9800 . ?
C19 C18 1.507(14) . ?
C19 C8 1.514(11) . ?
C19 C26 1.522(14) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C17 1.57(2) . ?
C18 C26 0.62(4) . ?
C17 H17 0.9800 . ?
C17 C24 1.62(2) . ?
C17 C26 0.96(4) . ?
C17 C16 1.53(2) . ?
C17 C25 0.59(4) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C7 1.55(3) . ?
C24 C23 1.53(2) . ?
C24 C16 0.64(5) . ?
C24 C25 1.49(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C6 H6 0.9300 . ?
C6 C5 1.3900 . ?
C6 C7 1.3900 . ?
C6 C23 1.34(3) . ?
C5 N1 1.3900 . ?
C5 C27 1.402(19) . ?
N1 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C8 1.3900 . ?
C8 C7 1.3900 . ?
C8 C23 1.479(18) . ?
C7 C27 1.33(4) . ?
C7 C16 1.54(2) . ?
C27 H27 0.9300 . ?
C27 C23 1.28(5) . ?
C23 C16 1.49(4) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C16 2.04(5) . ?
C26 C25 1.54(2) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C25 1.59(4) . ?
C25 H25 0.9800 . ?
O5 H5A 0.8500 . ?
O5 H5B 0.8499 . ?

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
O4 Ag2 Ag1 83.8(3) 1_465 1_455 ?
O4 Ag2 O2 115.1(4) 1_465 2_656 ?
O4 Ag2 O3 165.1(4) 1_465 2_656 ?
O2 Ag2 Ag1 83.5(3) 2_656 1_455 ?
O2 Ag2 Ag1 74.3(3) 1_455 1_455 ?
O2 Ag2 O4 91.4(4) 1_455 1_465 ?
O2 Ag2 O2 143.3(2) 1_455 2_656 ?
O2 Ag2 O3 71.5(3) 2_656 2_656 ?
O2 Ag2 O3 89.2(4) 1_455 2_656 ?
N3 Ag2 Ag1 164.2(3) . 1_455 ?
N3 Ag2 O4 83.2(4) . 1_465 ?
N3 Ag2 O2 94.0(4) . 2_656 ?
N3 Ag2 O2 114.9(4) . 1_455 ?
N3 Ag2 O3 83.1(4) . 2_656 ?
O3 Ag2 Ag1 110.6(3) 2_656 1_455 ?
O1 Ag1 Ag2 78.7(3) . 1_655 ?
O1 Ag1 O3 93.1(5) . 1_565 ?
O1 Ag1 N2 98.8(4) . . ?
O3 Ag1 Ag2 64.0(4) 1_565 1_655 ?
O3 Ag1 N2 110.2(5) 1_565 . ?
N2 Ag1 Ag2 173.3(3) . 1_655 ?
N1 Ag1 Ag2 114.78(18) . 1_655 ?
N1 Ag1 O1 144.7(4) . . ?
N1 Ag1 O3 122.2(4) . 1_565 ?
N1 Ag1 N2 70.8(3) . . ?
C13 S1 C12 91.7(8) . . ?
C10 O1 Ag1 122.0(9) . . ?
C15 O4 Ag2 105.3(10) . 1_645 ?
Ag2 O2 Ag2 99.7(3) 1_655 2_646 ?
C10 O2 Ag2 115.3(9) . 1_655 ?
C10 O2 Ag2 125.9(10) . 2_646 ?
C2 N3 Ag2 123.9(8) . . ?
C2 N3 C3 117.5(11) . . ?
C3 N3 Ag2 118.3(9) . . ?
Ag1 O3 Ag2 103.8(4) 1_545 2_646 ?
C15 O3 Ag2 122.4(10) . 2_646 ?
C15 O3 Ag1 123.6(11) . 1_545 ?
C1 N2 Ag1 133.0(9) . . ?
C4 N2 Ag1 107.9(8) . . ?
C4 N2 C1 115.8(11) . . ?
C14 C11 C10 128.3(13) . . ?
C12 C11 C14 112.2(14) . . ?
C12 C11 C10 119.5(14) . . ?
N2 C1 H1 118.3 . . ?
N2 C1 C2 123.5(12) . . ?
C2 C1 H1 118.3 . . ?
C11 C14 C15 124.9(14) . . ?
C13 C14 C11 113.9(14) . . ?
C13 C14 C15 121.0(15) . . ?
O1 C10 O2 127.2(13) . . ?
O1 C10 C11 116.3(12) . . ?
O2 C10 C11 116.5(12) . . ?
N2 C4 C3 120.8(10) . . ?
N2 C4 C5 120.3(10) . . ?
C3 C4 C5 119.0(10) . . ?
N3 C2 C1 121.1(11) . . ?
N3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
N3 C3 C4 121.2(12) . . ?
N3 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
S1 C13 H13 124.3 . . ?
C14 C13 S1 111.3(14) . . ?
C14 C13 H13 124.3 . . ?
O4 C15 O3 125.1(14) . . ?
O4 C15 C14 117.3(13) . . ?
O3 C15 C14 117.6(14) . . ?
S1 C12 H12 124.6 . . ?
C11 C12 S1 110.9(13) . . ?
C11 C12 H12 124.6 . . ?
C19 C20 C17 77.1(18) . . ?
C19 C20 C22 113.2(13) . . ?
C21 C20 C19 115.8(13) . . ?
C21 C20 C17 125(2) . . ?
C21 C20 C22 108.2(17) . . ?
C17 C20 C22 114.4(18) . . ?
C25 C20 C19 98.2(17) . . ?
C25 C20 C21 109(2) . . ?
C25 C20 C17 22.2(14) . . ?
C25 C20 C22 112.1(17) . . ?
C20 C19 H19A 113.0 . . ?
C20 C19 H19 118.9 . . ?
H19A C19 H19 15.3 . . ?
C18 C19 C20 96.0(17) . . ?
C18 C19 H19A 113.0 . . ?
C18 C19 H19 97.9 . . ?
C18 C19 C8 108.6(18) . . ?
C18 C19 C26 23.5(14) . . ?
C8 C19 C20 111.9(11) . . ?
C8 C19 H19A 113.0 . . ?
C8 C19 H19 118.9 . . ?
C8 C19 C26 103.5(18) . . ?
C26 C19 C20 76.7(17) . . ?
C26 C19 H19A 133.2 . . ?
C26 C19 H19 118.9 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C18 H18A 115.8 . . ?
C19 C18 H18B 115.8 . . ?
C19 C18 C17 76.2(18) . . ?
H18A C18 H18B 112.8 . . ?
C17 C18 H18A 115.8 . . ?
C17 C18 H18B 115.8 . . ?
C26 C18 C19 79.6(19) . . ?
C26 C18 H18A 117.5 . . ?
C26 C18 H18B 111.4 . . ?
C26 C18 C17 5(4) . . ?
C20 C17 C18 93.1(18) . . ?
C20 C17 H17 110.6 . . ?
C20 C17 C24 102(2) . . ?
C20 C17 C16 121(2) . . ?
C18 C17 H17 110.6 . . ?
C18 C17 C24 127(3) . . ?
C24 C17 H17 110.8 . . ?
C26 C17 C20 96(3) . . ?
C26 C17 C18 3(2) . . ?
C26 C17 H17 110.1 . . ?
C26 C17 C24 126(4) . . ?
C26 C17 C16 107(4) . . ?
C16 C17 C18 110(3) . . ?
C16 C17 H17 110.6 . . ?
C16 C17 C24 23.0(18) . . ?
C25 C17 C20 77(2) . . ?
C25 C17 C18 165(4) . . ?
C25 C17 H17 63.9 . . ?
C25 C17 C24 67(3) . . ?
C25 C17 C26 167(5) . . ?
C25 C17 C16 85(3) . . ?
C17 C24 H24A 126.6 . . ?
C17 C24 H24B 105.5 . . ?
H24A C24 H24B 106.9 . . ?
C7 C24 C17 100(2) . . ?
C7 C24 H24A 106.0 . . ?
C7 C24 H24B 111.7 . . ?
C23 C24 C17 102(3) . . ?
C23 C24 H24A 107.4 . . ?
C23 C24 H24B 107.4 . . ?
C23 C24 C7 4.3(17) . . ?
C16 C24 C17 70(3) . . ?
C16 C24 H24A 160.6 . . ?
C16 C24 H24B 55.2 . . ?
C16 C24 C7 78(4) . . ?
C16 C24 C23 75(4) . . ?
C16 C24 C25 87(3) . . ?
C25 C24 C17 21.1(14) . . ?
C25 C24 H24A 107.4 . . ?
C25 C24 H24B 107.4 . . ?
C25 C24 C7 117(2) . . ?
C25 C24 C23 120(3) . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C23 C6 H6 116.9 . . ?
C23 C6 C5 123.0(9) . . ?
C23 C6 C7 4(2) . . ?
C6 C5 C4 123.8(7) . . ?
C6 C5 N1 120.0 . . ?
C6 C5 C27 6(3) . . ?
N1 C5 C4 116.2(7) . . ?
N1 C5 C27 117(2) . . ?
C27 C5 C4 127(2) . . ?
C5 N1 Ag1 120.6(4) . . ?
C9 N1 Ag1 119.0(4) . . ?
C9 N1 C5 120.0 . . ?
N1 C9 H9 120.0 . . ?
N1 C9 C8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C8 C19 124.4(9) . . ?
C9 C8 C23 119.6(14) . . ?
C7 C8 C19 115.6(9) . . ?
C7 C8 C9 120.0 . . ?
C7 C8 C23 3(2) . . ?
C23 C8 C19 115.9(15) . . ?
C6 C7 C24 121.3(11) . . ?
C6 C7 C16 122.1(11) . . ?
C8 C7 C24 118.0(11) . . ?
C8 C7 C6 120.0 . . ?
C8 C7 C16 115.3(13) . . ?
C27 C7 C24 123(2) . . ?
C27 C7 C6 6(3) . . ?
C27 C7 C8 118.4(15) . . ?
C27 C7 C16 121.5(19) . . ?
C16 C7 C24 23.8(18) . . ?
C5 C27 H27 116.4 . . ?
C7 C27 C5 124(3) . . ?
C7 C27 H27 120.0 . . ?
C23 C27 C5 127(3) . . ?
C23 C27 C7 5(2) . . ?
C23 C27 H27 116.4 . . ?
C6 C23 C24 126.2(19) . . ?
C6 C23 C8 117(2) . . ?
C6 C23 C16 129.5(19) . . ?
C8 C23 C24 114(2) . . ?
C8 C23 C16 113(2) . . ?
C27 C23 C24 129(3) . . ?
C27 C23 C6 6(3) . . ?
C27 C23 C8 116(3) . . ?
C27 C23 C16 129(3) . . ?
C16 C23 C24 24.3(19) . . ?
C19 C26 H26A 112.4 . . ?
C19 C26 H26B 112.4 . . ?
C19 C26 C16 99(2) . . ?
C19 C26 C25 96.9(18) . . ?
C18 C26 C19 76.9(19) . . ?
C18 C26 C17 172(6) . . ?
C18 C26 H26A 62.1 . . ?
C18 C26 H26B 79.4 . . ?
C18 C26 C16 140(6) . . ?
C18 C26 C25 168(6) . . ?
C17 C26 C19 97(3) . . ?
C17 C26 H26A 116.3 . . ?
C17 C26 H26B 107.9 . . ?
C17 C26 C16 46(3) . . ?
C17 C26 C25 4.8(18) . . ?
H26A C26 H26B 109.9 . . ?
C16 C26 H26A 146.5 . . ?
C16 C26 H26B 64.9 . . ?
C25 C26 H26A 112.4 . . ?
C25 C26 H26B 112.4 . . ?
C25 C26 C16 50.6(19) . . ?
C17 C16 C7 104(2) . . ?
C17 C16 C26 26.8(16) . . ?
C17 C16 H16A 110.9 . . ?
C17 C16 H16B 110.9 . . ?
C17 C16 C25 21.5(13) . . ?
C24 C16 C17 87(3) . . ?
C24 C16 C7 79(4) . . ?
C24 C16 C23 81(4) . . ?
C24 C16 C26 109(3) . . ?
C24 C16 H16A 47.7 . . ?
C24 C16 H16B 155.9 . . ?
C24 C16 C25 69(3) . . ?
C7 C16 C26 93.2(16) . . ?
C7 C16 H16A 110.9 . . ?
C7 C16 H16B 110.9 . . ?
C7 C16 C25 111.6(19) . . ?
C23 C16 C17 108(2) . . ?
C23 C16 C7 4.0(16) . . ?
C23 C16 C26 95.7(19) . . ?
C23 C16 H16A 110.7 . . ?
C23 C16 H16B 107.5 . . ?
C23 C16 C25 116(2) . . ?
C26 C16 H16A 137.4 . . ?
C26 C16 H16B 93.3 . . ?
H16A C16 H16B 108.9 . . ?
C25 C16 C26 48.3(13) . . ?
C25 C16 H16A 89.5 . . ?
C25 C16 H16B 122.8 . . ?
C20 C25 C26 76.7(17) . . ?
C20 C25 C16 118(2) . . ?
C20 C25 H25 120.6 . . ?
C17 C25 C20 81(2) . . ?
C17 C25 C24 92(3) . . ?
C17 C25 C26 8(3) . . ?
C17 C25 C16 73(3) . . ?
C17 C25 H25 124.4 . . ?
C24 C25 C20 109(2) . . ?
C24 C25 C26 100(3) . . ?
C24 C25 C16 23.5(17) . . ?
C24 C25 H25 120.6 . . ?
C26 C25 C16 81(3) . . ?
C26 C25 H25 120.6 . . ?
C16 C25 H25 120.5 . . ?
H5A O5 H5B 109.5 . . ?

_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 3.079
_oxdiff_exptl_absorpt_empirical_full_min 0.351
# start Validation Reply Form
_vrf_PLAT420_exp_2489            
;
PROBLEM: D-H Bond Without Acceptor O5 --H5A . Please Check
RESPONSE: The hydroxyl group, O5-H5A, does not act as a H atom donor in a 
H-bonding interaction.
;
_vrf_PLAT915_exp_2489            
;
PROBLEM: No Flack x Check Done: Low Friedel Pair Coverage 41 %
RESPONSE: Moderate data quality with unknown absolute configureation
;
# end Validation Reply Form
####################################################################### 
# 
# 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_exp_2508
_database_code_depnum_ccdc_archive 'CCDC 2095024'
_audit_update_record             
;
2021-10-21 deposited with the CCDC.	2021-11-24 downloaded from the CCDC.
;
_audit_creation_date             2021-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.18 svn.r3501 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H19 Ag2 N3 O4 S, H2 O'
_chemical_formula_sum            'C22 H21 Ag2 N3 O5 S'
_chemical_formula_weight         655.22
_chemical_absolute_configuration unk
_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'
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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.5969(3)
_cell_length_b                   6.9791(2)
_cell_length_c                   15.2394(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.369(2)
_cell_angle_gamma                90
_cell_volume                     1127.03(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2916
_cell_measurement_temperature    294.48(10)
_cell_measurement_theta_max      72.4830
_cell_measurement_theta_min      4.1330
_shelx_estimated_absorpt_T_max   0.751
_shelx_estimated_absorpt_T_min   0.518
_exptl_absorpt_coefficient_mu    15.155
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_unetI/netI     0.0774
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4287
_diffrn_reflns_point_group_measured_fraction_full 0.753
_diffrn_reflns_point_group_measured_fraction_max 0.722
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.670
_diffrn_reflns_theta_min         4.172
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.48(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3031
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -65.00  16.00   1.00    1.50    --  -40.80  38.00 120.00   81
  2  ω    -52.00 -15.00   1.00    1.50    --  -40.80 125.00 120.00   37
  3  ω    -25.00  77.00   1.00    1.50    --   40.80 -19.00 -90.00  102
  4  ω     74.00 166.00   1.00    6.00    --  105.27  77.00-150.00   92
  5  ω     36.00 125.00   1.00    6.00    --  105.27 -45.00  60.00   89
  6  ω    104.00 173.00   1.00    6.00    --  105.27  45.00 150.00   69
  7  ω     35.00 116.00   1.00    6.00    --  105.27-125.00  30.00   81
  8  ω     89.00 167.00   1.00    6.00    --  105.27  45.00 -90.00   78
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0490594000
_diffrn_orient_matrix_UB_12      0.1074562000
_diffrn_orient_matrix_UB_13      -0.0811767000
_diffrn_orient_matrix_UB_21      -0.0984263000
_diffrn_orient_matrix_UB_22      -0.1034064000
_diffrn_orient_matrix_UB_23      -0.0578144000
_diffrn_orient_matrix_UB_31      -0.0950676000
_diffrn_orient_matrix_UB_32      0.1627576000
_diffrn_orient_matrix_UB_33      0.0169872000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.361
_reflns_Friedel_fraction_full    0.457
_reflns_Friedel_fraction_max     0.419
_reflns_number_gt                3003
_reflns_number_total             3244
_reflns_odcompleteness_completeness 99.95
_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.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.759
_refine_diff_density_min         -1.147
_refine_diff_density_rms         0.181
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.03(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         3244
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0629
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1241P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1766
_refine_ls_wR_factor_ref         0.1865
_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, All O(H,H) groups
2. Restrained distances
 C18-C19
 1.55 with sigma of 0.02
 C17-C16
 1.55 with sigma of 0.02
 C17-C20
 1.55 with sigma of 0.02
 C26-C19
 1.55 with sigma of 0.02
 C26-C25
 1.55 with sigma of 0.02
 C25-C24
 1.55 with sigma of 0.02
 C20-C25
 1.55 with sigma of 0.02
 C16-C23 = C23-C24
 1.55 with sigma of 0.02
 C23-C6
 1.38 with sigma of 0.02
 C23-C8
 1.38 with sigma of 0.02
 C7-C16
 1.55 with sigma of 0.02
 C7-C6
 1.38 with sigma of 0.02
 C7-C8
 1.38 with sigma of 0.02
3. Rigid bond restraints
 C16
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C24
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C17, C19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C25, C20
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C7, C6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C23, C6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C16: within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
C24: within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
C17 \\sim C20: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
C25 \\sim C20: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
C7 \\sim C6: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
C23 \\sim C6: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.002
Uanis(C16) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C26) \\sim Ueq, Uanis(C18) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C24) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Others
 Fixed Sof: H19(0.5) H19A(0.5) H6B(0.5) H6A(0.5) C23(0.5) C18(0.5) H18A(0.5)
 H18B(0.5) C17(0.5) H17(0.5) C16(0.5) H16A(0.5) H16B(0.5) C26(0.5) H26A(0.5)
 H26B(0.5) C25(0.5) H25(0.5) C24(0.5) H24A(0.5) H24B(0.5) C7(0.5)
6.a Riding coordinates:
 O5(H5A,H5B)
6.b Ternary CH refined with riding coordinates:
 C19(H19), C19(H19A), C17(H17), C25(H25)
6.c Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C16(H16A,H16B), C26(H26A,H26B), C24(H24A,H24B)
6.d Aromatic/amide H refined with riding coordinates:
 C1AA(H1AA), C2(H2), C13(H13), C3(H3), C12(H12), C6(H6B), C6(H6A), C9(H9)
6.e Fitted hexagon refined as free rotating group:
 C6(C5,N1,C9,C8,C23)
6.f Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C21(H21A,H21B,H21C)
;
_atom_sites_solution_hydrogens   mixed
_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
Ag2 Ag 1.04923(8) 0.24298(16) 0.53427(6) 0.0422(3) Uani 1 1 d . . . . .
Ag1 Ag 0.76519(9) 0.19406(19) 0.53890(7) 0.0479(4) Uani 1 1 d . . . . .
S7 S 0.8810(6) 0.7276(9) 0.8999(2) 0.0756(14) Uani 1 1 d . . . . .
O1 O 0.7977(11) 0.384(2) 0.6554(8) 0.052(3) Uani 1 1 d . . . . .
O2 O 0.9672(11) 0.5296(17) 0.6004(7) 0.045(2) Uani 1 1 d . . . . .
N3 N 0.2715(10) 0.197(2) 0.5504(8) 0.041(3) Uani 1 1 d . . . . .
O4 O 1.0429(12) 1.077(3) 0.6727(9) 0.066(4) Uani 1 1 d . . . . .
N2 N 0.5308(12) 0.128(2) 0.5579(9) 0.042(3) Uani 1 1 d . . . . .
C14 C 0.9315(13) 0.826(3) 0.7414(9) 0.041(3) Uani 1 1 d . . . . .
O3 O 0.8886(15) 0.9389(18) 0.5993(8) 0.059(3) Uani 1 1 d . . . . .
C1AA C 0.4589(14) 0.129(2) 0.6315(9) 0.042(3) Uani 1 1 d . . . . .
H1AA H 0.4970 0.1095 0.6859 0.050 Uiso 1 1 calc R . . . .
C10 C 0.8821(12) 0.510(2) 0.6592(9) 0.036(3) Uani 1 1 d . . . . .
C19 C 0.7658(18) 0.113(3) 0.1683(10) 0.056(4) Uani 1 1 d D U . . .
H19 H 0.8581 0.1164 0.1713 0.067 Uiso 0.5 1 calc R . P A 1
H19A H 0.8539 0.1525 0.1756 0.067 Uiso 0.5 1 calc R . P B 2
C4 C 0.4713(13) 0.1579(19) 0.4820(9) 0.035(3) Uani 1 1 d . . . . .
C2 C 0.3284(15) 0.159(2) 0.6269(10) 0.047(3) Uani 1 1 d . . . . .
H2 H 0.2807 0.1532 0.6778 0.056 Uiso 1 1 calc R . . . .
C13 C 0.9321(18) 0.895(3) 0.8257(11) 0.054(4) Uani 1 1 d . . . . .
H13 H 0.9574 1.0178 0.8409 0.065 Uiso 1 1 calc R . . . .
C3 C 0.3456(13) 0.198(3) 0.4774(9) 0.044(3) Uani 1 1 d . . . . .
H3 H 0.3093 0.2266 0.4232 0.053 Uiso 1 1 calc R . . . .
C20 C 0.6995(15) 0.221(3) 0.0944(9) 0.059(4) Uani 1 1 d D U . . .
O5 O 0.6764(17) 0.146(4) 0.7773(14) 0.102(7) Uani 1 1 d . . . . .
H5A H 0.7130 0.1256 0.7246 0.153 Uiso 1 1 d R . . . .
H5B H 0.6813 0.2741 0.7856 0.153 Uiso 1 1 d R . . . .
C11 C 0.8857(15) 0.635(2) 0.7370(10) 0.042(3) Uani 1 1 d . . . . .
C12 C 0.863(2) 0.560(3) 0.8181(11) 0.061(5) Uani 1 1 d . . . . .
H12 H 0.8399 0.4336 0.8279 0.074 Uiso 1 1 calc R . . . .
C15 C 0.9561(17) 0.960(2) 0.6679(10) 0.045(3) Uani 1 1 d . . . . .
C22 C 0.787(3) 0.234(6) 0.0121(12) 0.099(10) Uani 1 1 d . . . . .
H22A H 0.8582 0.3134 0.0253 0.149 Uiso 1 1 calc GR . . . .
H22B H 0.7403 0.2874 -0.0362 0.149 Uiso 1 1 calc GR . . . .
H22C H 0.8155 0.1075 -0.0033 0.149 Uiso 1 1 calc GR . . . .
C6 C 0.4887(7) 0.108(2) 0.3210(6) 0.054(3) Uani 1 1 d D U . . .
H6B H 0.4019 0.0903 0.3168 0.064 Uiso 0.5 1 calc R . P C 2
H6A H 0.4014 0.0965 0.3165 0.064 Uiso 0.5 1 calc R . P D 1
C5 C 0.5444(7) 0.1426(16) 0.4023(5) 0.039(3) Uani 1 1 d G . . E .
N1 N 0.6741(7) 0.1692(16) 0.4087(4) 0.039(2) Uani 1 1 d G . . E .
C9 C 0.7481(6) 0.1611(17) 0.3338(5) 0.052(4) Uani 1 1 d G . . E .
H9 H 0.8349 0.1789 0.3381 0.063 Uiso 1 1 calc R . . . .
C8 C 0.6924(9) 0.127(2) 0.2525(5) 0.047(4) Uani 1 1 d DG . . E .
C23 C 0.5627(10) 0.100(3) 0.2461(5) 0.054(3) Uani 0.5 1 d DG U P E 2
C18 C 0.700(4) -0.055(5) 0.117(3) 0.056(8) Uani 0.5 1 d D U P E 1
H18A H 0.7535 -0.1093 0.0716 0.068 Uiso 0.5 1 calc R . P E 1
H18B H 0.6691 -0.1553 0.1550 0.068 Uiso 0.5 1 calc R . P E 1
C17 C 0.597(3) 0.071(6) 0.0805(19) 0.059(4) Uani 0.5 1 d D U P E 1
H17 H 0.5667 0.0470 0.0206 0.071 Uiso 0.5 1 calc R . P E 1
C16 C 0.498(3) 0.094(6) 0.1544(13) 0.051(7) Uani 0.5 1 d D U P E 1
H16A H 0.4374 -0.0098 0.1506 0.061 Uiso 0.5 1 calc R . P E 1
H16B H 0.4534 0.2136 0.1467 0.061 Uiso 0.5 1 calc R . P E 1
C26 C 0.754(4) -0.090(4) 0.133(3) 0.062(9) Uani 0.5 1 d D U P E 2
H26A H 0.7349 -0.1876 0.1765 0.075 Uiso 0.5 1 calc R . P E 2
H26B H 0.8178 -0.1294 0.0920 0.075 Uiso 0.5 1 calc R . P E 2
C25 C 0.637(3) 0.016(4) 0.093(2) 0.059(4) Uani 0.5 1 d D U P E 2
H25 H 0.6152 -0.0283 0.0340 0.071 Uiso 0.5 1 calc R . P E 2
C24 C 0.525(3) 0.013(6) 0.1576(16) 0.054(8) Uani 0.5 1 d D U P E 2
H24A H 0.4548 0.0856 0.1328 0.065 Uiso 0.5 1 calc R . P E 2
H24B H 0.4965 -0.1178 0.1661 0.065 Uiso 0.5 1 calc R . P E 2
C7 C 0.5630(18) 0.091(7) 0.2462(13) 0.054(3) Uani 0.5 1 d D U P E 1
C21 C 0.650(4) 0.422(5) 0.1160(18) 0.129(16) Uani 1 1 d . . . . .
H21A H 0.5887 0.4135 0.1618 0.194 Uiso 1 1 calc GR . . . .
H21B H 0.6123 0.4772 0.0646 0.194 Uiso 1 1 calc GR . . . .
H21C H 0.7192 0.5011 0.1353 0.194 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
Ag2 Ag1 3.0306(14) . ?
Ag2 O2 2.541(11) 2_746 ?
Ag2 O2 2.404(11) . ?
Ag2 N3 2.388(11) 1_655 ?
Ag2 O4 2.407(13) 1_545 ?
Ag2 O3 2.543(14) 2_746 ?
Ag1 O1 2.241(12) . ?
Ag1 N2 2.544(13) . ?
Ag1 O3 2.390(12) 1_545 ?
Ag1 N1 2.207(6) . ?
S7 C13 1.71(2) . ?
S7 C12 1.72(2) . ?
O1 C10 1.256(19) . ?
O2 Ag2 2.541(11) 2_756 ?
O2 C10 1.283(16) . ?
N3 Ag2 2.388(10) 1_455 ?
N3 C2 1.33(2) . ?
N3 C3 1.366(18) . ?
O4 Ag2 2.407(13) 1_565 ?
O4 C15 1.23(2) . ?
N2 C1AA 1.361(19) . ?
N2 C4 1.330(19) . ?
C14 C13 1.37(2) . ?
C14 C11 1.42(2) . ?
C14 C15 1.48(2) . ?
O3 Ag2 2.543(14) 2_756 ?
O3 Ag1 2.390(12) 1_565 ?
O3 C15 1.27(2) . ?
C1AA H1AA 0.9300 . ?
C1AA C2 1.40(2) . ?
C10 C11 1.47(2) . ?
C19 H19 0.9800 . ?
C19 H19A 0.9800 . ?
C19 C20 1.52(2) . ?
C19 C8 1.508(16) . ?
C19 C18 1.57(2) . ?
C19 C26 1.52(2) . ?
C4 C3 1.36(2) . ?
C4 C5 1.448(14) . ?
C2 H2 0.9300 . ?
C13 H13 0.9300 . ?
C3 H3 0.9300 . ?
C20 C22 1.57(2) . ?
C20 C17 1.52(2) . ?
C20 C25 1.57(2) . ?
C20 C21 1.53(4) . ?
O5 H5A 0.9056 . ?
O5 H5B 0.9071 . ?
C11 C12 1.36(2) . ?
C12 H12 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C6 H6B 0.9300 . ?
C6 H6A 0.9300 . ?
C6 C5 1.3900 . ?
C6 C23 1.3900 . ?
C6 C7 1.396(19) . ?
C5 N1 1.3900 . ?
N1 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C8 1.3900 . ?
C8 C23 1.3900 . ?
C8 C7 1.397(19) . ?
C23 C24 1.53(2) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C17 1.51(6) . ?
C17 H17 0.9800 . ?
C17 C16 1.55(2) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C7 1.55(2) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C25 1.56(2) . ?
C25 H25 0.9800 . ?
C25 C24 1.55(2) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ag2 Ag1 73.9(3) . . ?
O2 Ag2 Ag1 83.7(3) 2_746 . ?
O2 Ag2 O2 143.4(2) . 2_746 ?
O2 Ag2 O4 91.2(5) . 1_545 ?
O2 Ag2 O3 89.1(4) . 2_746 ?
O2 Ag2 O3 71.7(4) 2_746 2_746 ?
N3 Ag2 Ag1 164.0(4) 1_655 . ?
N3 Ag2 O2 115.3(5) 1_655 . ?
N3 Ag2 O2 93.8(4) 1_655 2_746 ?
N3 Ag2 O4 83.0(4) 1_655 1_545 ?
N3 Ag2 O3 84.0(5) 1_655 2_746 ?
O4 Ag2 Ag1 83.8(3) 1_545 . ?
O4 Ag2 O2 115.1(5) 1_545 2_746 ?
O4 Ag2 O3 165.7(4) 1_545 2_746 ?
O3 Ag2 Ag1 110.0(3) 2_746 . ?
O1 Ag1 Ag2 78.7(3) . . ?
O1 Ag1 N2 99.3(4) . . ?
O1 Ag1 O3 93.1(5) . 1_545 ?
N2 Ag1 Ag2 173.4(3) . . ?
O3 Ag1 Ag2 63.4(4) 1_545 . ?
O3 Ag1 N2 110.7(5) 1_545 . ?
N1 Ag1 Ag2 114.6(2) . . ?
N1 Ag1 O1 145.4(5) . . ?
N1 Ag1 N2 70.5(4) . . ?
N1 Ag1 O3 121.5(4) . 1_545 ?
C13 S7 C12 91.0(9) . . ?
C10 O1 Ag1 123.8(9) . . ?
Ag2 O2 Ag2 99.9(3) . 2_756 ?
C10 O2 Ag2 117.6(10) . . ?
C10 O2 Ag2 125.5(10) . 2_756 ?
C2 N3 Ag2 123.8(8) . 1_455 ?
C2 N3 C3 117.0(11) . . ?
C3 N3 Ag2 119.1(9) . 1_455 ?
C15 O4 Ag2 107.0(11) . 1_565 ?
C1AA N2 Ag1 130.2(10) . . ?
C4 N2 Ag1 109.3(9) . . ?
C4 N2 C1AA 116.9(12) . . ?
C13 C14 C11 111.7(15) . . ?
C13 C14 C15 119.4(16) . . ?
C11 C14 C15 128.1(13) . . ?
Ag1 O3 Ag2 103.7(4) 1_565 2_756 ?
C15 O3 Ag2 124.9(12) . 2_756 ?
C15 O3 Ag1 122.4(11) . 1_565 ?
N2 C1AA H1AA 119.4 . . ?
N2 C1AA C2 121.2(13) . . ?
C2 C1AA H1AA 119.4 . . ?
O1 C10 O2 123.1(13) . . ?
O1 C10 C11 117.8(12) . . ?
O2 C10 C11 119.0(13) . . ?
C20 C19 H19 118.6 . . ?
C20 C19 H19A 112.4 . . ?
C20 C19 C18 78(2) . . ?
C8 C19 H19 118.6 . . ?
C8 C19 H19A 112.4 . . ?
C8 C19 C20 111.2(15) . . ?
C8 C19 C18 104.1(19) . . ?
C8 C19 C26 108(2) . . ?
C18 C19 H19 118.6 . . ?
C26 C19 H19A 112.4 . . ?
C26 C19 C20 99.4(19) . . ?
N2 C4 C3 122.3(13) . . ?
N2 C4 C5 117.7(12) . . ?
C3 C4 C5 120.0(12) . . ?
N3 C2 C1AA 121.0(12) . . ?
N3 C2 H2 119.5 . . ?
C1AA C2 H2 119.5 . . ?
S7 C13 H13 123.7 . . ?
C14 C13 S7 112.5(15) . . ?
C14 C13 H13 123.7 . . ?
N3 C3 H3 119.2 . . ?
C4 C3 N3 121.6(13) . . ?
C4 C3 H3 119.2 . . ?
C19 C20 C22 110.4(18) . . ?
C19 C20 C17 95.1(19) . . ?
C19 C20 C25 75.6(17) . . ?
C19 C20 C21 116.7(16) . . ?
C22 C20 C25 107(2) . . ?
C17 C20 C22 110.6(19) . . ?
C17 C20 C21 115(3) . . ?
C21 C20 C22 109(2) . . ?
C21 C20 C25 134(2) . . ?
H5A O5 H5B 104.6 . . ?
C14 C11 C10 126.9(14) . . ?
C12 C11 C14 112.3(15) . . ?
C12 C11 C10 119.9(15) . . ?
S7 C12 H12 123.9 . . ?
C11 C12 S7 112.2(15) . . ?
C11 C12 H12 123.9 . . ?
O4 C15 C14 120.5(15) . . ?
O4 C15 O3 122.7(15) . . ?
O3 C15 C14 116.7(15) . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C5 C6 H6B 120.0 . . ?
C5 C6 H6A 119.8 . . ?
C5 C6 C23 120.0 . . ?
C5 C6 C7 120.3(8) . . ?
C23 C6 H6B 120.0 . . ?
C7 C6 H6A 119.8 . . ?
C6 C5 C4 122.2(7) . . ?
N1 C5 C4 117.7(7) . . ?
N1 C5 C6 120.0 . . ?
C5 N1 Ag1 120.0(4) . . ?
C5 N1 C9 120.0 . . ?
C9 N1 Ag1 119.7(4) . . ?
N1 C9 H9 120.0 . . ?
C8 C9 N1 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C8 C19 123.5(9) . . ?
C9 C8 C23 120.0 . . ?
C9 C8 C7 120.3(8) . . ?
C23 C8 C19 116.5(9) . . ?
C7 C8 C19 116.2(12) . . ?
C6 C23 C24 126.3(13) . . ?
C8 C23 C6 120.0 . . ?
C8 C23 C24 111.7(13) . . ?
C19 C18 H18A 113.0 . . ?
C19 C18 H18B 113.0 . . ?
H18A C18 H18B 110.4 . . ?
C17 C18 C19 94(2) . . ?
C17 C18 H18A 113.0 . . ?
C17 C18 H18B 113.0 . . ?
C20 C17 H17 118.4 . . ?
C20 C17 C16 108(2) . . ?
C18 C17 C20 80(2) . . ?
C18 C17 H17 118.4 . . ?
C18 C17 C16 107(3) . . ?
C16 C17 H17 118.4 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 C7 111(2) . . ?
H16A C16 H16B 108.0 . . ?
C7 C16 H16A 109.5 . . ?
C7 C16 H16B 109.5 . . ?
C19 C26 H26A 115.8 . . ?
C19 C26 H26B 115.8 . . ?
C19 C26 C25 76.1(19) . . ?
H26A C26 H26B 112.8 . . ?
C25 C26 H26A 115.8 . . ?
C25 C26 H26B 115.8 . . ?
C20 C25 H25 113.3 . . ?
C26 C25 C20 96(2) . . ?
C26 C25 H25 113.3 . . ?
C24 C25 C20 109(3) . . ?
C24 C25 C26 111(3) . . ?
C24 C25 H25 113.3 . . ?
C23 C24 C25 111(2) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C25 C24 H24A 109.5 . . ?
C25 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
C6 C7 C8 119.1(15) . . ?
C6 C7 C16 119.1(18) . . ?
C8 C7 C16 119.2(18) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

_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 3.123
_oxdiff_exptl_absorpt_empirical_full_min 0.553
# start Validation Reply Form
_vrf_PLAT342_exp_2508            
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.0205 Ang.
RESPONSE: Disorder for which no additional modelling is proposed
;
_vrf_PLAT915_exp_2508            
;
PROBLEM: No Flack x Check Done: Low Friedel Pair Coverage 42 %
RESPONSE: Moderate data quality with unknown absolute configureation.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 2095025'
_audit_update_record             
;
2021-10-21 deposited with the CCDC.	2021-11-24 downloaded from the CCDC.
;
_audit_creation_date             2021-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.18 svn.r3501 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H40 Ag4 N8 O12'
_chemical_formula_sum            'C48 H40 Ag4 N8 O12'
_chemical_formula_weight         1352.36
_chemical_absolute_configuration unk
_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'
O O 0.0492 0.0322 '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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   7.4052(7)
_cell_length_b                   10.3072(10)
_cell_length_c                   15.8000(10)
_cell_angle_alpha                92.830(7)
_cell_angle_beta                 90.07
_cell_angle_gamma                95.982(8)
_cell_volume                     1197.91(18)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2153
_cell_measurement_temperature    294.1(8)
_cell_measurement_theta_max      71.9080
_cell_measurement_theta_min      4.3090
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.538
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0731
_diffrn_reflns_av_unetI/netI     0.1053
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7780
_diffrn_reflns_point_group_measured_fraction_full 0.591
_diffrn_reflns_point_group_measured_fraction_max 0.564
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.430
_diffrn_reflns_theta_min         4.318
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.1(8)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3031
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -107.00 -14.00   1.00    8.00    --  -40.80 -57.00-120.00   93
  2  ω    -73.00  24.00   1.00    8.00    --  -40.80  77.00 150.00   97
  3  ω    -60.00  29.00   1.00    8.00    --  -40.80  57.00  30.00   89
  4  ω    -26.00   0.00   1.00    8.00    --   40.80 -77.00 120.00   26
  5  ω     24.00 107.00   1.00   20.00    --  105.27 -95.00 120.00   83
  6  ω     83.00 127.00   1.00   20.00    --  105.27 -77.00 -30.00   44
  7  ω    126.00 178.00   1.00   20.00    --  105.27  77.00 150.00   52
  8  ω     40.00 101.00   1.00   20.00    --  105.27 -45.00 150.00   61
  9  ω     77.00 174.00   1.00   20.00    --  105.27  30.00  90.00   97
 10  ω     31.00 113.00   1.00   20.00    --  105.27 -15.00  60.00   82
 11  ω    116.00 157.00   1.00   20.00    --  105.27 -15.00  60.00   41
 12  ω     42.00  75.00   1.00   20.00    --  105.27 -77.00 -30.00   33
 13  ω     85.00 108.00   1.00   20.00    --  105.27-118.00-153.00   23
 14  ω     56.00 130.00   1.00   20.00    --  105.27 -45.00-150.00   74
 15  ω     38.00  64.00   1.00   20.00    --  105.27-118.00-153.00   26
 16  ω     59.00  97.00   1.00   20.00    --  105.27 -95.00 -30.00   38
 17  ω     60.00 102.00   1.00   20.00    --  105.27 -95.00-120.00   42
 18  ω     34.00  62.00   1.00   20.00    --  105.27-125.00 -60.00   28
 19  ω     73.00  99.00   1.00   20.00    --  105.27  77.00 150.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1133290000
_diffrn_orient_matrix_UB_12      -0.1267510000
_diffrn_orient_matrix_UB_13      -0.0320951000
_diffrn_orient_matrix_UB_21      0.0156800000
_diffrn_orient_matrix_UB_22      0.0452153000
_diffrn_orient_matrix_UB_23      -0.0914345000
_diffrn_orient_matrix_UB_31      0.1751215000
_diffrn_orient_matrix_UB_32      -0.0673103000
_diffrn_orient_matrix_UB_33      -0.0118440000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.184
_reflns_Friedel_fraction_full    0.192
_reflns_Friedel_fraction_max     0.175
_reflns_number_gt                4087
_reflns_number_total             5431
_reflns_odcompleteness_completeness 99.18
_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.
 
 _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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.541
_refine_diff_density_min         -1.172
_refine_diff_density_rms         0.276
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.03(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         5431
_refine_ls_number_restraints     67
_refine_ls_R_factor_all          0.1132
_refine_ls_R_factor_gt           0.0960
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1593P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2415
_refine_ls_wR_factor_ref         0.2714
_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. Restrained distances
 C48-C16 \\sim C48-C44
 with sigma of 0.02
3. Rigid bond restraints
 C16
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C44, C43
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C44, C45
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C45
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C42, C17
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C42, C43
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C7, C49
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C35, C7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C49, C7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C48, C16
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C46, C45
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O1, N7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C48 \\sim C16: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.001
C46 \\sim C45: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.001
N7 \\sim O1: within 1.7A with sigma of 0.001 and sigma for terminal atoms of
0.001
Uanis(C49) \\sim Ueq, Uanis(C35) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C44) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C48) \\sim Ueq, Uanis(C46) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Others
 Fixed Sof: H36(0.5) H36A(0.5) C49(0.5) H49A(0.5) H49B(0.5) C35(0.5) H35A(0.5)
 H35B(0.5)
6.a Ternary CH refined with riding coordinates:
 C38(H38), C36(H36), C36(H36A), C44(H44), C42(H42)
6.b Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B), C49(H49A,H49B), C43(H43A,H43B), C35(H35A,H35B), C48(H48A,H48B)
6.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C15(H15), C31(H31), C30(H30), C3(H3), C1(H1), C29(H29), C2(H2),
 C9(H9), C11(H11), C12(H12), C24(H24), C23(H23), C18(H18), C22(H22), C10(H10)
6.d Idealised Me refined as rotating group:
 C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C47(H47A,H47B,H47C), C46(H46A,H46B,
 H46C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Ag3 Ag 0.9513(3) 0.38947(17) 0.05666(12) 0.0639(7) Uani 1 1 d . . . . .
Ag4 Ag 0.8826(3) 0.10903(18) 0.03124(14) 0.0621(6) Uani 1 1 d . . . . .
Ag1 Ag 0.4558(3) 0.57391(17) -0.05222(13) 0.0613(6) Uani 1 1 d . . . . .
Ag2 Ag 0.4283(3) 0.28993(17) -0.06657(12) 0.0673(7) Uani 1 1 d . . . . .
C6 C 0.369(5) 0.889(3) 0.1496(16) 0.058(8) Uani 1 1 d . . . . .
H6 H 0.3606 0.9780 0.1476 0.070 Uiso 1 1 calc R . . . .
C15 C 0.951(4) 0.804(3) -0.172(2) 0.056(7) Uani 1 1 d . . . . .
H15 H 0.9769 0.7176 -0.1711 0.068 Uiso 1 1 calc R . . . .
O4 O 0.670(2) 0.5282(18) -0.1446(11) 0.056(4) Uani 1 1 d . . . . .
O3 O 0.555(2) 0.3237(17) -0.1952(9) 0.051(4) Uani 1 1 d . . . . .
C31 C 0.958(4) 0.412(3) -0.3959(15) 0.056(7) Uani 1 1 d . . . . .
H31 H 0.9426 0.4085 -0.4544 0.068 Uiso 1 1 calc R . . . .
N1 N 0.390(2) 0.6777(18) 0.0735(13) 0.044(4) Uani 1 1 d . . . . .
C7 C 0.375(4) 0.826(2) 0.2276(16) 0.055(6) Uani 1 1 d . U . . .
C16 C 0.958(6) 0.864(4) -0.250(3) 0.086(7) Uani 1 1 d D U . . .
C8 C 0.396(4) 0.691(2) 0.2285(14) 0.049(6) Uani 1 1 d . . . . .
C5 C 0.375(3) 0.810(2) 0.0779(17) 0.046(5) Uani 1 1 d . . . . .
C34 C 0.672(3) 0.429(2) -0.1929(13) 0.037(4) Uani 1 1 d . . . . .
C38 C 0.417(4) 0.637(3) 0.3122(18) 0.061(7) Uani 1 1 d . . . . .
H38 H 0.4289 0.5431 0.3119 0.073 Uiso 1 1 calc R . . . .
C39 C 0.279(4) 0.687(3) 0.3747(17) 0.061(7) Uani 1 1 d . . . . .
C32 C 0.816(4) 0.424(3) -0.3393(18) 0.057(6) Uani 1 1 d . . . . .
C36 C 0.397(5) 0.807(3) 0.3875(16) 0.065(7) Uani 1 1 d . . . . .
H36 H 0.4009 0.8479 0.4450 0.078 Uiso 0.5 1 calc R . P A -1
H36A H 0.4012 0.8463 0.4454 0.078 Uiso 0.5 1 calc R . P B 1
C37 C 0.557(5) 0.724(4) 0.363(2) 0.079(9) Uani 1 1 d . . . . .
H37A H 0.6516 0.7682 0.3298 0.094 Uiso 1 1 calc R . . . .
H37B H 0.6069 0.6823 0.4106 0.094 Uiso 1 1 calc R . . . .
C14 C 0.908(3) 0.868(2) -0.0986(17) 0.048(5) Uani 1 1 d . . . . .
C30 C 1.122(3) 0.404(3) -0.3584(18) 0.062(7) Uani 1 1 d . . . . .
H30 H 1.2237 0.4055 -0.3929 0.075 Uiso 1 1 calc R . . . .
N2 N 0.420(3) 0.803(2) -0.0770(15) 0.051(5) Uani 1 1 d . . . . .
C33 C 0.833(3) 0.419(2) -0.2527(12) 0.035(4) Uani 1 1 d . . . . .
N5 N 0.872(4) 0.877(2) 0.0535(15) 0.060(6) Uani 1 1 d . . . . .
C28 C 0.995(3) 0.404(3) -0.2183(17) 0.051(6) Uani 1 1 d . . . . .
N7 N 0.637(5) 0.441(4) -0.374(2) 0.092(5) Uani 1 1 d . U . . .
O2 O 0.547(3) 0.520(2) -0.3392(14) 0.073(5) Uani 1 1 d . . . . .
N4 N 0.876(3) 0.9887(17) -0.0969(11) 0.045(4) Uani 1 1 d . . . . .
C13 C 0.901(4) 0.804(3) -0.0138(17) 0.048(6) Uani 1 1 d . . . . .
C4 C 0.387(4) 0.875(2) -0.0068(14) 0.045(5) Uani 1 1 d . . . . .
C3 C 0.353(4) 1.004(2) -0.0142(15) 0.049(6) Uani 1 1 d . . . . .
H3 H 0.3201 1.0527 0.0336 0.059 Uiso 1 1 calc R . . . .
C1 C 0.437(5) 0.862(3) -0.1533(19) 0.068(8) Uani 1 1 d . . . . .
H1 H 0.4681 0.8155 -0.2021 0.081 Uiso 1 1 calc R . . . .
N3 N 0.365(3) 1.057(3) -0.0854(12) 0.055(6) Uani 1 1 d . . . . .
C29 C 1.147(3) 0.395(3) -0.2727(17) 0.060(7) Uani 1 1 d . . . . .
H29 H 1.2601 0.3837 -0.2508 0.072 Uiso 1 1 calc R . . . .
C2 C 0.407(5) 0.992(3) -0.1559(15) 0.061(7) Uani 1 1 d . . . . .
H2 H 0.4172 1.0338 -0.2068 0.073 Uiso 1 1 calc R . . . .
C9 C 0.394(5) 0.625(3) 0.147(2) 0.070(9) Uani 1 1 d . . . . .
H9 H 0.3963 0.5347 0.1454 0.084 Uiso 1 1 calc R . . . .
N6 N 0.907(3) 0.614(2) 0.0645(15) 0.056(6) Uani 1 1 d . . . . .
C40 C 0.086(5) 0.680(4) 0.344(2) 0.090(11) Uani 1 1 d . . . . .
H40A H 0.0800 0.7305 0.2950 0.135 Uiso 1 1 calc GR . . . .
H40B H 0.0117 0.7138 0.3881 0.135 Uiso 1 1 calc GR . . . .
H40C H 0.0417 0.5905 0.3298 0.135 Uiso 1 1 calc GR . . . .
C11 C 0.879(5) 0.685(3) 0.1325(19) 0.069(9) Uani 1 1 d . . . . .
H11 H 0.8708 0.6478 0.1848 0.082 Uiso 1 1 calc R . . . .
C12 C 0.912(4) 0.671(3) -0.0087(14) 0.058(7) Uani 1 1 d . . . . .
H12 H 0.9231 0.6207 -0.0584 0.069 Uiso 1 1 calc R . . . .
C17 C 0.911(5) 0.991(3) -0.249(2) 0.070(9) Uani 1 1 d . U . . .
O5 O 0.894(3) 0.332(3) -0.0792(11) 0.078(8) Uani 1 1 d . . . . .
O10 O 1.062(2) 0.3442(16) 0.1810(9) 0.045(3) Uani 1 1 d . . . . .
C41 C 0.276(7) 0.603(4) 0.457(2) 0.105(15) Uani 1 1 d . . . . .
H41A H 0.1740 0.5379 0.4539 0.157 Uiso 1 1 calc GR . . . .
H41B H 0.2674 0.6596 0.5065 0.157 Uiso 1 1 calc GR . . . .
H41C H 0.3864 0.5618 0.4594 0.157 Uiso 1 1 calc GR . . . .
N8 N 1.101(3) 0.222(2) 0.3577(11) 0.057(5) Uani 1 1 d . . . . .
O11 O 0.991(3) 0.145(3) 0.3211(13) 0.076(6) Uani 1 1 d . . . . .
O9 O 1.130(3) 0.1494(18) 0.1232(12) 0.062(5) Uani 1 1 d . . . . .
C20 C 1.309(3) 0.253(2) 0.2370(13) 0.034(4) Uani 1 1 d . . . . .
C19 C 1.150(3) 0.248(2) 0.1794(13) 0.040(4) Uani 1 1 d . . . . .
C27 C 1.035(3) 0.393(2) -0.1231(17) 0.051(6) Uani 1 1 d . . . . .
C25 C 1.487(4) 0.265(2) 0.2101(16) 0.048(5) Uani 1 1 d . . . . .
C21 C 1.293(3) 0.249(2) 0.3252(14) 0.046(5) Uani 1 1 d . . . . .
O6 O 1.177(3) 0.440(2) -0.0932(14) 0.073(6) Uani 1 1 d . . . . .
C26 C 1.528(3) 0.273(3) 0.1152(16) 0.058(6) Uani 1 1 d . . . . .
O7 O 1.648(3) 0.203(4) 0.087(2) 0.117(12) Uani 1 1 d . . . . .
O12 O 1.066(5) 0.277(3) 0.4254(17) 0.107(10) Uani 1 1 d . . . . .
C24 C 1.635(4) 0.278(3) 0.2660(19) 0.060(6) Uani 1 1 d . . . . .
H24 H 1.7532 0.2862 0.2453 0.072 Uiso 1 1 calc R . . . .
C23 C 1.605(4) 0.278(3) 0.3511(19) 0.066(8) Uani 1 1 d . . . . .
H23 H 1.7024 0.2892 0.3889 0.079 Uiso 1 1 calc R . . . .
C18 C 0.878(4) 1.054(3) -0.1729(16) 0.061(7) Uani 1 1 d . . . . .
H18 H 0.8572 1.1412 -0.1717 0.073 Uiso 1 1 calc R . . . .
C22 C 1.431(5) 0.262(4) 0.381(2) 0.075(9) Uani 1 1 d . . . . .
H22 H 1.4094 0.2604 0.4385 0.090 Uiso 1 1 calc R . . . .
C47 C 0.781(6) 1.024(4) -0.485(3) 0.101(12) Uani 1 1 d . . . . .
H47A H 0.8434 1.1101 -0.4791 0.151 Uiso 1 1 calc GR . . . .
H47B H 0.6543 1.0288 -0.4944 0.151 Uiso 1 1 calc GR . . . .
H47C H 0.8306 0.9761 -0.5313 0.151 Uiso 1 1 calc GR . . . .
C10 C 0.860(6) 0.819(3) 0.1274(18) 0.074(10) Uani 1 1 d . . . . .
H10 H 0.8381 0.8681 0.1766 0.089 Uiso 1 1 calc R . . . .
O8 O 1.425(4) 0.345(2) 0.0733(13) 0.080(8) Uani 1 1 d . . . . .
C45 C 0.806(6) 0.951(5) -0.400(3) 0.095(6) Uani 1 1 d . U . . .
C44 C 0.970(6) 0.886(5) -0.407(3) 0.096(6) Uani 1 1 d D U . . .
H44 H 0.9978 0.8501 -0.4634 0.116 Uiso 1 1 calc R . . . .
C49 C 0.341(6) 0.897(4) 0.313(3) 0.034(6) Uani 0.5 1 d . U P C -1
H49A H 0.2145 0.9121 0.3173 0.040 Uiso 0.5 1 calc R . P C -1
H49B H 0.4141 0.9814 0.3166 0.040 Uiso 0.5 1 calc R . P C -1
C42 C 0.917(6) 1.054(3) -0.332(2) 0.074(7) Uani 1 1 d . U . . .
H42 H 0.8885 1.1445 -0.3315 0.089 Uiso 1 1 calc R . . . .
C43 C 1.096(6) 1.024(4) -0.374(2) 0.091(8) Uani 1 1 d . U . . .
H43A H 1.1941 1.0129 -0.3354 0.110 Uiso 1 1 calc R . . . .
H43B H 1.1363 1.0812 -0.4193 0.110 Uiso 1 1 calc R . . . .
C35 C 0.419(7) 0.909(4) 0.314(3) 0.044(7) Uani 0.5 1 d . U P C 1
H35A H 0.3351 0.9744 0.3223 0.053 Uiso 0.5 1 calc R . P C 1
H35B H 0.5416 0.9517 0.3134 0.053 Uiso 0.5 1 calc R . P C 1
C48 C 0.994(6) 0.798(4) -0.335(2) 0.086(7) Uani 1 1 d D U . . .
H48A H 0.9107 0.7186 -0.3426 0.103 Uiso 1 1 calc R . . . .
H48B H 1.1165 0.7726 -0.3352 0.103 Uiso 1 1 calc R . . . .
C46 C 0.624(5) 0.881(4) -0.378(3) 0.095(6) Uani 1 1 d . U . . .
H46A H 0.5489 0.9435 -0.3527 0.143 Uiso 1 1 calc GR . . . .
H46B H 0.6408 0.8161 -0.3382 0.143 Uiso 1 1 calc GR . . . .
H46C H 0.5655 0.8408 -0.4281 0.143 Uiso 1 1 calc GR . . . .
O1 O 0.585(4) 0.386(3) -0.4426(19) 0.092(5) 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
Ag3 Ag4 2.890(3) . ?
Ag3 N6 2.37(2) . ?
Ag3 O5 2.228(15) . ?
Ag3 O10 2.219(13) . ?
Ag4 N5 2.42(2) 1_545 ?
Ag4 N4 2.320(17) 1_545 ?
Ag4 O9 2.329(17) . ?
Ag4 O7 2.23(2) 1_455 ?
Ag1 Ag2 2.910(3) . ?
Ag1 O4 2.225(15) . ?
Ag1 N1 2.29(2) . ?
Ag1 N2 2.45(2) . ?
Ag1 O6 2.43(2) 1_455 ?
Ag2 O3 2.265(15) . ?
Ag2 N3 2.40(3) 1_545 ?
Ag2 O6 2.59(2) 1_455 ?
Ag2 O8 2.256(19) 1_455 ?
C6 C7 1.42(3) . ?
C6 C5 1.37(4) . ?
C15 C16 1.40(5) . ?
C15 C14 1.37(4) . ?
O4 C34 1.25(3) . ?
O3 C34 1.31(3) . ?
C31 C32 1.39(3) . ?
C31 C30 1.36(4) . ?
N1 C5 1.38(3) . ?
N1 C9 1.30(4) . ?
C7 C8 1.42(3) . ?
C7 C49 1.53(5) . ?
C7 C35 1.59(5) . ?
C16 C17 1.39(6) . ?
C16 C48 1.51(4) . ?
C8 C38 1.48(3) . ?
C8 C9 1.43(4) . ?
C5 C4 1.53(3) . ?
C34 C33 1.53(3) . ?
C38 C39 1.53(4) . ?
C38 C37 1.50(5) . ?
C39 C36 1.45(5) . ?
C39 C40 1.50(5) . ?
C39 C41 1.59(4) . ?
C32 C33 1.38(3) . ?
C32 N7 1.47(4) . ?
C36 C37 1.57(5) . ?
C36 C49 1.62(5) . ?
C36 C35 1.60(5) . ?
C14 N4 1.28(3) . ?
C14 C13 1.52(4) . ?
C30 C29 1.37(4) . ?
N2 C4 1.34(3) . ?
N2 C1 1.38(4) . ?
C33 C28 1.35(3) . ?
N5 Ag4 2.42(2) 1_565 ?
N5 C13 1.30(4) . ?
N5 C10 1.34(4) . ?
C28 C29 1.42(3) . ?
C28 C27 1.54(4) . ?
N7 O2 1.22(4) . ?
N7 O1 1.24(4) . ?
N4 Ag4 2.320(17) 1_565 ?
N4 C18 1.40(3) . ?
C13 C12 1.39(4) . ?
C4 C3 1.39(3) . ?
C3 N3 1.27(3) . ?
C1 C2 1.38(4) . ?
N3 Ag2 2.40(3) 1_565 ?
N3 C2 1.33(3) . ?
N6 C11 1.30(4) . ?
N6 C12 1.32(3) . ?
C11 C10 1.40(4) . ?
C17 C18 1.37(5) . ?
C17 C42 1.49(4) . ?
O5 C27 1.37(4) . ?
O10 C19 1.24(2) . ?
N8 O11 1.20(3) . ?
N8 C21 1.52(3) . ?
N8 O12 1.22(3) . ?
O9 C19 1.31(3) . ?
C20 C19 1.48(3) . ?
C20 C25 1.38(3) . ?
C20 C21 1.40(3) . ?
C27 O6 1.20(3) . ?
C25 C26 1.54(4) . ?
C25 C24 1.40(4) . ?
C21 C22 1.34(4) . ?
O6 Ag1 2.431(19) 1_655 ?
O6 Ag2 2.59(2) 1_655 ?
C26 O7 1.28(4) . ?
C26 O8 1.31(4) . ?
O7 Ag4 2.23(2) 1_655 ?
C24 C23 1.36(4) . ?
C23 C22 1.36(5) . ?
C47 C45 1.58(6) . ?
O8 Ag2 2.256(19) 1_655 ?
C45 C44 1.45(6) . ?
C45 C42 1.63(6) . ?
C45 C46 1.52(6) . ?
C44 C43 1.68(6) . ?
C44 C48 1.51(4) . ?
C49 C35 0.57(5) . ?
C42 C43 1.54(6) . ?

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
N6 Ag3 Ag4 161.4(6) . . ?
O5 Ag3 Ag4 69.0(8) . . ?
O5 Ag3 N6 102.8(9) . . ?
O10 Ag3 Ag4 84.3(4) . . ?
O10 Ag3 N6 107.0(7) . . ?
O10 Ag3 O5 149.4(8) . . ?
N5 Ag4 Ag3 161.7(6) 1_545 . ?
N4 Ag4 Ag3 126.9(5) 1_545 . ?
N4 Ag4 N5 69.0(7) 1_545 1_545 ?
N4 Ag4 O9 125.9(7) 1_545 . ?
O9 Ag4 Ag3 73.4(4) . . ?
O9 Ag4 N5 90.0(8) . 1_545 ?
O7 Ag4 Ag3 66.3(10) 1_455 . ?
O7 Ag4 N5 114.0(12) 1_455 1_545 ?
O7 Ag4 N4 125.0(9) 1_455 1_545 ?
O7 Ag4 O9 109.1(9) 1_455 . ?
O4 Ag1 Ag2 75.3(5) . . ?
O4 Ag1 N1 146.8(7) . . ?
O4 Ag1 N2 102.7(7) . . ?
O4 Ag1 O6 107.9(7) . 1_455 ?
N1 Ag1 Ag2 119.8(5) . . ?
N1 Ag1 N2 71.1(7) . . ?
N1 Ag1 O6 104.8(7) . 1_455 ?
N2 Ag1 Ag2 163.0(5) . . ?
O6 Ag1 Ag2 57.1(6) 1_455 . ?
O6 Ag1 N2 109.1(8) 1_455 . ?
O3 Ag2 Ag1 83.5(5) . . ?
O3 Ag2 N3 96.9(6) . 1_545 ?
O3 Ag2 O6 92.7(7) . 1_455 ?
N3 Ag2 Ag1 172.3(6) 1_545 . ?
N3 Ag2 O6 120.2(7) 1_545 1_455 ?
O6 Ag2 Ag1 52.1(5) 1_455 . ?
O8 Ag2 Ag1 73.8(7) 1_455 . ?
O8 Ag2 O3 148.4(7) 1_455 . ?
O8 Ag2 N3 108.6(8) 1_455 1_545 ?
O8 Ag2 O6 90.4(9) 1_455 1_455 ?
C5 C6 C7 116(2) . . ?
C14 C15 C16 122(3) . . ?
C34 O4 Ag1 127.9(13) . . ?
C34 O3 Ag2 111.5(12) . . ?
C30 C31 C32 114(2) . . ?
C5 N1 Ag1 120.5(16) . . ?
C9 N1 Ag1 123.8(17) . . ?
C9 N1 C5 115(2) . . ?
C6 C7 C49 122(2) . . ?
C6 C7 C35 121(3) . . ?
C8 C7 C6 121(2) . . ?
C8 C7 C49 118(2) . . ?
C8 C7 C35 116(3) . . ?
C49 C7 C35 21.1(19) . . ?
C15 C16 C48 125(4) . . ?
C17 C16 C15 117(4) . . ?
C17 C16 C48 118(4) . . ?
C7 C8 C38 117(2) . . ?
C7 C8 C9 115(2) . . ?
C9 C8 C38 128(2) . . ?
C6 C5 N1 127(2) . . ?
C6 C5 C4 117(2) . . ?
N1 C5 C4 115(2) . . ?
O4 C34 O3 126.8(18) . . ?
O4 C34 C33 118.8(18) . . ?
O3 C34 C33 114.2(17) . . ?
C8 C38 C39 110(2) . . ?
C8 C38 C37 109(3) . . ?
C37 C38 C39 86(2) . . ?
C38 C39 C41 108(3) . . ?
C36 C39 C38 89(2) . . ?
C36 C39 C40 124(3) . . ?
C36 C39 C41 111(3) . . ?
C40 C39 C38 117(3) . . ?
C40 C39 C41 106(3) . . ?
C31 C32 N7 118(3) . . ?
C33 C32 C31 124(2) . . ?
C33 C32 N7 118(2) . . ?
C39 C36 C37 86(3) . . ?
C39 C36 C49 104(3) . . ?
C39 C36 C35 120(3) . . ?
C37 C36 C49 114(3) . . ?
C37 C36 C35 99(3) . . ?
C35 C36 C49 20.5(18) . . ?
C38 C37 C36 86(2) . . ?
C15 C14 C13 122(2) . . ?
N4 C14 C15 121(2) . . ?
N4 C14 C13 116(2) . . ?
C31 C30 C29 124(2) . . ?
C4 N2 Ag1 114.2(17) . . ?
C4 N2 C1 119(2) . . ?
C1 N2 Ag1 126.5(18) . . ?
C32 C33 C34 122(2) . . ?
C28 C33 C34 117.9(19) . . ?
C28 C33 C32 120(2) . . ?
C13 N5 Ag4 115.2(18) . 1_565 ?
C13 N5 C10 117(2) . . ?
C10 N5 Ag4 127.5(19) . 1_565 ?
C33 C28 C29 119(2) . . ?
C33 C28 C27 126(2) . . ?
C29 C28 C27 115(2) . . ?
O2 N7 C32 119(3) . . ?
O2 N7 O1 120(3) . . ?
O1 N7 C32 120(3) . . ?
C14 N4 Ag4 119.8(16) . 1_565 ?
C14 N4 C18 119(2) . . ?
C18 N4 Ag4 119.4(16) . 1_565 ?
N5 C13 C14 117(2) . . ?
N5 C13 C12 121(2) . . ?
C12 C13 C14 121(2) . . ?
N2 C4 C5 119(2) . . ?
N2 C4 C3 119(2) . . ?
C3 C4 C5 121.9(19) . . ?
N3 C3 C4 121(2) . . ?
N2 C1 C2 119(2) . . ?
C3 N3 Ag2 111.0(17) . 1_565 ?
C3 N3 C2 122(2) . . ?
C2 N3 Ag2 122.3(17) . 1_565 ?
C30 C29 C28 119(2) . . ?
N3 C2 C1 120(2) . . ?
N1 C9 C8 127(2) . . ?
C11 N6 Ag3 127.0(18) . . ?
C11 N6 C12 117(2) . . ?
C12 N6 Ag3 115.5(17) . . ?
N6 C11 C10 120(2) . . ?
N6 C12 C13 122(2) . . ?
C16 C17 C42 116(4) . . ?
C18 C17 C16 119(3) . . ?
C18 C17 C42 124(3) . . ?
C27 O5 Ag3 105.4(15) . . ?
C19 O10 Ag3 114.9(13) . . ?
O11 N8 C21 122(2) . . ?
O11 N8 O12 121(3) . . ?
O12 N8 C21 117(3) . . ?
C19 O9 Ag4 123.5(14) . . ?
C25 C20 C19 123.9(19) . . ?
C25 C20 C21 113(2) . . ?
C21 C20 C19 123.2(18) . . ?
O10 C19 O9 125(2) . . ?
O10 C19 C20 117.7(18) . . ?
O9 C19 C20 116.2(17) . . ?
O5 C27 C28 114.2(19) . . ?
O6 C27 C28 120(3) . . ?
O6 C27 O5 126(3) . . ?
C20 C25 C26 120(2) . . ?
C20 C25 C24 123(2) . . ?
C24 C25 C26 117(2) . . ?
C20 C21 N8 115.1(19) . . ?
C22 C21 N8 119(2) . . ?
C22 C21 C20 126(3) . . ?
Ag1 O6 Ag2 70.8(5) 1_655 1_655 ?
C27 O6 Ag1 167(2) . 1_655 ?
C27 O6 Ag2 119.3(18) . 1_655 ?
O7 C26 C25 115(3) . . ?
O7 C26 O8 129(3) . . ?
O8 C26 C25 116(2) . . ?
C26 O7 Ag4 171(3) . 1_655 ?
C23 C24 C25 119(3) . . ?
C24 C23 C22 120(3) . . ?
C17 C18 N4 121(3) . . ?
C21 C22 C23 119(3) . . ?
N5 C10 C11 122(3) . . ?
C26 O8 Ag2 110.5(17) . 1_655 ?
C47 C45 C42 108(3) . . ?
C44 C45 C47 109(4) . . ?
C44 C45 C42 87(3) . . ?
C44 C45 C46 123(4) . . ?
C46 C45 C47 108(4) . . ?
C46 C45 C42 120(4) . . ?
C45 C44 C43 91(4) . . ?
C45 C44 C48 113(4) . . ?
C48 C44 C43 102(3) . . ?
C7 C49 C36 108(3) . . ?
C35 C49 C7 85(7) . . ?
C35 C49 C36 78(7) . . ?
C17 C42 C45 107(3) . . ?
C17 C42 C43 107(3) . . ?
C43 C42 C45 89(3) . . ?
C42 C43 C44 82(3) . . ?
C7 C35 C36 106(3) . . ?
C49 C35 C7 74(7) . . ?
C49 C35 C36 82(7) . . ?
C16 C48 C44 112(4) . . ?

_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 1.546
_oxdiff_exptl_absorpt_empirical_full_min 0.738
# start Validation Reply Form
_vrf_PLAT342_11                  
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.04348 Ang.
RESPONSE: Twinning, 180 deg. around [1 -1 0], leads to nearly perfect
overlap of reflections which results in lower precision in the unit cell as the
lattices cannot be integrated and refined independantly, this leads to lower
precision in the bonds
;
_vrf_PLAT930_11                  
;
PROBLEM: FCF-based Twin Law [ 1 0 0] Est.d BASF 0.37 Check
RESPONSE: All attempts at deconvoluting or otherwise accounting for the twinning 
present resulted in the population fraction of the minor twin component refining 
to 0, so this twinning was not treated.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_r3
_database_code_depnum_ccdc_archive 'CCDC 2095022'
_audit_update_record             
;
2021-10-21 deposited with the CCDC.	2021-11-24 downloaded from the CCDC.
;
_audit_creation_date             2021-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.18 svn.r3501 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H40 Ag4 N8 O12'
_chemical_formula_sum            'C48 H39 Ag4 N8 O12'
_chemical_formula_weight         1351.35
_chemical_absolute_configuration unk
_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'
O O 0.0492 0.0322 '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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   7.4073(4)
_cell_length_b                   10.3055(5)
_cell_length_c                   15.7862(8)
_cell_angle_alpha                92.756(4)
_cell_angle_beta                 90.02
_cell_angle_gamma                95.853(4)
_cell_volume                     1197.37(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4237
_cell_measurement_temperature    294.40(10)
_cell_measurement_theta_max      61.2790
_cell_measurement_theta_min      5.0120
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.544
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.12571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish gray'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    gray
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             667
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6115
_diffrn_reflns_point_group_measured_fraction_full 0.551
_diffrn_reflns_point_group_measured_fraction_max 0.551
_diffrn_reflns_theta_full        61.430
_diffrn_reflns_theta_max         61.430
_diffrn_reflns_theta_min         4.318
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.40(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3031
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -70.00 -20.00   1.00    2.00    --    0.00 -38.00-120.00   50
  2  ω    -14.00  25.00   1.00    2.00    --    0.00 -38.00-120.00   39
  3  ω    -56.00   3.00   1.00    2.00    --    0.00 -57.00 150.00   59
  4  ω    -20.00  28.00   1.00    2.00    --    0.00 -82.00  -2.00   48
  5  ω    119.00 145.00   1.00    5.00    --   82.17 125.00 -60.00   26
  6  ω     95.00 144.00   1.00    5.00    --   82.17 125.00  90.00   49
  7  ω     19.00 104.00   1.00    5.00    --   82.17 -95.00 -90.00   85
  8  ω     60.00 142.00   1.00    5.00    --   82.17  30.00  90.00   82
  9  ω      9.00 112.00   1.00    5.00    --   82.17 -77.00 120.00  103
 10  ω      6.00  55.00   1.00    5.00    --   82.17 -30.00-180.00   49
 11  ω     73.00 110.00   1.00    5.00    --   82.17 -30.00-180.00   37
 12  ω     38.00 117.00   1.00    5.00    --   82.17-125.00 120.00   79
 13  ω     31.00  83.00   1.00    5.00    --   82.17-125.00  60.00   52
 14  ω     66.00 155.00   1.00    5.00    --   82.17  30.00-180.00   89
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1718554000
_diffrn_orient_matrix_UB_12      -0.0665725000
_diffrn_orient_matrix_UB_13      -0.0451520000
_diffrn_orient_matrix_UB_21      0.1179268000
_diffrn_orient_matrix_UB_22      -0.0524721000
_diffrn_orient_matrix_UB_23      -0.0716552000
_diffrn_orient_matrix_UB_31      0.0164233000
_diffrn_orient_matrix_UB_32      -0.1242967000
_diffrn_orient_matrix_UB_33      0.0487118000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.127
_reflns_Friedel_fraction_full    0.124
_reflns_Friedel_fraction_max     0.124
_reflns_number_gt                3943
_reflns_number_total             4084
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     58.86
_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       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.130
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.017(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     653
_refine_ls_number_reflns         4084
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0440
_refine_ls_restrained_S_all      0.949
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1175
_refine_ls_wR_factor_ref         0.1206
_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
 O6
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.001
3. Uiso/Uaniso restraints and constraints
O6: within 1.7A with sigma of 0.001 and sigma for terminal atoms of 0.002
C35: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O6) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Ternary CH refined with riding coordinates:
 C38(H38), C36(H36), C42(H42), C44(H44)
4.b Secondary CH2 refined with riding coordinates:
 C43(H43A,H43B), C35(H35A,H35B), C37(H37A,H37B), C01O(H01A,H01B)
4.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C18(H18), C22(H22), C0AA(H0AA), C10(H10), C2(H2), C1(H1), C11(H11),
 C29(H29), C12(H12), C9(H9), C23(H23), C30(H30), C31(H31), C15(H15), C24(H24)
4.d Idealised Me refined as rotating group:
 C40(H40A,H40B,H40C), C47(H47A,H47B,H47C), C41(H41A,H41B,H41C), C46(H46A,H46B,
 H46C)
;
_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
Ag4 Ag 0.60548(12) 0.01168(8) 0.54393(6) 0.0524(3) Uani 1 1 d . . . . .
Ag2 Ag 1.10829(12) 0.19610(8) 0.43416(5) 0.0544(3) Uani 1 1 d . . . . .
Ag3 Ag 0.63113(13) 0.29579(7) 0.55757(5) 0.0571(3) Uani 1 1 d . . . . .
Ag1 Ag 0.17766(12) 0.47641(8) 0.46024(6) 0.0553(3) Uani 1 1 d . . . . .
O5 O 0.6296(16) 0.2479(10) 0.4190(6) 0.069(3) Uani 1 1 d . . . . .
C4 C 0.1603(16) 0.7805(11) 0.5063(7) 0.037(3) Uani 1 1 d . . . . .
N4 N 0.6694(13) 0.9069(9) 0.4182(6) 0.038(2) Uani 1 1 d . . . . .
N5 N 0.6410(16) 0.7867(10) 0.5685(6) 0.047(3) Uani 1 1 d . . . . .
N3 N 0.1597(15) 0.9730(10) 0.4268(6) 0.046(2) Uani 1 1 d . . . . .
C6 C 0.115(2) 0.7877(14) 0.6626(9) 0.061(4) Uani 1 1 d . . . . .
H6 H 0.0900 0.8743 0.6606 0.073 Uiso 1 1 calc R . . . .
O4 O 0.9299(11) 0.4370(8) 0.3666(5) 0.0489(19) Uani 1 1 d . . . . .
C18 C 0.6653(18) 0.9607(12) 0.3425(7) 0.044(3) Uani 1 1 d . . . . .
H18 H 0.6637 1.0509 0.3428 0.053 Uiso 1 1 calc R . . . .
C22 C 0.1033(16) 0.1775(14) 0.8853(8) 0.051(3) Uani 1 1 d . . . . .
H22 H 0.1192 0.1790 0.9438 0.061 Uiso 1 1 calc R . . . .
O10 O 0.5069(10) 0.2588(8) 0.6860(4) 0.0405(16) Uani 1 1 d . . . . .
C0AA C 0.1459(19) 0.9153(12) 0.5024(8) 0.051(3) Uani 1 1 d . . . . .
H0AA H 0.1269 0.9649 0.5517 0.061 Uiso 1 1 calc R . . . .
O6 O 0.4159(18) 0.3812(13) 0.4038(9) 0.094(4) Uani 1 1 d . U . . .
O7 O -0.1142(12) 0.1413(11) 0.5841(6) 0.068(3) Uani 1 1 d . . . . .
C28 C 0.5722(15) 0.3222(13) 0.2825(7) 0.043(3) Uani 1 1 d . . . . .
C26 C 0.0295(15) 0.1923(11) 0.6157(7) 0.042(3) Uani 1 1 d . . . . .
N6 N 0.6990(14) 0.5270(10) 0.5784(6) 0.043(2) Uani 1 1 d . . . . .
C25 C 0.0597(14) 0.1824(10) 0.7096(7) 0.035(2) Uani 1 1 d . . . . .
O3 O 0.9943(9) 0.2419(7) 0.3092(4) 0.0397(16) Uani 1 1 d . . . . .
C10 C 0.628(2) 0.7256(14) 0.6392(8) 0.060(4) Uani 1 1 d . . . . .
H10 H 0.6012 0.7730 0.6883 0.072 Uiso 1 1 calc R . . . .
O2 O 1.0648(12) 0.4445(10) 0.1709(6) 0.060(2) Uani 1 1 d . . . . .
C8 C 0.147(2) 0.5978(13) 0.7411(8) 0.053(3) Uani 1 1 d . . . . .
C1AA C 0.1530(15) 0.7195(11) 0.5908(7) 0.038(2) Uani 1 1 d . . . . .
C17 C 0.6632(17) 0.8948(12) 0.2642(8) 0.044(3) Uani 1 1 d . . . . .
C14 C 0.6792(15) 0.7768(11) 0.4155(7) 0.037(2) Uani 1 1 d . . . . .
C16 C 0.6857(19) 0.7642(13) 0.2631(8) 0.049(3) Uani 1 1 d . . . . .
C38 C 0.145(2) 0.5374(15) 0.8247(9) 0.067(4) Uani 1 1 d . . . . .
H38 H 0.1687 0.4455 0.8233 0.080 Uiso 1 1 calc R . . . .
C21 C 0.2476(14) 0.1655(11) 0.8306(7) 0.040(2) Uani 1 1 d . . . . .
C2 C 0.186(2) 0.8980(13) 0.3587(8) 0.055(3) Uani 1 1 d . . . . .
H2 H 0.1936 0.9349 0.3060 0.066 Uiso 1 1 calc R . . . .
C7 C 0.112(2) 0.7274(14) 0.7399(9) 0.061(4) Uani 1 1 d . . . . .
C39 C 0.253(2) 0.6283(15) 0.8936(8) 0.067(4) Uani 1 1 d . . . . .
C34 C 0.9072(13) 0.3400(9) 0.3150(6) 0.030(2) Uani 1 1 d . . . . .
C43 C 0.503(2) 0.8604(19) 0.1302(8) 0.071(4) Uani 1 1 d . . . . .
H43A H 0.4480 0.8971 0.0822 0.085 Uiso 1 1 calc R . . . .
H43B H 0.4111 0.8171 0.1660 0.085 Uiso 1 1 calc R . . . .
C35 C 0.073(4) 0.7944(18) 0.8238(10) 0.096(7) Uani 1 1 d . U . . .
H35A H -0.0432 0.8294 0.8211 0.116 Uiso 1 1 calc R . . . .
H35B H 0.1658 0.8665 0.8359 0.116 Uiso 1 1 calc R . . . .
C19 C 0.3960(13) 0.1615(10) 0.6836(6) 0.033(2) Uani 1 1 d . . . . .
C32 C 0.7712(15) 0.3397(11) 0.1668(7) 0.040(2) Uani 1 1 d . . . . .
C36 C 0.071(4) 0.696(2) 0.8957(11) 0.100(7) Uani 1 1 d . . . . .
H36 H 0.0375 0.7311 0.9517 0.121 Uiso 1 1 calc R . . . .
N8 N 0.4229(17) 0.1420(13) 0.8669(6) 0.064(3) Uani 1 1 d . . . . .
C45 C 0.786(2) 0.9067(15) 0.1168(8) 0.060(4) Uani 1 1 d . . . . .
O9 O 0.3929(10) 0.0605(7) 0.6377(5) 0.0457(18) Uani 1 1 d . . . . .
O11 O 0.5135(14) 0.0663(11) 0.8315(6) 0.070(3) Uani 1 1 d . . . . .
C20 C 0.2319(14) 0.1685(10) 0.7430(6) 0.030(2) Uani 1 1 d . . . . .
C1 C 0.201(2) 0.7685(17) 0.3634(9) 0.071(4) Uani 1 1 d . . . . .
H1 H 0.2220 0.7193 0.3141 0.086 Uiso 1 1 calc R . . . .
C11 C 0.652(2) 0.5927(15) 0.6460(8) 0.058(4) Uani 1 1 d . . . . .
H11 H 0.6353 0.5529 0.6975 0.070 Uiso 1 1 calc R . . . .
C40 C 0.430(3) 0.707(3) 0.8665(12) 0.116(8) Uani 1 1 d . . . . .
H40A H 0.5223 0.6493 0.8575 0.173 Uiso 1 1 calc GR . . . .
H40B H 0.4680 0.7720 0.9103 0.173 Uiso 1 1 calc GR . . . .
H40C H 0.4088 0.7491 0.8149 0.173 Uiso 1 1 calc GR . . . .
N2 N 0.1873(18) 0.7095(12) 0.4380(7) 0.057(3) Uani 1 1 d . . . . .
C47 C 0.790(3) 0.9836(17) 0.0341(9) 0.082(5) Uani 1 1 d . . . . .
H47A H 0.6702 1.0041 0.0210 0.123 Uiso 1 1 calc GR . . . .
H47B H 0.8343 0.9312 -0.0118 0.123 Uiso 1 1 calc GR . . . .
H47C H 0.8695 1.0631 0.0422 0.123 Uiso 1 1 calc GR . . . .
C29 C 0.4240(18) 0.3094(15) 0.2242(9) 0.062(3) Uani 1 1 d . . . . .
H29 H 0.3054 0.3011 0.2440 0.075 Uiso 1 1 calc R . . . .
N1 N 0.1828(14) 0.5950(9) 0.5890(6) 0.040(2) Uani 1 1 d . . . . .
C37 C -0.027(3) 0.569(2) 0.8689(12) 0.095(6) Uani 1 1 d . . . . .
H37A H -0.1282 0.5745 0.8309 0.114 Uiso 1 1 calc R . . . .
H37B H -0.0614 0.5132 0.9154 0.114 Uiso 1 1 calc R . . . .
C42 C 0.643(2) 0.9542(14) 0.1781(8) 0.054(3) Uani 1 1 d . . . . .
H42 H 0.6254 1.0472 0.1787 0.065 Uiso 1 1 calc R . . . .
C41 C 0.285(3) 0.5609(19) 0.9732(10) 0.092(6) Uani 1 1 d . . . . .
H41A H 0.1771 0.5071 0.9876 0.138 Uiso 1 1 calc GR . . . .
H41B H 0.3159 0.6249 1.0184 0.138 Uiso 1 1 calc GR . . . .
H41C H 0.3830 0.5075 0.9646 0.138 Uiso 1 1 calc GR . . . .
C12 C 0.7131(16) 0.5880(11) 0.5052(7) 0.041(3) Uani 1 1 d . . . . .
H12 H 0.7501 0.5426 0.4571 0.049 Uiso 1 1 calc R . . . .
O1 O 0.9940(16) 0.3140(13) 0.0657(7) 0.094(4) Uani 1 1 d . . . . .
N7 N 0.9595(14) 0.3666(11) 0.1319(6) 0.048(2) Uani 1 1 d . . . . .
C01O C 0.693(3) 0.6894(15) 0.1779(8) 0.075(5) Uani 1 1 d . . . . .
H01A H 0.8113 0.6571 0.1710 0.090 Uiso 1 1 calc R . . . .
H01B H 0.6017 0.6150 0.1757 0.090 Uiso 1 1 calc R . . . .
C46 C 0.976(2) 0.904(3) 0.1473(10) 0.103(7) Uani 1 1 d . . . . .
H46A H 1.0494 0.8738 0.1017 0.154 Uiso 1 1 calc GR . . . .
H46B H 0.9776 0.8461 0.1931 0.154 Uiso 1 1 calc GR . . . .
H46C H 1.0245 0.9903 0.1667 0.154 Uiso 1 1 calc GR . . . .
C9 C 0.1854(17) 0.5357(11) 0.6624(8) 0.047(3) Uani 1 1 d . . . . .
H9 H 0.2136 0.4497 0.6616 0.056 Uiso 1 1 calc R . . . .
O12 O 0.469(2) 0.200(2) 0.9336(8) 0.155(9) Uani 1 1 d . . . . .
C23 C -0.0621(17) 0.1870(13) 0.8505(8) 0.052(3) Uani 1 1 d . . . . .
H23 H -0.1619 0.1903 0.8860 0.062 Uiso 1 1 calc R . . . .
C33 C 0.7513(14) 0.3374(10) 0.2519(7) 0.033(2) Uani 1 1 d . . . . .
C30 C 0.4569(18) 0.3095(15) 0.1389(8) 0.062(4) Uani 1 1 d . . . . .
H30 H 0.3601 0.2992 0.1009 0.074 Uiso 1 1 calc R . . . .
C31 C 0.6337(19) 0.3249(15) 0.1086(8) 0.058(4) Uani 1 1 d . . . . .
H31 H 0.6573 0.3250 0.0507 0.070 Uiso 1 1 calc R . . . .
C44 C 0.661(2) 0.7784(16) 0.1068(8) 0.060(3) Uani 1 1 d . . . . .
H44 H 0.6549 0.7366 0.0497 0.072 Uiso 1 1 calc R . . . .
C15 C 0.695(2) 0.7052(13) 0.3403(8) 0.050(3) Uani 1 1 d . . . . .
H15 H 0.7123 0.6171 0.3411 0.060 Uiso 1 1 calc R . . . .
C13 C 0.6754(15) 0.7137(11) 0.4985(6) 0.034(2) Uani 1 1 d . . . . .
O8 O 0.1600(12) 0.2484(10) 0.5745(5) 0.052(2) Uani 1 1 d . . . . .
C24 C -0.0868(15) 0.1919(13) 0.7641(8) 0.050(3) Uani 1 1 d . . . . .
H24 H -0.2010 0.2017 0.7423 0.060 Uiso 1 1 calc R . . . .
C27 C 0.5340(14) 0.3159(12) 0.3761(7) 0.046(3) Uani 1 1 d . . . . .


_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
Ag4 Ag3 2.9121(12) . ?
Ag4 N4 2.286(9) 1_545 ?
Ag4 N5 2.409(10) 1_545 ?
Ag4 O7 2.419(9) 1_655 ?
Ag4 O9 2.240(7) . ?
Ag2 Ag1 2.8916(13) 1_655 ?
Ag2 N3 2.366(10) 1_645 ?
Ag2 O6 2.874(13) 1_655 ?
Ag2 O3 2.235(6) . ?
Ag2 O8 2.278(8) 1_655 ?
Ag3 O5 2.219(9) . ?
Ag3 O10 2.260(7) . ?
Ag3 N6 2.391(11) . ?
Ag1 Ag2 2.8916(13) 1_455 ?
Ag1 O4 2.346(7) 1_455 ?
Ag1 O6 2.267(14) . ?
Ag1 N2 2.439(12) . ?
Ag1 N1 2.319(9) . ?
O5 C27 1.265(16) . ?
C4 C0AA 1.409(17) . ?
C4 C1AA 1.501(15) . ?
C4 N2 1.301(16) . ?
N4 Ag4 2.286(9) 1_565 ?
N4 C18 1.344(14) . ?
N4 C14 1.349(15) . ?
N5 Ag4 2.409(10) 1_565 ?
N5 C10 1.306(16) . ?
N5 C13 1.346(14) . ?
N3 Ag2 2.366(10) 1_465 ?
N3 C0AA 1.358(15) . ?
N3 C2 1.320(17) . ?
C6 H6 0.9300 . ?
C6 C1AA 1.351(19) . ?
C6 C7 1.395(19) . ?
O4 Ag1 2.346(7) 1_655 ?
O4 C34 1.256(12) . ?
C18 H18 0.9300 . ?
C18 C17 1.380(17) . ?
C22 H22 0.9300 . ?
C22 C21 1.386(15) . ?
C22 C23 1.357(18) . ?
O10 C19 1.229(13) . ?
C0AA H0AA 0.9300 . ?
O6 Ag2 2.874(13) 1_455 ?
O6 C27 1.225(16) . ?
O7 Ag4 2.419(9) 1_455 ?
O7 C26 1.232(14) . ?
C28 C29 1.423(17) . ?
C28 C33 1.408(15) . ?
C28 C27 1.508(16) . ?
C26 C25 1.509(15) . ?
C26 O8 1.271(15) . ?
N6 C11 1.303(17) . ?
N6 C12 1.340(14) . ?
C25 C20 1.403(15) . ?
C25 C24 1.393(16) . ?
O3 C34 1.254(11) . ?
C10 H10 0.9300 . ?
C10 C11 1.41(2) . ?
O2 N7 1.207(13) . ?
C8 C38 1.485(19) . ?
C8 C7 1.39(2) . ?
C8 C9 1.412(19) . ?
C1AA N1 1.322(14) . ?
C17 C16 1.373(18) . ?
C17 C42 1.531(16) . ?
C14 C15 1.379(17) . ?
C14 C13 1.489(14) . ?
C16 C01O 1.523(18) . ?
C16 C15 1.392(17) . ?
C38 H38 0.9800 . ?
C38 C39 1.56(2) . ?
C38 C37 1.51(3) . ?
C21 N8 1.466(16) . ?
C21 C20 1.390(15) . ?
C2 H2 0.9300 . ?
C2 C1 1.36(2) . ?
C7 C35 1.51(2) . ?
C39 C36 1.58(3) . ?
C39 C40 1.54(2) . ?
C39 C41 1.495(19) . ?
C34 C33 1.523(13) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 C42 1.52(2) . ?
C43 C44 1.55(2) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.56(2) . ?
C19 O9 1.237(13) . ?
C19 C20 1.541(13) . ?
C32 N7 1.504(14) . ?
C32 C33 1.352(15) . ?
C32 C31 1.364(17) . ?
C36 H36 0.9800 . ?
C36 C37 1.48(3) . ?
N8 O11 1.199(15) . ?
N8 O12 1.217(17) . ?
C45 C47 1.558(18) . ?
C45 C42 1.54(2) . ?
C45 C46 1.49(2) . ?
C45 C44 1.54(2) . ?
C1 H1 0.9300 . ?
C1 N2 1.350(18) . ?
C11 H11 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C29 H29 0.9300 . ?
C29 C30 1.367(19) . ?
N1 C9 1.337(15) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C42 H42 0.9800 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C13 1.362(16) . ?
O1 N7 1.195(14) . ?
C01O H01A 0.9700 . ?
C01O H01B 0.9700 . ?
C01O C44 1.52(2) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C9 H9 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.380(18) . ?
C30 H30 0.9300 . ?
C30 C31 1.39(2) . ?
C31 H31 0.9300 . ?
C44 H44 0.9800 . ?
C15 H15 0.9300 . ?
O8 Ag2 2.278(8) 1_455 ?
C24 H24 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
N4 Ag4 Ag3 120.0(2) 1_545 . ?
N4 Ag4 N5 71.0(3) 1_545 1_545 ?
N4 Ag4 O7 104.6(3) 1_545 1_655 ?
N5 Ag4 Ag3 163.2(3) 1_545 . ?
N5 Ag4 O7 108.0(4) 1_545 1_655 ?
O7 Ag4 Ag3 58.4(3) 1_655 . ?
O9 Ag4 Ag3 74.5(2) . . ?
O9 Ag4 N4 147.1(3) . 1_545 ?
O9 Ag4 N5 103.2(3) . 1_545 ?
O9 Ag4 O7 107.9(3) . 1_655 ?
N3 Ag2 Ag1 159.9(3) 1_645 1_655 ?
N3 Ag2 O6 116.6(4) 1_645 1_655 ?
O6 Ag2 Ag1 46.3(3) 1_655 1_655 ?
O3 Ag2 Ag1 84.6(2) . 1_655 ?
O3 Ag2 N3 107.7(3) . 1_645 ?
O3 Ag2 O6 88.5(3) . 1_655 ?
O3 Ag2 O8 150.0(3) . 1_655 ?
O8 Ag2 Ag1 70.4(3) 1_655 1_655 ?
O8 Ag2 N3 101.1(3) 1_655 1_645 ?
O8 Ag2 O6 86.1(4) 1_655 1_655 ?
O5 Ag3 Ag4 75.7(3) . . ?
O5 Ag3 O10 148.5(4) . . ?
O5 Ag3 N6 107.7(3) . . ?
O10 Ag3 Ag4 82.6(2) . . ?
O10 Ag3 N6 97.3(3) . . ?
N6 Ag3 Ag4 170.9(3) . . ?
O4 Ag1 Ag2 73.3(2) 1_455 1_455 ?
O4 Ag1 N2 89.7(3) 1_455 . ?
O6 Ag1 Ag2 66.4(3) . 1_455 ?
O6 Ag1 O4 108.9(4) . 1_455 ?
O6 Ag1 N2 114.1(4) . . ?
O6 Ag1 N1 124.9(4) . . ?
N2 Ag1 Ag2 161.5(3) . 1_455 ?
N1 Ag1 Ag2 126.7(2) . 1_455 ?
N1 Ag1 O4 126.2(3) . 1_455 ?
N1 Ag1 N2 69.4(3) . . ?
C27 O5 Ag3 114.6(7) . . ?
C0AA C4 C1AA 119.5(10) . . ?
N2 C4 C0AA 120.7(10) . . ?
N2 C4 C1AA 119.7(10) . . ?
C18 N4 Ag4 124.1(7) . 1_565 ?
C18 N4 C14 115.4(9) . . ?
C14 N4 Ag4 119.3(7) . 1_565 ?
C10 N5 Ag4 129.5(8) . 1_565 ?
C10 N5 C13 115.9(11) . . ?
C13 N5 Ag4 114.6(7) . 1_565 ?
C0AA N3 Ag2 114.2(8) . 1_465 ?
C2 N3 Ag2 128.1(8) . 1_465 ?
C2 N3 C0AA 117.4(10) . . ?
C1AA C6 H6 120.3 . . ?
C1AA C6 C7 119.4(12) . . ?
C7 C6 H6 120.3 . . ?
C34 O4 Ag1 123.7(6) . 1_655 ?
N4 C18 H18 116.9 . . ?
N4 C18 C17 126.1(11) . . ?
C17 C18 H18 116.9 . . ?
C21 C22 H22 121.2 . . ?
C23 C22 H22 121.2 . . ?
C23 C22 C21 117.7(10) . . ?
C19 O10 Ag3 111.8(6) . . ?
C4 C0AA H0AA 119.9 . . ?
N3 C0AA C4 120.2(11) . . ?
N3 C0AA H0AA 119.9 . . ?
Ag1 O6 Ag2 67.2(3) . 1_455 ?
C27 O6 Ag2 105.3(9) . 1_455 ?
C27 O6 Ag1 172.4(11) . . ?
C26 O7 Ag4 168.8(9) . 1_455 ?
C29 C28 C27 119.1(11) . . ?
C33 C28 C29 119.7(11) . . ?
C33 C28 C27 121.2(10) . . ?
O7 C26 C25 118.5(11) . . ?
O7 C26 O8 124.9(11) . . ?
O8 C26 C25 116.5(10) . . ?
C11 N6 Ag3 123.2(8) . . ?
C11 N6 C12 118.1(11) . . ?
C12 N6 Ag3 112.7(7) . . ?
C20 C25 C26 121.6(9) . . ?
C24 C25 C26 118.6(9) . . ?
C24 C25 C20 119.8(10) . . ?
C34 O3 Ag2 112.0(6) . . ?
N5 C10 H10 117.8 . . ?
N5 C10 C11 124.5(11) . . ?
C11 C10 H10 117.8 . . ?
C7 C8 C38 117.5(13) . . ?
C7 C8 C9 116.7(11) . . ?
C9 C8 C38 125.7(13) . . ?
C6 C1AA C4 121.5(11) . . ?
N1 C1AA C4 115.2(9) . . ?
N1 C1AA C6 123.3(11) . . ?
C18 C17 C42 126.2(11) . . ?
C16 C17 C18 117.1(11) . . ?
C16 C17 C42 116.7(11) . . ?
N4 C14 C15 122.3(10) . . ?
N4 C14 C13 116.5(9) . . ?
C15 C14 C13 121.2(10) . . ?
C17 C16 C01O 118.7(11) . . ?
C17 C16 C15 118.4(12) . . ?
C15 C16 C01O 122.9(12) . . ?
C8 C38 H38 115.6 . . ?
C8 C38 C39 111.9(12) . . ?
C8 C38 C37 107.1(14) . . ?
C39 C38 H38 115.6 . . ?
C37 C38 H38 115.6 . . ?
C37 C38 C39 87.7(14) . . ?
C22 C21 N8 118.2(10) . . ?
C22 C21 C20 123.2(10) . . ?
C20 C21 N8 118.6(9) . . ?
N3 C2 H2 119.1 . . ?
N3 C2 C1 121.8(11) . . ?
C1 C2 H2 119.1 . . ?
C6 C7 C35 124.0(13) . . ?
C8 C7 C6 119.1(13) . . ?
C8 C7 C35 116.9(12) . . ?
C38 C39 C36 81.9(14) . . ?
C40 C39 C38 117.9(13) . . ?
C40 C39 C36 119.0(16) . . ?
C41 C39 C38 113.1(13) . . ?
C41 C39 C36 112.9(14) . . ?
C41 C39 C40 109.7(16) . . ?
O4 C34 C33 116.9(8) . . ?
O3 C34 O4 128.6(9) . . ?
O3 C34 C33 114.5(8) . . ?
H43A C43 H43B 111.4 . . ?
C42 C43 H43A 114.2 . . ?
C42 C43 H43B 114.2 . . ?
C42 C43 C44 86.5(11) . . ?
C44 C43 H43A 114.2 . . ?
C44 C43 H43B 114.2 . . ?
C7 C35 H35A 109.6 . . ?
C7 C35 H35B 109.6 . . ?
C7 C35 C36 110.2(14) . . ?
H35A C35 H35B 108.1 . . ?
C36 C35 H35A 109.6 . . ?
C36 C35 H35B 109.6 . . ?
O10 C19 O9 129.4(9) . . ?
O10 C19 C20 115.6(9) . . ?
O9 C19 C20 115.0(9) . . ?
C33 C32 N7 118.3(9) . . ?
C33 C32 C31 125.7(11) . . ?
C31 C32 N7 115.9(10) . . ?
C39 C36 H36 114.9 . . ?
C35 C36 C39 109.5(16) . . ?
C35 C36 H36 114.9 . . ?
C37 C36 C39 88.2(15) . . ?
C37 C36 C35 111.4(18) . . ?
C37 C36 H36 114.9 . . ?
O11 N8 C21 119.8(11) . . ?
O11 N8 O12 122.7(13) . . ?
O12 N8 C21 117.5(13) . . ?
C42 C45 C47 110.4(13) . . ?
C42 C45 C44 86.4(11) . . ?
C46 C45 C47 108.5(14) . . ?
C46 C45 C42 119.4(12) . . ?
C46 C45 C44 119.4(15) . . ?
C44 C45 C47 111.4(12) . . ?
C19 O9 Ag4 126.1(7) . . ?
C25 C20 C19 120.3(8) . . ?
C21 C20 C25 117.4(9) . . ?
C21 C20 C19 122.3(9) . . ?
C2 C1 H1 119.2 . . ?
N2 C1 C2 121.6(14) . . ?
N2 C1 H1 119.2 . . ?
N6 C11 C10 118.2(11) . . ?
N6 C11 H11 120.9 . . ?
C10 C11 H11 120.9 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C4 N2 Ag1 114.1(8) . . ?
C4 N2 C1 118.3(13) . . ?
C1 N2 Ag1 127.4(10) . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.7(12) . . ?
C30 C29 H29 120.1 . . ?
C1AA N1 Ag1 119.6(7) . . ?
C1AA N1 C9 118.4(9) . . ?
C9 N1 Ag1 121.1(7) . . ?
C38 C37 H37A 114.1 . . ?
C38 C37 H37B 114.1 . . ?
C36 C37 C38 87.3(15) . . ?
C36 C37 H37A 114.1 . . ?
C36 C37 H37B 114.1 . . ?
H37A C37 H37B 111.3 . . ?
C17 C42 C45 109.4(11) . . ?
C17 C42 H42 116.9 . . ?
C43 C42 C17 104.9(11) . . ?
C43 C42 C45 87.7(11) . . ?
C43 C42 H42 116.9 . . ?
C45 C42 H42 116.9 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N6 C12 H12 118.6 . . ?
N6 C12 C13 122.7(10) . . ?
C13 C12 H12 118.6 . . ?
O2 N7 C32 117.8(9) . . ?
O1 N7 O2 123.8(11) . . ?
O1 N7 C32 118.3(11) . . ?
C16 C01O H01A 109.7 . . ?
C16 C01O H01B 109.7 . . ?
H01A C01O H01B 108.2 . . ?
C44 C01O C16 109.8(12) . . ?
C44 C01O H01A 109.7 . . ?
C44 C01O H01B 109.7 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C8 C9 H9 118.6 . . ?
N1 C9 C8 122.9(10) . . ?
N1 C9 H9 118.6 . . ?
C22 C23 H23 119.0 . . ?
C22 C23 C24 122.0(11) . . ?
C24 C23 H23 119.0 . . ?
C28 C33 C34 118.6(9) . . ?
C32 C33 C28 116.6(9) . . ?
C32 C33 C34 124.6(9) . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.7(11) . . ?
C31 C30 H30 119.6 . . ?
C32 C31 C30 117.5(12) . . ?
C32 C31 H31 121.3 . . ?
C30 C31 H31 121.3 . . ?
C43 C44 H44 115.4 . . ?
C45 C44 C43 86.7(12) . . ?
C45 C44 H44 115.4 . . ?
C01O C44 C43 110.0(12) . . ?
C01O C44 C45 110.7(12) . . ?
C01O C44 H44 115.4 . . ?
C14 C15 C16 120.3(12) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
N5 C13 C14 118.0(10) . . ?
N5 C13 C12 120.1(10) . . ?
C12 C13 C14 121.9(10) . . ?
C26 O8 Ag2 107.7(7) . 1_455 ?
C25 C24 H24 120.0 . . ?
C23 C24 C25 119.9(11) . . ?
C23 C24 H24 120.0 . . ?
O5 C27 C28 117.6(9) . . ?
O6 C27 O5 126.1(12) . . ?
O6 C27 C28 116.3(12) . . ?

_olex2_date_sample_data_collection 2021-09-09
_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 5.290
_oxdiff_exptl_absorpt_empirical_full_min 0.537
# start Validation Reply Form
_vrf_THETM01_r3                  
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: No significant diffraction points were observed when the crystal was
 measured at high Angle
;
_vrf_PLAT090_r3                  
;
PROBLEM: Poor Data / Parameter Ratio (Zmax > 18) ........ 5.55 Note
RESPONSE: No significant diffraction points were observed when the crystal was
 measured at high Angle
;
_vrf_PLAT915_r3                  
;
PROBLEM: No Flack x Check Done: Low Friedel Pair Coverage 12 %
RESPONSE:  Moderate data quality with unknown absolute configureation.
;
# end Validation Reply Form
