# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_Ag3pz3DBT
_database_code_depnum_ccdc_archive 'CCDC 1938383'
_audit_update_record             
;
2019-10-02 deposited with the CCDC.	2019-10-14 downloaded from the CCDC.
;
_audit_creation_date             2019-09-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C30 H6 Ag6 F36 N12), 1(C12 H8 S)'
_chemical_formula_sum            'C27 H11 Ag3 F18 N6 S'
_chemical_formula_weight         1117.09
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Ag S'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_space_group_name_Hall           '-C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   24.4726(12)
_cell_length_b                   6.3315(3)
_cell_length_c                   22.0593(10)
_cell_angle_alpha                90
_cell_angle_beta                 90.630(5)
_cell_angle_gamma                90
_cell_volume                     3417.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1872
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      24.5020
_cell_measurement_theta_min      3.4440
_shelx_estimated_absorpt_T_max   0.911
_shelx_estimated_absorpt_T_min   0.703
_exptl_absorpt_coefficient_mu    1.893
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (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    2.171
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            6284
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         3.217
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     46.00  75.00   1.00   25.00    --   18.55-124.00 104.00   29
  2  ω    -92.00  -1.00   1.00   25.00    --  -19.56 -37.00  90.00   91
  3  ω    -92.00   4.00   1.00   25.00    --  -19.56 -37.00   0.00   96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0187663000
_diffrn_orient_matrix_UB_12      0.0038575000
_diffrn_orient_matrix_UB_13      -0.0233272000
_diffrn_orient_matrix_UB_21      0.0260740000
_diffrn_orient_matrix_UB_22      -0.0086457000
_diffrn_orient_matrix_UB_23      0.0170731000
_diffrn_orient_matrix_UB_31      -0.0013123000
_diffrn_orient_matrix_UB_32      -0.1116167000
_diffrn_orient_matrix_UB_33      -0.0021625000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2543
_reflns_number_total             3312
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXS
_refine_diff_density_max         2.570
_refine_diff_density_min         -2.248
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         3312
_refine_ls_number_restraints     909
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0743
_refine_ls_restrained_S_all      1.065
_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)+(0.0576P)²+106.8651P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1655
_refine_ls_wR_factor_ref         0.1843
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C1-F1 = C1-F2 = C1-F3 = C5-F4 = C5-F5 = C5-F6 = C6-F7 = C6-F8 = C6-F9 = C10-
 F10 = C10-F11 = C10-F12 = C11-F13 = C11-F14 = C11-F15 = C15-F16 = C15-F17 =
 C15-F18
 1.33 with sigma of 0.01
 F1-F2 = F1-F3 = F2-F3 = F4-F5 = F4-F6 = F5-F6 = F7-F8 = F7-F9 = F8-F9 = F10-
 F11 = F10-F12 = F11-F12 = F13-F14 = F13-F15 = F14-F15 = F16-F17 = F16-F18 =
 F17-F18
 2.13 with sigma of 0.01
 S1A-C16A = S1A-C27A = S1B-C16B = S1B-C27B = S1C-C16C = S1C-C27C
 1.74 with sigma of 0.01
 C21A-C22A = C21B-C22B = C21C-C22C
 1.43 with sigma of 0.01
 C16A-C27A = C16B-C27B = C16C-C27C
 2.49 with sigma of 0.01
 C2-F1 \\sim C2-F2 \\sim C2-F3 \\sim C4-F4 \\sim C4-F5 \\sim C4-F6 \\sim C7-F7
\\sim C7-F8 \\sim C7-F9 \\sim C9-
 F10 \\sim C9-F11 \\sim C9-F12 \\sim C12-F13 \\sim C12-F14 \\sim C12-F15 \\sim
C14-F16 \\sim C14-F17 \\sim C14-
 F18
 with sigma of 0.01
3. Restrained planarity
 S1B, C16B, C17B, C18B, C19B, C20B, C21B, C22B, C23B, C24B, C25B, C26B, C27B
 with sigma of 0.01
 S1C, C16C, C17C, C18C, C19C, C20C, C21C, C22C, C23C, C24C, C25C, C26C, C27C
 with sigma of 0.01
 S1A, C16A, C17A, C18A, C19A, C20A, C21A, C22A, C23A, C24A, C25A, C26A, C27A
 with sigma of 0.01
4. Rigid bond restraints
 F15, C11, F13, F14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
F15 \\sim C11 \\sim F14 \\sim F13: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
F7 \\sim F9 \\sim C6 \\sim F8: within 2A with sigma of 0.004 and sigma for
terminal atoms of 0.008
C20A \\sim C19A \\sim C18A \\sim C17A \\sim C16A \\sim C21A \\sim C22A \\sim
C27A \\sim C26A \\sim C25A \\sim C24A \\sim C23A: within 2A with sigma of 0.005
and sigma for terminal atoms of 0.01
C16C \\sim C21C \\sim C20C \\sim C19C \\sim C18C \\sim C17C \\sim C27C \\sim
C22C \\sim C23C \\sim C24C \\sim C25C \\sim C26C: within 2A with sigma of 0.005
and sigma for terminal atoms of 0.01
C27B \\sim C26B \\sim C25B \\sim C24B \\sim C23B \\sim C22B \\sim C21B \\sim
C20B \\sim C19B \\sim C18B \\sim C17B \\sim C16B: within 2A with sigma of 0.005
and sigma for terminal atoms of 0.01
Uanis(S1A) \\sim Ueq, Uanis(S1B) \\sim Ueq, Uanis(S1C) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C4) \\sim
Ueq, Uanis(C5) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C1)
\\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C11) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F4) \\sim
Ueq, Uanis(F5) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8)
\\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq,
Uanis(F12) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F15)
\\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C16A) \\sim Ueq, Uanis(C17A) \\sim Ueq, Uanis(C18A) \\sim Ueq,
Uanis(C19A) \\sim Ueq, Uanis(C20A) \\sim Ueq, Uanis(C21A) \\sim Ueq,
Uanis(C22A) \\sim Ueq, Uanis(C23A) \\sim Ueq, Uanis(C24A) \\sim Ueq,
Uanis(C25A) \\sim Ueq, Uanis(C26A) \\sim Ueq, Uanis(C27A) \\sim Ueq,
Uanis(C16B) \\sim Ueq, Uanis(C17B) \\sim Ueq, Uanis(C18B) \\sim Ueq,
Uanis(C19B) \\sim Ueq, Uanis(C20B) \\sim Ueq, Uanis(C21B) \\sim Ueq,
Uanis(C22B) \\sim Ueq, Uanis(C23B) \\sim Ueq, Uanis(C24B) \\sim Ueq,
Uanis(C25B) \\sim Ueq, Uanis(C26B) \\sim Ueq, Uanis(C27B) \\sim Ueq,
Uanis(C16C) \\sim Ueq, Uanis(C17C) \\sim Ueq, Uanis(C18C) \\sim Ueq,
Uanis(C19C) \\sim Ueq, Uanis(C20C) \\sim Ueq, Uanis(C21C) \\sim Ueq,
Uanis(C22C) \\sim Ueq, Uanis(C23C) \\sim Ueq, Uanis(C24C) \\sim Ueq,
Uanis(C25C) \\sim Ueq, Uanis(C26C) \\sim Ueq, Uanis(C27C) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
6. Others
 Fixed Sof: F1(0.5) F2(0.5) F3(0.5) F4(0.5) F5(0.5) F6(0.5) F7(0.5) F8(0.5)
 F9(0.5) F10(0.5) F11(0.5) F12(0.5) F13(0.5) F14(0.5) F15(0.5) F16(0.5)
 F17(0.5) F18(0.5) S1A(0.16667) C16A(0.16667) C17A(0.16667) H17A(0.16667)
 C18A(0.16667) H18A(0.16667) C19A(0.16667) H19A(0.16667) C20A(0.16667)
 H20A(0.16667) C21A(0.16667) C22A(0.16667) C23A(0.16667) H23A(0.16667)
 C24A(0.16667) H24A(0.16667) C25A(0.16667) H25A(0.16667) C26A(0.16667)
 H26A(0.16667) C27A(0.16667) S1B(0.16667) C16B(0.16667) C17B(0.16667)
 H17B(0.16667) C18B(0.16667) H18B(0.16667) C19B(0.16667) H19B(0.16667)
 C20B(0.16667) H20B(0.16667) C21B(0.16667) C22B(0.16667) C23B(0.16667)
 H23B(0.16667) C24B(0.16667) H24B(0.16667) C25B(0.16667) H25B(0.16667)
 C26B(0.16667) H26B(0.16667) C27B(0.16667) S1C(0.16667) C16C(0.16667)
 C17C(0.16667) H17C(0.16667) C18C(0.16667) H18C(0.16667) C19C(0.16667)
 H19C(0.16667) C20C(0.16667) H20C(0.16667) C21C(0.16667) C22C(0.16667)
 C23C(0.16667) H23C(0.16667) C24C(0.16667) H24C(0.16667) C25C(0.16667)
 H25C(0.16667) C26C(0.16667) H26C(0.16667) C27C(0.16667)
7.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C13(H13), C17A(H17A), C18A(H18A), C19A(H19A), C20A(H20A),
 C23A(H23A), C24A(H24A), C25A(H25A), C26A(H26A), C17B(H17B), C18B(H18B),
 C19B(H19B), C20B(H20B), C23B(H23B), C24B(H24B), C25B(H25B), C26B(H26B),
 C17C(H17C), C18C(H18C), C19C(H19C), C20C(H20C), C23C(H23C), C24C(H24C),
 C25C(H25C), C26C(H26C)
7.b Fitted hexagon refined as free rotating group:
 C16A(C17A,C18A,C19A,C20A,C21A), C22A(C23A,C24A,C25A,C26A,C27A), C16B(C17B,
 C18B,C19B,C20B,C21B), C22B(C23B,C24B,C25B,C26B,C27B), C16C(C17C,C18C,C19C,C20C,
 C21C), C22C(C23C,C24C,C25C,C26C,C27C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.39196(4) 0.500000 0.16197(4) 0.0439(3) Uani 1 2 d S T P . .
Ag2 Ag 0.42427(4) 0.500000 0.31690(4) 0.0425(2) Uani 1 2 d S T P . .
Ag3 Ag 0.28846(4) 0.500000 0.26813(5) 0.0463(3) Uani 1 2 d S T P . .
F1 F 0.5216(5) 0.7071(9) 0.0757(3) 0.127(6) Uani 0.5 1 d D U . A -1
F2 F 0.4785(3) 0.4186(14) 0.0684(3) 0.112(6) Uani 0.5 1 d D U . A -1
F3 F 0.5661(3) 0.4191(14) 0.0734(4) 0.114(6) Uani 0.5 1 d D U . A -1
F4 F 0.5685(4) 0.7083(9) 0.3388(4) 0.143(7) Uani 0.5 1 d D U . A -1
F5 F 0.5406(3) 0.4007(14) 0.3604(3) 0.119(6) Uani 0.5 1 d D U . A -1
F6 F 0.6186(2) 0.4446(15) 0.3184(4) 0.093(5) Uani 0.5 1 d D U . A -1
F7 F 0.4303(4) 0.7022(9) 0.4846(5) 0.143(4) Uani 0.5 1 d D U . B -1
F8 F 0.4070(4) 0.4188(15) 0.5305(3) 0.117(3) Uani 0.5 1 d D U . B -1
F9 F 0.4540(3) 0.4051(14) 0.4494(4) 0.115(3) Uani 0.5 1 d D U . B -1
F10 F 0.1906(3) 0.5585(16) 0.4526(3) 0.117(6) Uani 0.5 1 d D U . B -1
F11 F 0.1994(3) 0.2892(9) 0.3963(5) 0.114(5) Uani 0.5 1 d D U . B -1
F12 F 0.1957(3) 0.5910(14) 0.3557(3) 0.129(7) Uani 0.5 1 d D U . B -1
F13 F 0.1686(4) 0.6316(12) 0.2250(3) 0.111(4) Uani 0.5 1 d D U . C -1
F14 F 0.1269(2) 0.5458(18) 0.1432(4) 0.127(4) Uani 0.5 1 d D U . C -1
F15 F 0.1592(4) 0.3074(10) 0.2022(4) 0.143(5) Uani 0.5 1 d D U . C -1
F16 F 0.3601(3) 0.6385(12) 0.0247(4) 0.128(7) Uani 0.5 1 d D U . C -1
F17 F 0.2909(3) 0.5337(19) -0.0270(2) 0.105(4) Uani 0.5 1 d D U . C -1
F18 F 0.3443(3) 0.3101(10) 0.0157(4) 0.124(6) Uani 0.5 1 d D U . C -1
N1 N 0.4726(4) 0.500000 0.1919(4) 0.050(3) Uani 1 2 d S T P . .
N2 N 0.4850(5) 0.500000 0.2523(5) 0.056(3) Uani 1 2 d S T P . .
N3 N 0.3601(5) 0.500000 0.3793(5) 0.064(4) Uani 1 2 d S T P . .
N4 N 0.3077(5) 0.500000 0.3607(5) 0.058(3) Uani 1 2 d S T P . .
N5 N 0.2689(5) 0.500000 0.1754(6) 0.063(3) Uani 1 2 d S T P . .
N6 N 0.3108(5) 0.500000 0.1344(5) 0.052(3) Uani 1 2 d S T P . .
C1 C 0.5214(3) 0.500000 0.0951(6) 0.110(6) Uani 1 2 d DS TU P . .
C2 C 0.5193(4) 0.500000 0.1620(3) 0.077(5) Uani 1 2 d DS TU P A .
C3 C 0.5643(8) 0.500000 0.2022(8) 0.089(5) Uani 1 2 d S TU P . .
H3 H 0.602072 0.500000 0.192729 0.107 Uiso 1 2 calc RS T P A .
C4 C 0.5408(3) 0.500000 0.2582(3) 0.077(5) Uani 1 2 d DS TU P A .
C5 C 0.5671(4) 0.500000 0.3186(5) 0.119(7) Uani 1 2 d DS TU P . .
C6 C 0.4134(4) 0.500000 0.4759(4) 0.125(3) Uani 1 2 d DS TU P . .
C7 C 0.3620(3) 0.500000 0.4399(4) 0.084(5) Uani 1 2 d DS TU P B .
C8 C 0.3080(9) 0.500000 0.4612(11) 0.119(7) Uani 1 2 d S TU P . .
H8 H 0.296283 0.500000 0.502057 0.142 Uiso 1 2 calc RS T P B .
C9 C 0.2757(2) 0.500000 0.4088(4) 0.080(5) Uani 1 2 d DS T P B .
C10 C 0.2158(5) 0.500000 0.4033(4) 0.104(7) Uani 1 2 d DS T P . .
C11 C 0.1696(4) 0.500000 0.1790(4) 0.116(4) Uani 1 2 d DS TU P . .
C12 C 0.2211(3) 0.500000 0.1455(4) 0.077(5) Uani 1 2 d DS T P C .
C13 C 0.2305(7) 0.500000 0.0842(9) 0.093(6) Uani 1 2 d S T P . .
H13 H 0.203856 0.500000 0.052575 0.111 Uiso 1 2 calc RS T P C .
C14 C 0.2862(3) 0.500000 0.0779(3) 0.079(5) Uani 1 2 d DS T P C .
C15 C 0.3203(4) 0.500000 0.0231(5) 0.104(6) Uani 1 2 d DS TU P . .
S1A S 0.4087(3) 0.000000 0.1422(3) 0.0315(19) Uani 0.3333 2 d DS TU P D 1
C16A C 0.4416(3) 0.000000 0.2127(4) 0.0355(18) Uani 0.3333 2 d DS TU P D 1
C17A C 0.4977(3) 0.00000(12) 0.2235(5) 0.0379(19) Uani 0.3333 2 d GS TU P D 1
H17A H 0.522201 0.000000 0.190385 0.045 Uiso 0.3333 2 calc RS T P D 1
C18A C 0.5178(4) 0.0000(3) 0.2826(6) 0.0383(19) Uani 0.3333 2 d GS TU P D 1
H18A H 0.556161 0.000000 0.289962 0.046 Uiso 0.3333 2 calc RS T P D 1
C19A C 0.4819(6) 0.0000(4) 0.3310(4) 0.0378(19) Uani 0.3333 2 d GS TU P D 1
H19A H 0.495729 0.000000 0.371432 0.045 Uiso 0.3333 2 calc RS T P D 1
C20A C 0.4259(5) 0.0000(4) 0.3203(4) 0.0367(18) Uani 0.3333 2 d GS TU P D 1
H20A H 0.401335 0.000000 0.353326 0.044 Uiso 0.3333 2 calc RS T P D 1
C21A C 0.4057(3) 0.0000(2) 0.2611(5) 0.0349(15) Uani 0.3333 2 d DGS TU P D 1
C22A C 0.3502(3) 0.000000 0.2393(5) 0.0337(15) Uani 0.3333 2 d DS TU P D 1
C23A C 0.3037(4) 0.0000(4) 0.2749(5) 0.0340(18) Uani 0.3333 2 d GS TU P D 1
H23A H 0.307090 0.000000 0.317867 0.041 Uiso 0.3333 2 calc RS T P D 1
C24A C 0.2522(3) 0.0000(6) 0.2477(6) 0.0348(19) Uani 0.3333 2 d GS TU P D 1
H24A H 0.220412 0.000000 0.272015 0.042 Uiso 0.3333 2 calc RS T P D 1
C25A C 0.2472(3) 0.0000(6) 0.1849(6) 0.0348(19) Uani 0.3333 2 d GS TU P D 1
H25A H 0.212042 0.000000 0.166242 0.042 Uiso 0.3333 2 calc RS T P D 1
C26A C 0.2937(4) 0.0000(6) 0.1493(5) 0.0343(19) Uani 0.3333 2 d GS TU P D 1
H26A H 0.290351 0.000000 0.106321 0.041 Uiso 0.3333 2 calc RS T P D 1
C27A C 0.3452(3) 0.0000(4) 0.1765(5) 0.0336(18) Uani 0.3333 2 d DGS TU P D 1
S1B S 0.4426(3) 0.000000 0.3309(3) 0.036(2) Uani 0.3333 2 d DS TU P E 2
C16B C 0.3712(3) 0.000000 0.3269(4) 0.0314(18) Uani 0.3333 2 d DS TU P E 2
C17B C 0.3357(4) 0.00000(14) 0.3757(4) 0.0331(19) Uani 0.3333 2 d GS TU P E 2
H17B H 0.349861 0.000000 0.415962 0.040 Uiso 0.3333 2 calc RS T P E 2
C18B C 0.2796(3) 0.0000(2) 0.3655(6) 0.0343(19) Uani 0.3333 2 d GS TU P E 2
H18B H 0.255334 0.000000 0.398803 0.041 Uiso 0.3333 2 calc RS T P E 2
C19B C 0.2589(3) 0.0000(3) 0.3065(7) 0.0334(19) Uani 0.3333 2 d GS TU P E 2
H19B H 0.220564 0.000000 0.299563 0.040 Uiso 0.3333 2 calc RS T P E 2
C20B C 0.2944(4) 0.0000(3) 0.2578(5) 0.0317(18) Uani 0.3333 2 d GS TU P E 2
H20B H 0.280323 0.000000 0.217480 0.038 Uiso 0.3333 2 calc RS T P E 2
C21B C 0.3506(4) 0.00000(19) 0.2680(4) 0.0304(15) Uani 0.3333 2 d DGS TU P E 2
C22B C 0.3946(3) 0.000000 0.2257(3) 0.0283(15) Uani 0.3333 2 d DS TU P E 2
C23B C 0.3887(4) 0.0000(4) 0.1630(4) 0.0284(18) Uani 0.3333 2 d GS TU P E 2
H23B H 0.353265 0.000000 0.144983 0.034 Uiso 0.3333 2 calc RS T P E 2
C24B C 0.4347(5) 0.0000(7) 0.1266(3) 0.0293(19) Uani 0.3333 2 d GS TU P E 2
H24B H 0.430703 0.000000 0.083696 0.035 Uiso 0.3333 2 calc RS T P E 2
C25B C 0.4866(5) 0.0000(7) 0.1529(5) 0.0308(18) Uani 0.3333 2 d GS TU P E 2
H25B H 0.518004 0.000000 0.128039 0.037 Uiso 0.3333 2 calc RS T P E 2
C26B C 0.4924(3) 0.0000(5) 0.2157(5) 0.0303(18) Uani 0.3333 2 d GS TU P E 2
H26B H 0.527869 0.000000 0.233671 0.036 Uiso 0.3333 2 calc RS T P E 2
C27B C 0.4464(4) 0.0000(3) 0.2521(3) 0.0274(18) Uani 0.3333 2 d DGS TU P E 2
S1C S 0.2723(3) 0.000000 0.2809(3) 0.0330(19) Uani 0.3333 2 d DS TU P F 3
C16C C 0.3108(4) 0.000000 0.2158(3) 0.0295(18) Uani 0.3333 2 d DS TU P F 3
C17C C 0.2922(5) 0.00000(14) 0.1560(3) 0.0308(18) Uani 0.3333 2 d GS TU P F 3
H17C H 0.254059 0.000000 0.147453 0.037 Uiso 0.3333 2 calc RS T P F 3
C18C C 0.3293(6) 0.0000(2) 0.1088(3) 0.0321(18) Uani 0.3333 2 d GS TU P F 3
H18C H 0.316595 0.000000 0.067968 0.038 Uiso 0.3333 2 calc RS T P F 3
C19C C 0.3851(6) 0.0000(4) 0.1213(5) 0.0320(19) Uani 0.3333 2 d GS TU P F 3
H19C H 0.410510 0.000000 0.089067 0.038 Uiso 0.3333 2 calc RS T P F 3
C20C C 0.4038(4) 0.0000(5) 0.1811(6) 0.0318(18) Uani 0.3333 2 d GS TU P F 3
H20C H 0.441891 0.000000 0.189653 0.038 Uiso 0.3333 2 calc RS T P F 3
C21C C 0.3666(5) 0.0000(3) 0.2283(4) 0.0312(15) Uani 0.3333 2 d DGS TU P F 3
C22C C 0.3778(4) 0.000000 0.2926(3) 0.0320(15) Uani 0.3333 2 d DS TU P F 3
C23C C 0.4286(4) 0.0000(4) 0.3213(4) 0.0330(18) Uani 0.3333 2 d GS TU P F 3
H23C H 0.461012 0.000000 0.297983 0.040 Uiso 0.3333 2 calc RS T P F 3
C24C C 0.4321(4) 0.0000(7) 0.3843(5) 0.0334(19) Uani 0.3333 2 d GS TU P F 3
H24C H 0.466829 0.000000 0.403934 0.040 Uiso 0.3333 2 calc RS T P F 3
C25C C 0.3847(5) 0.0000(6) 0.4185(3) 0.0332(19) Uani 0.3333 2 d GS TU P F 3
H25C H 0.387080 0.000000 0.461491 0.040 Uiso 0.3333 2 calc RS T P F 3
C26C C 0.3339(5) 0.0000(6) 0.3897(4) 0.0326(18) Uani 0.3333 2 d GS TU P F 3
H26C H 0.301512 0.000000 0.413096 0.039 Uiso 0.3333 2 calc RS T P F 3
C27C C 0.3304(4) 0.0000(4) 0.3268(4) 0.0311(18) Uani 0.3333 2 d DGS TU P F 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.074(11) . ?
Ag1 N6 2.071(11) . ?
Ag2 N2 2.070(11) . ?
Ag2 N3 2.099(12) . ?
Ag3 N4 2.090(12) . ?
Ag3 N5 2.096(12) . ?
F1 C1 1.379(6) . ?
F2 C1 1.303(8) . ?
F3 C1 1.303(8) . ?
F4 C5 1.393(6) . ?
F5 C5 1.296(8) . ?
F6 C5 1.306(8) . ?
F7 C6 1.358(6) . ?
F8 C6 1.319(8) . ?
F9 C6 1.305(8) . ?
F10 C10 1.309(8) . ?
F11 C10 1.402(6) . ?
F12 C10 1.292(8) . ?
F13 C11 1.313(8) . ?
F14 C11 1.333(9) . ?
F15 C11 1.348(6) . ?
F16 C15 1.311(7) . ?
F17 C15 1.329(9) . ?
F18 C15 1.349(6) . ?
N1 N2 1.365(14) . ?
N1 C2 1.325(13) . ?
N2 C4 1.370(14) . ?
N3 N4 1.342(16) . ?
N3 C7 1.339(14) . ?
N4 C9 1.327(14) . ?
N5 N6 1.374(16) . ?
N5 C12 1.335(13) . ?
N6 C14 1.378(12) . ?
C1 C2 1.478(13) . ?
C2 C3 1.41(2) . ?
C3 C4 1.37(2) . ?
C4 C5 1.473(12) . ?
C6 C7 1.482(12) . ?
C7 C8 1.41(2) . ?
C8 C9 1.39(2) . ?
C9 C10 1.469(12) . ?
C11 C12 1.469(12) . ?
C12 C13 1.37(2) . ?
C13 C14 1.371(19) . ?
C14 C15 1.476(12) . ?
S1A C16A 1.742(8) . ?
S1A C27A 1.736(8) . ?
C16A C17A 1.3900 . ?
C16A C21A 1.3900 . ?
C17A C18A 1.3900 . ?
C18A C19A 1.3900 . ?
C19A C20A 1.3900 . ?
C20A C21A 1.3900 . ?
C21A C22A 1.435(8) . ?
C22A C23A 1.3900 . ?
C22A C27A 1.3900 . ?
C23A C24A 1.3900 . ?
C24A C25A 1.3900 . ?
C25A C26A 1.3900 . ?
C26A C27A 1.3900 . ?
S1B C16B 1.747(8) . ?
S1B C27B 1.743(8) . ?
C16B C17B 1.3900 . ?
C16B C21B 1.3900 . ?
C17B C18B 1.3900 . ?
C18B C19B 1.3900 . ?
C19B C20B 1.3900 . ?
C20B C21B 1.3900 . ?
C21B C22B 1.431(8) . ?
C22B C23B 1.3900 . ?
C22B C27B 1.3900 . ?
C23B C24B 1.3900 . ?
C24B C25B 1.3900 . ?
C25B C26B 1.3900 . ?
C26B C27B 1.3900 . ?
S1C C16C 1.727(8) . ?
S1C C27C 1.736(8) . ?
C16C C17C 1.3900 . ?
C16C C21C 1.3900 . ?
C17C C18C 1.3900 . ?
C18C C19C 1.3900 . ?
C19C C20C 1.3900 . ?
C20C C21C 1.3900 . ?
C21C C22C 1.442(8) . ?
C22C C23C 1.3900 . ?
C22C C27C 1.3900 . ?
C23C C24C 1.3900 . ?
C24C C25C 1.3900 . ?
C25C C26C 1.3900 . ?
C26C C27C 1.3900 . ?

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 Ag1 N1 178.5(4) . . ?
N2 Ag2 N3 177.5(4) . . ?
N4 Ag3 N5 179.8(5) . . ?
N2 N1 Ag1 120.7(8) . . ?
C2 N1 Ag1 131.7(7) . . ?
C2 N1 N2 107.6(9) . . ?
N1 N2 Ag2 121.3(8) . . ?
N1 N2 C4 107.6(9) . . ?
C4 N2 Ag2 131.1(7) . . ?
N4 N3 Ag2 121.3(9) . . ?
C7 N3 Ag2 129.6(8) . . ?
C7 N3 N4 109.1(10) . . ?
N3 N4 Ag3 120.2(9) . . ?
C9 N4 Ag3 130.8(8) . . ?
C9 N4 N3 109.0(10) . . ?
N6 N5 Ag3 118.5(8) . . ?
C12 N5 Ag3 132.2(9) . . ?
C12 N5 N6 109.3(10) . . ?
N5 N6 Ag1 121.9(8) . . ?
N5 N6 C14 105.9(9) . . ?
C14 N6 Ag1 132.3(8) . . ?
F1 C1 C2 108.0(6) . . ?
F2 C1 F1 104.0(8) . . ?
F2 C1 F3 110.7(8) . . ?
F2 C1 C2 114.5(7) . . ?
F3 C1 F1 104.7(8) . . ?
F3 C1 C2 113.9(7) . . ?
N1 C2 C1 122.4(8) . . ?
N1 C2 C3 111.1(10) . . ?
C3 C2 C1 126.5(10) . . ?
C4 C3 C2 103.6(13) . . ?
N2 C4 C5 120.7(7) . . ?
C3 C4 N2 110.0(10) . . ?
C3 C4 C5 129.2(11) . . ?
F4 C5 C4 107.4(6) . . ?
F5 C5 F4 104.0(8) . . ?
F5 C5 F6 111.3(8) . . ?
F5 C5 C4 115.1(7) . . ?
F6 C5 F4 103.6(7) . . ?
F6 C5 C4 114.1(8) . . ?
F7 C6 C7 109.3(6) . . ?
F8 C6 F7 106.2(8) . . ?
F8 C6 C7 112.3(7) . . ?
F9 C6 F7 105.4(8) . . ?
F9 C6 F8 109.1(7) . . ?
F9 C6 C7 114.0(7) . . ?
N3 C7 C6 123.8(8) . . ?
N3 C7 C8 108.1(12) . . ?
C8 C7 C6 128.1(12) . . ?
C9 C8 C7 104.5(16) . . ?
N4 C9 C8 109.2(12) . . ?
N4 C9 C10 122.1(8) . . ?
C8 C9 C10 128.7(12) . . ?
F10 C10 F11 103.0(7) . . ?
F10 C10 C9 114.3(7) . . ?
F11 C10 C9 107.1(5) . . ?
F12 C10 F10 111.7(8) . . ?
F12 C10 F11 103.2(7) . . ?
F12 C10 C9 116.0(7) . . ?
F13 C11 F14 107.3(7) . . ?
F13 C11 F15 106.0(8) . . ?
F13 C11 C12 114.4(7) . . ?
F14 C11 F15 105.8(8) . . ?
F14 C11 C12 111.9(7) . . ?
F15 C11 C12 111.0(6) . . ?
N5 C12 C11 120.2(8) . . ?
N5 C12 C13 109.3(10) . . ?
C13 C12 C11 130.5(9) . . ?
C14 C13 C12 106.1(12) . . ?
N6 C14 C15 119.7(8) . . ?
C13 C14 N6 109.4(10) . . ?
C13 C14 C15 130.8(10) . . ?
F16 C15 F17 108.1(7) . . ?
F16 C15 F18 105.9(8) . . ?
F16 C15 C14 113.9(7) . . ?
F17 C15 F18 105.9(8) . . ?
F17 C15 C14 112.0(7) . . ?
F18 C15 C14 110.5(6) . . ?
C27A S1A C16A 91.0(5) . . ?
C17A C16A S1A 126.7(5) . . ?
C17A C16A C21A 120.0 . . ?
C21A C16A S1A 113.3(5) . . ?
C16A C17A C18A 120.0 . . ?
C19A C18A C17A 120.0 . . ?
C18A C19A C20A 120.0 . . ?
C19A C20A C21A 120.0 . . ?
C16A C21A C22A 110.3(8) . . ?
C20A C21A C16A 120.0 . . ?
C20A C21A C22A 129.7(8) . . ?
C23A C22A C21A 126.1(7) . . ?
C23A C22A C27A 120.0 . . ?
C27A C22A C21A 113.9(7) . . ?
C24A C23A C22A 120.0 . . ?
C25A C24A C23A 120.0 . . ?
C24A C25A C26A 120.0 . . ?
C25A C26A C27A 120.0 . . ?
C22A C27A S1A 111.4(6) . . ?
C26A C27A S1A 128.6(6) . . ?
C26A C27A C22A 120.0 . . ?
C27B S1B C16B 90.8(4) . . ?
C17B C16B S1B 126.4(6) . . ?
C17B C16B C21B 120.0 . . ?
C21B C16B S1B 113.6(6) . . ?
C18B C17B C16B 120.0 . . ?
C17B C18B C19B 120.0 . . ?
C20B C19B C18B 120.0 . . ?
C21B C20B C19B 120.0 . . ?
C16B C21B C22B 109.9(7) . . ?
C20B C21B C16B 120.0 . . ?
C20B C21B C22B 130.1(7) . . ?
C23B C22B C21B 125.3(7) . . ?
C23B C22B C27B 120.0 . . ?
C27B C22B C21B 114.7(7) . . ?
C24B C23B C22B 120.0 . . ?
C23B C24B C25B 120.0 . . ?
C24B C25B C26B 120.0 . . ?
C25B C26B C27B 120.0 . . ?
C22B C27B S1B 111.0(5) . . ?
C26B C27B S1B 129.0(5) . . ?
C26B C27B C22B 120.0 . . ?
C16C S1C C27C 92.0(5) . . ?
C17C C16C S1C 127.8(6) . . ?
C17C C16C C21C 120.0 . . ?
C21C C16C S1C 112.2(6) . . ?
C18C C17C C16C 120.0 . . ?
C17C C18C C19C 120.0 . . ?
C20C C19C C18C 120.0 . . ?
C19C C20C C21C 120.0 . . ?
C16C C21C C22C 111.8(8) . . ?
C20C C21C C16C 120.0 . . ?
C20C C21C C22C 128.2(8) . . ?
C23C C22C C21C 127.5(8) . . ?
C23C C22C C27C 120.0 . . ?
C27C C22C C21C 112.5(8) . . ?
C22C C23C C24C 120.0 . . ?
C25C C24C C23C 120.0 . . ?
C24C C25C C26C 120.0 . . ?
C27C C26C C25C 120.0 . . ?
C22C C27C S1C 111.5(5) . . ?
C26C C27C S1C 128.5(5) . . ?
C26C C27C C22C 120.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.141
_oxdiff_exptl_absorpt_empirical_full_min 0.879
####################################################################### 
# 
# 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_Ag3L3DMDBT
_database_code_depnum_ccdc_archive 'CCDC 1938384'
_audit_update_record             
;
2019-10-02 deposited with the CCDC.	2019-10-14 downloaded from the CCDC.
;
_audit_creation_date             2019-09-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H3 Ag3 F18 N6, C14 H12 S'
_chemical_formula_sum            'C29 H15 Ag3 F18 N6 S'
_chemical_formula_weight         1145.14
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   13.1618(8)
_cell_length_b                   15.6344(9)
_cell_length_c                   15.6527(9)
_cell_angle_alpha                83.7474(7)
_cell_angle_beta                 65.3474(7)
_cell_angle_gamma                65.8734(6)
_cell_volume                     2664.3(3)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    9955
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      27.5097
_cell_measurement_theta_min      2.6855
_shelx_estimated_absorpt_T_max   0.759
_shelx_estimated_absorpt_T_min   0.712
_exptl_absorpt_coefficient_mu    1.824
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_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    2.141
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1650
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_av_unetI/netI     0.0475
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.923
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21246
_diffrn_reflns_point_group_measured_fraction_full 0.807
_diffrn_reflns_point_group_measured_fraction_max 0.730
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.527
_diffrn_reflns_theta_min         2.101
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.581
_reflns_Friedel_fraction_full    0.623
_reflns_Friedel_fraction_max     0.536
_reflns_number_gt                16882
_reflns_number_total             17932
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXS
_refine_diff_density_max         1.340
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.140
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.11(2)
_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     1751
_refine_ls_number_reflns         17932
_refine_ls_number_restraints     6796
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0443
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0344P)²+16.2203P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1088
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.89(2)
 0.11(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C1-F1 = C1-F2 = C1-F3 = C5-F4 = C5-F5 = C5-F6 = C6-F7 = C6-F8 = C6-F9 = C10-
 F10 = C10-F11 = C10-F12 = C11-F13 = C11-F14 = C11-F15 = C15-F16 = C15-F17 =
 C15-F18 = C16-F19 = C16-F20 = C16-F21 = C20-F22 = C20-F23 = C20-F24 = C21-F25 =
  C21-F26 = C21-F27 = C25-F28 = C25-F29 = C25-F30 = C26-F31 = C26-F32 = C26-F33
 = C30-F34 = C30-F35 = C30-F36 = C31-F37 = C31-F38 = C31-F39 = C35-F40 = C35-
 F41 = C35-F42 = C36-F43 = C36-F44 = C36-F45 = C40-F46 = C40-F47 = C40-F48 =
 C41-F49 = C41-F50 = C41-F51 = C45-F52 = C45-F53 = C45-F54 = C1-F1' = C1-F2' =
 C1-F3' = C5-F4' = C5-F5' = C5-F6' = C6-F7' = C6-F8' = C6-F9' = C10-F10' = C10-
 F11' = C10-F12' = C11-F13' = C11-F14' = C11-F15' = C15-F16' = C15-F17' = C15-
 F18' = C16-F19' = C16-F20' = C16-F21' = C20-F22' = C20-F23' = C20-F24' = C21-
 F25' = C21-F26' = C21-F27' = C25-F28' = C25-F29' = C25-F30' = C26-F31' = C26-
 F32' = C26-F33' = C30-F34' = C30-F35' = C30-F36' = C31-F37' = C31-F38' = C31-
 F39' = C35-F40' = C35-F41' = C35-F42' = C36-F43' = C36-F44' = C36-F45' = C40-
 F46' = C40-F47' = C40-F48' = C41-F49' = C41-F50' = C41-F51' = C45-F52' = C45-
 F53' = C45-F54
 1.33 with sigma of 0.01
 F1-F2 = F1-F3 = F2-F3 = F4-F5 = F4-F6 = F5-F6 = F7-F8 = F7-F9 = F8-F9 = F10-
 F11 = F10-F12 = F11-F12 = F13-F14 = F13-F15 = F14-F15 = F16-F17 = F16-F18 =
 F17-F18 = F19-F20 = F19-F20 = F20-F21 = F22-F23 = F22-F24 = F23-F24 = F25-F26 =
  F25-F27 = F26-F27 = F28-F29 = F28-F30 = F29-F30 = F31-F32 = F31-F33 = F32-F33
 = F34-F35 = F34-F36 = F35-F36 = F37-F38 = F37-F39 = F38-F39 = F40-F41 = F40-
 F42 = F41-F42 = F43-F44 = F43-F45 = F44-F45 = F46-F47 = F46-F48 = F47-F48 =
 F49-F50 = F49-F51 = F50-F51 = F52-F53 = F52-F54 = F53-F54 = F1'-F2' = F1'-F3' =
  F2'-F3' = F4'-F5' = F4'-F6' = F5'-F6' = F7'-F8' = F7'-F9' = F8'-F9' = F10'-
 F11' = F10'-F12' = F11'-F12' = F13'-F14' = F13'-F15' = F14'-F15' = F16'-F17' =
 F16'-F18' = F17'-F18' = F19'-F20' = F19'-F20' = F20'-F21' = F22'-F23' = F22'-
 F24' = F23'-F24' = F25'-F26' = F25'-F27' = F26'-F27' = F28'-F29' = F28'-F30' =
 F29'-F30' = F31'-F32' = F31'-F33' = F32'-F33' = F34'-F35' = F34'-F36' = F35'-
 F36' = F37'-F38' = F37'-F39' = F38'-F39' = F40'-F41' = F40'-F42' = F41'-F42' =
 F43'-F44' = F43'-F45' = F44'-F45' = F46'-F47' = F46'-F48' = F47'-F48' = F49'-
 F50' = F49'-F51' = F50'-F51' = F52'-F53' = F52'-F54' = F53'-F54'
 2.13 with sigma of 0.01
 C2-F1 \\sim C2-F2 \\sim C2-F3 \\sim C4-F4 \\sim C4-F5 \\sim C4-F6 \\sim C7-F7
\\sim C7-F8 \\sim C7-F9 \\sim C9-
 F10 \\sim C9-F11 \\sim C9-F12 \\sim C12-F13 \\sim C12-F14 \\sim C12-F15 \\sim
C14-F16 \\sim C14-F17 \\sim C14-
 F18 \\sim C17-F19 \\sim C17-F20 \\sim C17-F21 \\sim C19-F22 \\sim C19-F23
\\sim C19-F24 \\sim C22-F25 ~
 C22-F26 \\sim C22-F27 \\sim C24-F28 \\sim C24-F29 \\sim C24-F30 \\sim C27-F31
\\sim C27-F32 \\sim C27-F33
 \\sim C29-F34 \\sim C29-F35 \\sim C29-F36 \\sim C32-F37 \\sim C32-F38 \\sim
C32-F39 \\sim C34-F40 \\sim C34-
 F41 \\sim C34-F42 \\sim C37-F43 \\sim C37-F44 \\sim C37-F45 \\sim C39-F46
\\sim C39-F47 \\sim C39-F48 ~
 C42-F49 \\sim C42-F50 \\sim C42-F51 \\sim C44-F52 \\sim C44-F53 \\sim C44-F54
\\sim C2-F1' \\sim C2-F2' ~
 C2-F3' \\sim C4-F4' \\sim C4-F5' \\sim C4-F6' \\sim C7-F7' \\sim C7-F8' \\sim
C7-F9' \\sim C9-F10' \\sim C9-
 F11' \\sim C9-F12' \\sim C12-F13' \\sim C12-F14' \\sim C12-F15' \\sim C14-F16'
\\sim C14-F17' \\sim C14-
 F18' \\sim C17-F19' \\sim C17-F20' \\sim C17-F21' \\sim C19-F22' \\sim
C19-F23' \\sim C19-F24' \\sim C22-
 F25' \\sim C22-F26' \\sim C22-F27' \\sim C24-F28' \\sim C24-F29' \\sim
C24-F30' \\sim C27-F31' \\sim C27-
 F32' \\sim C27-F33' \\sim C29-F34' \\sim C29-F35' \\sim C29-F36' \\sim
C32-F37' \\sim C32-F38' \\sim C32-
 F39' \\sim C34-F40' \\sim C34-F41' \\sim C34-F42' \\sim C37-F43' \\sim
C37-F44' \\sim C37-F45' \\sim C39-
 F46' \\sim C39-F47' \\sim C39-F48' \\sim C42-F49' \\sim C42-F50' \\sim
C42-F51' \\sim C44-F52' \\sim C44-
 F53' \\sim C44-F54'
 with sigma of 0.01
4. Rigid bond restraints
 N17, N18
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
N17 \\sim N18: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(N12) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F4) \\sim
Ueq, Uanis(F5) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8)
\\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq,
Uanis(F12) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F15)
\\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq,
Uanis(F19) \\sim Ueq, Uanis(F20) \\sim Ueq, Uanis(F21) \\sim Ueq, Uanis(F22)
\\sim Ueq, Uanis(F23) \\sim Ueq, Uanis(F24) \\sim Ueq, Uanis(F25) \\sim Ueq,
Uanis(F26) \\sim Ueq, Uanis(F27) \\sim Ueq, Uanis(F28) \\sim Ueq, Uanis(F29)
\\sim Ueq, Uanis(F30) \\sim Ueq, Uanis(F31) \\sim Ueq, Uanis(F32) \\sim Ueq,
Uanis(F33) \\sim Ueq, Uanis(F34) \\sim Ueq, Uanis(F35) \\sim Ueq, Uanis(F36)
\\sim Ueq, Uanis(F37) \\sim Ueq, Uanis(F38) \\sim Ueq, Uanis(F39) \\sim Ueq,
Uanis(F40) \\sim Ueq, Uanis(F41) \\sim Ueq, Uanis(F42) \\sim Ueq, Uanis(F43)
\\sim Ueq, Uanis(F44) \\sim Ueq, Uanis(F45) \\sim Ueq, Uanis(F46) \\sim Ueq,
Uanis(F47) \\sim Ueq, Uanis(F48) \\sim Ueq, Uanis(F49) \\sim Ueq, Uanis(F50)
\\sim Ueq, Uanis(F51) \\sim Ueq, Uanis(F52) \\sim Ueq, Uanis(F53) \\sim Ueq,
Uanis(F54) \\sim Ueq, Uanis(F1') \\sim Ueq, Uanis(F2') \\sim Ueq, Uanis(F3')
\\sim Ueq, Uanis(F4') \\sim Ueq, Uanis(F5') \\sim Ueq, Uanis(F6') \\sim Ueq,
Uanis(F7') \\sim Ueq, Uanis(F8') \\sim Ueq, Uanis(F9') \\sim Ueq, Uanis(F10')
\\sim Ueq, Uanis(F11') \\sim Ueq, Uanis(F12') \\sim Ueq, Uanis(F13') \\sim Ueq,
Uanis(F14') \\sim Ueq, Uanis(F15') \\sim Ueq, Uanis(F16') \\sim Ueq,
Uanis(F17') \\sim Ueq, Uanis(F18') \\sim Ueq, Uanis(F19') \\sim Ueq,
Uanis(F20') \\sim Ueq, Uanis(F21') \\sim Ueq, Uanis(F22') \\sim Ueq,
Uanis(F23') \\sim Ueq, Uanis(F24') \\sim Ueq, Uanis(F25') \\sim Ueq,
Uanis(F26') \\sim Ueq, Uanis(F27') \\sim Ueq, Uanis(F28') \\sim Ueq,
Uanis(F29') \\sim Ueq, Uanis(F30') \\sim Ueq, Uanis(F31') \\sim Ueq,
Uanis(F32') \\sim Ueq, Uanis(F33') \\sim Ueq, Uanis(F34') \\sim Ueq,
Uanis(F35') \\sim Ueq, Uanis(F36') \\sim Ueq, Uanis(F37') \\sim Ueq,
Uanis(F38') \\sim Ueq, Uanis(F39') \\sim Ueq, Uanis(F40') \\sim Ueq,
Uanis(F41') \\sim Ueq, Uanis(F42') \\sim Ueq, Uanis(F43') \\sim Ueq,
Uanis(F44') \\sim Ueq, Uanis(F45') \\sim Ueq, Uanis(F46') \\sim Ueq,
Uanis(F47') \\sim Ueq, Uanis(F48') \\sim Ueq, Uanis(F49') \\sim Ueq,
Uanis(F50') \\sim Ueq, Uanis(F51') \\sim Ueq, Uanis(F52') \\sim Ueq,
Uanis(F53') \\sim Ueq, Uanis(F54') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F47) \\sim Ueq, Uanis(F48) \\sim Ueq, Uanis(F46') \\sim Ueq, Uanis(F47')
\\sim Ueq, Uanis(F50') \\sim Ueq, Uanis(F49) \\sim Ueq, Uanis(F51') \\sim Ueq,
Uanis(F13) \\sim Ueq, Uanis(F14') \\sim Ueq, Uanis(F15) \\sim Ueq, Uanis(F14)
\\sim Ueq, Uanis(F13') \\sim Ueq, Uanis(F31) \\sim Ueq, Uanis(F32) \\sim Ueq,
Uanis(F36) \\sim Ueq, Uanis(F19') \\sim Ueq, Uanis(F9') \\sim Ueq, Uanis(F16')
\\sim Ueq, Uanis(F18) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(C68) \\sim Ueq, Uanis(C64) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C65)
\\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C48) \\sim Ueq,
Uanis(C53) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C8)
\\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C69) \\sim Ueq,
Uanis(C28) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C42)
\\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C45) \\sim Ueq,
Uanis(C34) \\sim Ueq, Uanis(C33) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F1) = Uanis(F1')
Uanis(F2) = Uanis(F2')
Uanis(F3) = Uanis(F3')
Uanis(F4) = Uanis(F4')
Uanis(F5) = Uanis(F5')
Uanis(F6) = Uanis(F6')
Uanis(F7) = Uanis(F7')
Uanis(F8) = Uanis(F8')
Uanis(F9) = Uanis(F9')
Uanis(F10) = Uanis(F10')
Uanis(F11) = Uanis(F11')
Uanis(F12) = Uanis(F12')
Uanis(F13) = Uanis(F13')
Uanis(F14) = Uanis(F14')
Uanis(F15) = Uanis(F15')
Uanis(F16) = Uanis(F16')
Uanis(F17) = Uanis(F17')
Uanis(F18) = Uanis(F18')
Uanis(F19) = Uanis(F19')
Uanis(F20) = Uanis(F20')
Uanis(F21) = Uanis(F21')
Uanis(F22) = Uanis(F22')
Uanis(F23) = Uanis(F23')
Uanis(F24) = Uanis(F24')
Uanis(F25) = Uanis(F25')
Uanis(F26) = Uanis(F26')
Uanis(F27) = Uanis(F27')
Uanis(F28) = Uanis(F28')
Uanis(F29) = Uanis(F29')
Uanis(F30) = Uanis(F30')
Uanis(F31) = Uanis(F31')
Uanis(F32) = Uanis(F32')
Uanis(F33) = Uanis(F33')
Uanis(F34) = Uanis(F34')
Uanis(F35) = Uanis(F35')
Uanis(F36) = Uanis(F36')
Uanis(F37) = Uanis(F37')
Uanis(F38) = Uanis(F38')
Uanis(F39) = Uanis(F39')
Uanis(F40) = Uanis(F40')
Uanis(F41) = Uanis(F41')
Uanis(F42) = Uanis(F42')
Uanis(F43) = Uanis(F43')
Uanis(F44) = Uanis(F44')
Uanis(F45) = Uanis(F45')
Uanis(F51) = Uanis(F51')
Uanis(F48) = Uanis(F48')
6. Others
 Fixed Sof: F1(0.5) F2(0.5) F3(0.5) F4(0.5) F5(0.5) F6(0.5) F7(0.5) F8(0.5)
 F9(0.5) F10(0.5) F11(0.5) F12(0.5) F13(0.5) F14(0.5) F15(0.5) F16(0.5)
 F17(0.5) F18(0.5) F19(0.5) F20(0.5) F21(0.5) F22(0.5) F23(0.5) F24(0.5)
 F25(0.5) F26(0.5) F27(0.5) F28(0.5) F29(0.5) F30(0.5) F31(0.5) F32(0.5)
 F33(0.5) F34(0.5) F35(0.5) F36(0.5) F37(0.5) F38(0.5) F39(0.5) F40(0.5)
 F41(0.5) F42(0.5) F43(0.5) F44(0.5) F45(0.5) F46(0.5) F47(0.5) F48(0.5)
 F49(0.5) F50(0.5) F51(0.5) F52(0.5) F53(0.5) F54(0.5) F1'(0.5) F2'(0.5)
 F3'(0.5) F4'(0.5) F5'(0.5) F6'(0.5) F7'(0.5) F8'(0.5) F9'(0.5) F10'(0.5)
 F11'(0.5) F12'(0.5) F13'(0.5) F14'(0.5) F15'(0.5) F16'(0.5) F17'(0.5)
 F18'(0.5) F19'(0.5) F20'(0.5) F21'(0.5) F22'(0.5) F23'(0.5) F24'(0.5)
 F25'(0.5) F26'(0.5) F27'(0.5) F28'(0.5) F29'(0.5) F30'(0.5) F31'(0.5)
 F32'(0.5) F33'(0.5) F34'(0.5) F35'(0.5) F36'(0.5) F37'(0.5) F38'(0.5)
 F39'(0.5) F40'(0.5) F41'(0.5) F42'(0.5) F43'(0.5) F44'(0.5) F45'(0.5)
 F46'(0.5) F47'(0.5) F48'(0.5) F49'(0.5) F50'(0.5) F51'(0.5) F52'(0.5)
 F53'(0.5) F54'(0.5)
7.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C13(H13), C18(H18), C23(H23), C28(H28), C33(H33), C38(H38),
 C43(H43), C51(H51), C52(H52), C53(H53), C55(H55), C56(H56), C57(H57), C65(H65),
  C66(H66), C67(H67), C69(H69), C70(H70), C71(H71), C85(H85), C84(H84),
 C83(H83), C81(H81), C80(H80), C79(H79)
7.b Idealised Me refined as rotating group:
 C54(H54A,H54B,H54C), C59(H59A,H59B,H59C), C68(H68A,H68B,H68C), C73(H73A,H73B,
 H73C), C87(H87A,H87B,H87C), C82(H82A,H82B,H82C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.50062(4) 0.49996(4) 0.49982(4) 0.02622(13) Uani 1 1 d . . . . .
Ag2 Ag 0.72498(4) 0.42317(4) 0.58819(4) 0.02702(14) Uani 1 1 d . . . . .
Ag3 Ag 0.47708(5) 0.35341(4) 0.67768(4) 0.02855(14) Uani 1 1 d . . . . .
Ag4 Ag 0.88711(4) 0.15916(4) 0.19618(4) 0.02614(13) Uani 1 1 d . . . . .
Ag5 Ag 1.08852(4) 0.05768(4) 0.30460(4) 0.02844(14) Uani 1 1 d . . . . .
Ag6 Ag 0.86256(5) -0.02057(4) 0.34901(4) 0.02871(14) Uani 1 1 d . . . . .
Ag7 Ag 1.22337(5) -0.14503(4) -0.15380(4) 0.03068(15) Uani 1 1 d . . . . .
Ag8 Ag 1.45612(5) -0.25263(4) -0.08011(4) 0.02977(14) Uani 1 1 d . . . . .
Ag9 Ag 1.21751(5) -0.32576(4) -0.00108(4) 0.03029(14) Uani 1 1 d . . . . .
S1 S 0.33370(19) 0.69733(14) 0.65120(15) 0.0352(5) Uani 1 1 d . . . . .
S2 S 0.6389(2) 0.14772(14) 0.52681(16) 0.0381(6) Uani 1 1 d . . . . .
S3 S 1.30700(17) -0.09531(15) 0.10966(16) 0.0363(5) Uani 1 1 d . . . . .
F1 F 0.4821(4) 0.6616(7) 0.3756(6) 0.066(3) Uani 0.5 1 d D U P A 1
F2 F 0.6179(7) 0.6990(4) 0.2675(5) 0.072(2) Uani 0.5 1 d D U P A 1
F3 F 0.6084(6) 0.5663(4) 0.2561(4) 0.0550(18) Uani 0.5 1 d D U P A 1
F4 F 1.0209(5) 0.5387(4) 0.3556(5) 0.057(2) Uani 0.5 1 d D U P B 1
F5 F 0.9269(5) 0.5360(6) 0.5034(4) 0.063(3) Uani 0.5 1 d D U P B 1
F6 F 1.0092(6) 0.4114(4) 0.4138(7) 0.073(3) Uani 0.5 1 d D U P B 1
F7 F 0.9396(6) 0.3225(6) 0.6611(4) 0.073(3) Uani 0.5 1 d D U P C 1
F8 F 0.8279(6) 0.4139(4) 0.7861(6) 0.086(3) Uani 0.5 1 d D U P C 1
F9 F 0.9253(5) 0.2705(6) 0.7966(4) 0.073(3) Uani 0.5 1 d D U P C 1
F10 F 0.5251(5) 0.1571(4) 0.7980(4) 0.057(2) Uani 0.5 1 d D U P D 1
F11 F 0.5421(6) 0.1658(5) 0.9270(4) 0.065(2) Uani 0.5 1 d D U P D 1
F12 F 0.4081(5) 0.2792(5) 0.8926(7) 0.068(3) Uani 0.5 1 d D U P D 1
F13 F 0.2716(5) 0.2881(6) 0.7646(4) 0.070(3) Uani 0.5 1 d D U P E 1
F14 F 0.0921(6) 0.3730(6) 0.7785(5) 0.086(3) Uani 0.5 1 d D U P E 1
F15 F 0.1960(6) 0.2534(3) 0.6811(5) 0.067(2) Uani 0.5 1 d D U P E 1
F16 F 0.2763(6) 0.6153(3) 0.4583(6) 0.077(3) Uani 0.5 1 d D U P F 1
F17 F 0.1260(4) 0.5897(6) 0.4707(5) 0.070(3) Uani 0.5 1 d D U P F 1
F18 F 0.3061(8) 0.5074(6) 0.3680(4) 0.077(4) Uani 0.5 1 d D U P F 1
F19 F 1.0174(6) 0.4007(4) 0.0312(5) 0.075(3) Uani 0.5 1 d D U P G 1
F20 F 0.9247(5) 0.3109(4) 0.0506(4) 0.072(2) Uani 0.5 1 d D U P G 1
F21 F 0.8562(6) 0.4195(5) 0.1559(6) 0.064(3) Uani 0.5 1 d D U P G 1
F22 F 1.2367(7) 0.1597(6) 0.3214(4) 0.087(4) Uani 0.5 1 d D U P H 1
F23 F 1.3636(5) 0.1141(5) 0.1802(6) 0.088(3) Uani 0.5 1 d D U P H 1
F24 F 1.3027(5) 0.2555(4) 0.2336(6) 0.091(3) Uani 0.5 1 d D U P H 1
F25 F 1.3167(5) -0.1514(5) 0.4672(5) 0.062(2) Uani 0.5 1 d D U P I 1
F26 F 1.3042(6) -0.0593(5) 0.3569(4) 0.064(2) Uani 0.5 1 d D U P I 1
F27 F 1.2026(6) -0.0053(4) 0.5006(5) 0.077(2) Uani 0.5 1 d D U P I 1
F28 F 0.7864(4) -0.1261(5) 0.5456(7) 0.0604(19) Uani 0.5 1 d D U P J 1
F29 F 0.9139(7) -0.2400(5) 0.5854(4) 0.068(2) Uani 0.5 1 d D U P J 1
F30 F 0.9164(6) -0.2456(4) 0.4490(4) 0.0655(19) Uani 0.5 1 d D U P J 1
F31 F 0.6275(7) -0.0581(5) 0.4189(3) 0.069(3) Uani 0.5 1 d D U P K 1
F32 F 0.5342(4) -0.0690(5) 0.3413(6) 0.080(3) Uani 0.5 1 d D U P K 1
F33 F 0.7242(7) -0.1568(3) 0.2999(6) 0.059(3) Uani 0.5 1 d D U P K 1
F34 F 0.5780(4) 0.2051(7) 0.0877(5) 0.092(4) Uani 0.5 1 d D U P L 1
F35 F 0.7023(6) 0.2497(3) 0.1050(6) 0.065(2) Uani 0.5 1 d D U P L 1
F36 F 0.7701(7) 0.1326(6) 0.0104(4) 0.075(3) Uani 0.5 1 d D U P L 1
F37 F 1.3696(7) 0.0537(5) -0.3849(4) 0.090(3) Uani 0.5 1 d D U P M 1
F38 F 1.2898(5) -0.0465(4) -0.3501(4) 0.073(2) Uani 0.5 1 d D U P M 1
F39 F 1.2127(6) 0.0734(5) -0.2559(5) 0.069(3) Uani 0.5 1 d D U P M 1
F40 F 1.7071(5) -0.0776(4) -0.2230(7) 0.085(3) Uani 0.5 1 d D U P N 1
F41 F 1.6195(6) -0.1361(7) -0.0985(3) 0.064(2) Uani 0.5 1 d D U P N 1
F42 F 1.7322(6) -0.2205(4) -0.2288(6) 0.062(2) Uani 0.5 1 d D U P N 1
F43 F 1.7101(6) -0.3945(6) -0.0887(4) 0.073(3) Uani 0.5 1 d D U P O 1
F44 F 1.6431(6) -0.3397(4) 0.0514(5) 0.066(2) Uani 0.5 1 d D U P O 1
F45 F 1.7501(5) -0.4864(5) 0.0150(6) 0.074(2) Uani 0.5 1 d D U P O 1
F46 F 1.3679(7) -0.6090(4) 0.0612(5) 0.069(4) Uani 0.5 1 d D U P P 1
F47 F 1.2139(4) -0.4816(5) 0.1242(6) 0.070(4) Uani 0.5 1 d D U P P 1
F48 F 1.3206(7) -0.5591(5) 0.2003(4) 0.073(2) Uani 0.5 1 d D U P P 1
F49 F 0.8514(4) -0.3494(4) 0.0459(6) 0.086(4) Uani 0.5 1 d D U P Q 1
F50 F 1.0177(6) -0.3948(4) 0.0633(6) 0.074(4) Uani 0.5 1 d D U P Q 1
F51 F 0.8619(8) -0.2790(6) 0.1494(4) 0.089(4) Uani 0.5 1 d D U P Q 1
F52 F 0.8267(4) -0.0257(7) -0.1584(6) 0.090(5) Uani 0.5 1 d D U P R 1
F53 F 1.0115(9) -0.0911(6) -0.2595(4) 0.089(5) Uani 0.5 1 d D U P R 1
F54 F 0.9651(5) 0.0065(3) -0.1507(5) 0.075(4) Uani 0.5 1 d D U P R 1
F1' F 0.4921(5) 0.6894(6) 0.3687(6) 0.066(3) Uani 0.5 1 d D U P A 2
F2' F 0.6491(6) 0.6697(5) 0.2393(4) 0.072(2) Uani 0.5 1 d D U P A 2
F3' F 0.5784(5) 0.5631(4) 0.2819(4) 0.0550(18) Uani 0.5 1 d D U P A 2
F4' F 0.9964(5) 0.5659(4) 0.3841(6) 0.057(2) Uani 0.5 1 d D U P B 2
F5' F 0.9347(6) 0.4959(7) 0.5076(3) 0.063(3) Uani 0.5 1 d D U P B 2
F6' F 1.0316(6) 0.4213(4) 0.3723(6) 0.073(3) Uani 0.5 1 d D U P B 2
F7' F 0.9053(6) 0.3652(5) 0.6687(4) 0.073(3) Uani 0.5 1 d D U P C 2
F8' F 0.8373(6) 0.3867(4) 0.8170(4) 0.086(3) Uani 0.5 1 d D U P C 2
F9' F 0.9563(5) 0.2489(5) 0.7492(6) 0.073(3) Uani 0.5 1 d D U P C 2
F10' F 0.4942(5) 0.1843(4) 0.7964(4) 0.057(2) Uani 0.5 1 d D U P D 2
F11' F 0.5695(6) 0.1387(4) 0.8991(5) 0.065(2) Uani 0.5 1 d D U P D 2
F12' F 0.4195(5) 0.2722(5) 0.9210(5) 0.068(3) Uani 0.5 1 d D U P D 2
F13' F 0.3112(5) 0.2465(5) 0.7172(5) 0.070(3) Uani 0.5 1 d D U P E 2
F14' F 0.1397(8) 0.3574(6) 0.7977(4) 0.086(3) Uani 0.5 1 d D U P E 2
F15' F 0.1571(5) 0.2754(4) 0.6885(5) 0.067(2) Uani 0.5 1 d D U P E 2
F16' F 0.3416(5) 0.5586(5) 0.4004(5) 0.077(3) Uani 0.5 1 d D U P F 2
F17' F 0.1441(6) 0.6164(4) 0.4791(6) 0.070(3) Uani 0.5 1 d D U P F 2
F18' F 0.2358(6) 0.4930(5) 0.3883(4) 0.077(4) Uani 0.5 1 d D U P F 2
F19' F 1.0267(6) 0.3667(5) 0.0075(4) 0.075(3) Uani 0.5 1 d D U P G 2
F20' F 0.8799(4) 0.3258(4) 0.0892(5) 0.072(2) Uani 0.5 1 d D U P G 2
F21' F 0.8907(7) 0.4393(4) 0.1428(7) 0.064(3) Uani 0.5 1 d D U P G 2
F22' F 1.2295(6) 0.2176(6) 0.3222(4) 0.087(4) Uani 0.5 1 d D U P H 2
F23' F 1.3226(6) 0.0938(4) 0.2305(7) 0.088(3) Uani 0.5 1 d D U P H 2
F24' F 1.3536(5) 0.2167(5) 0.1802(6) 0.091(3) Uani 0.5 1 d D U P H 2
F25' F 1.2949(5) -0.1362(5) 0.4930(4) 0.062(2) Uani 0.5 1 d D U P I 2
F26' F 1.3254(5) -0.0903(6) 0.3539(4) 0.064(2) Uani 0.5 1 d D U P I 2
F27' F 1.2069(6) 0.0085(3) 0.4727(6) 0.077(2) Uani 0.5 1 d D U P I 2
F28' F 0.7864(4) -0.1261(5) 0.5456(7) 0.0604(19) Uani 0.5 1 d D U P J 2
F29' F 0.9139(7) -0.2400(5) 0.5854(4) 0.068(2) Uani 0.5 1 d D U P J 2
F30' F 0.9164(6) -0.2456(4) 0.4490(4) 0.0655(19) Uani 0.5 1 d D U P J 2
F31' F 0.5675(7) -0.0436(5) 0.4171(4) 0.069(3) Uani 0.5 1 d D U P K 2
F32' F 0.5861(5) -0.1072(4) 0.2944(5) 0.080(3) Uani 0.5 1 d D U P K 2
F33' F 0.7388(5) -0.1464(4) 0.3273(6) 0.059(3) Uani 0.5 1 d D U P K 2
F34' F 0.5691(5) 0.2384(6) 0.1158(6) 0.092(4) Uani 0.5 1 d D U P L 2
F35' F 0.7477(5) 0.2265(4) 0.0829(6) 0.065(2) Uani 0.5 1 d D U P L 2
F36' F 0.7236(8) 0.1315(5) 0.0128(3) 0.075(3) Uani 0.5 1 d D U P L 2
F37' F 1.3780(7) 0.0332(6) -0.3977(4) 0.090(3) Uani 0.5 1 d D U P M 2
F38' F 1.2641(5) -0.0404(4) -0.3279(5) 0.073(2) Uani 0.5 1 d D U P M 2
F39' F 1.2280(6) 0.0877(4) -0.2638(6) 0.069(3) Uani 0.5 1 d D U P M 2
F40' F 1.7268(5) -0.0968(4) -0.2444(6) 0.085(3) Uani 0.5 1 d D U P N 2
F41' F 1.6178(6) -0.1105(6) -0.1016(3) 0.064(2) Uani 0.5 1 d D U P N 2
F42' F 1.7144(6) -0.2274(4) -0.2042(6) 0.062(2) Uani 0.5 1 d D U P N 2
F43' F 1.7344(6) -0.4286(7) -0.0898(4) 0.073(3) Uani 0.5 1 d D U P O 2
F44' F 1.6393(6) -0.3255(3) 0.0253(6) 0.066(2) Uani 0.5 1 d D U P O 2
F45' F 1.7294(5) -0.4686(6) 0.0468(4) 0.074(2) Uani 0.5 1 d D U P O 2
F46' F 1.3272(6) -0.5816(4) 0.0543(4) 0.068(4) Uani 0.5 1 d D U P P 2
F47' F 1.2117(5) -0.4744(6) 0.1668(7) 0.094(5) Uani 0.5 1 d D U P P 2
F48' F 1.3625(7) -0.5911(5) 0.1772(4) 0.073(2) Uani 0.5 1 d D U P P 2
F49' F 0.8950(5) -0.3766(4) 0.0259(5) 0.054(3) Uani 0.5 1 d D U P Q 2
F50' F 1.0101(5) -0.3746(5) 0.0884(5) 0.061(3) Uani 0.5 1 d D U P Q 2
F51' F 0.8258(7) -0.2753(6) 0.1390(5) 0.089(4) Uani 0.5 1 d D U P Q 2
F52' F 0.8226(5) -0.0068(5) -0.1360(6) 0.070(4) Uani 0.5 1 d D U P R 2
F53' F 0.9696(7) -0.0958(5) -0.2549(3) 0.067(4) Uani 0.5 1 d D U P R 2
F54' F 1.0011(6) -0.0110(4) -0.1786(6) 0.065(4) Uani 0.5 1 d D U P R 2
N1 N 0.6531(5) 0.5366(4) 0.4382(4) 0.0220(14) Uani 1 1 d . . . . .
N2 N 0.7428(5) 0.5021(4) 0.4709(5) 0.0266(16) Uani 1 1 d . . . . .
N3 N 0.6971(5) 0.3430(4) 0.7069(5) 0.0267(15) Uani 1 1 d . . . . .
N4 N 0.6066(5) 0.3118(4) 0.7364(4) 0.0268(15) Uani 1 1 d . . . . .
N5 N 0.3459(6) 0.3981(4) 0.6229(6) 0.0391(19) Uani 1 1 d . . . . .
N6 N 0.3548(5) 0.4598(4) 0.5534(4) 0.0277(15) Uani 1 1 d . . . . .
N7 N 1.0161(5) 0.2150(4) 0.1828(5) 0.0302(16) Uani 1 1 d . . . . .
N8 N 1.0991(5) 0.1707(4) 0.2205(5) 0.0287(15) Uani 1 1 d . . . . .
N9 N 1.0759(5) -0.0494(4) 0.3965(5) 0.0248(16) Uani 1 1 d . . . . .
N10 N 0.9791(5) -0.0757(4) 0.4156(5) 0.0318(18) Uani 1 1 d . . . . .
N11 N 0.7502(5) 0.0309(4) 0.2770(4) 0.0240(15) Uani 1 1 d . . . . .
N12 N 0.7627(5) 0.1011(4) 0.2149(4) 0.0244(15) Uani 1 1 d . U . . .
N13 N 1.3738(5) -0.1054(4) -0.2057(4) 0.0253(16) Uani 1 1 d . . . . .
N14 N 1.4593(5) -0.1437(4) -0.1711(5) 0.0311(17) Uani 1 1 d . . . . .
N15 N 1.4608(6) -0.3693(4) 0.0020(5) 0.0319(17) Uani 1 1 d . . . . .
N16 N 1.3696(5) -0.3975(4) 0.0317(5) 0.0301(16) Uani 1 1 d . . . . .
N17 N 1.0682(5) -0.2509(4) -0.0390(4) 0.0262(15) Uani 1 1 d . U . . .
N18 N 1.0730(5) -0.1807(4) -0.0992(5) 0.0304(16) Uani 1 1 d . U . . .
C1 C 0.6010(5) 0.6268(3) 0.3136(4) 0.043(2) Uani 1 1 d D . . . .
C2 C 0.6824(3) 0.5827(3) 0.3629(3) 0.0318(19) Uani 1 1 d D . . . .
C3 C 0.8000(7) 0.5799(5) 0.3394(6) 0.034(2) Uani 1 1 d . . . . .
H3 H 0.845805 0.606123 0.288136 0.041 Uiso 1 1 calc R . . . .
C4 C 0.8318(3) 0.5296(4) 0.4090(3) 0.0306(19) Uani 1 1 d D . . . .
C5 C 0.9466(5) 0.5038(3) 0.4196(4) 0.043(2) Uani 1 1 d D . . . .
C6 C 0.8628(6) 0.3265(4) 0.7496(4) 0.047(3) Uani 1 1 d D . . . .
C7 C 0.7575(3) 0.3083(3) 0.7601(4) 0.038(2) Uani 1 1 d D . . . .
C8 C 0.7093(8) 0.2498(6) 0.8274(6) 0.040(2) Uani 1 1 d . U . . .
H8 H 0.736542 0.214975 0.872903 0.048 Uiso 1 1 calc R . . . .
C9 C 0.6118(3) 0.2576(3) 0.8080(4) 0.032(2) Uani 1 1 d D . . . .
C10 C 0.5216(5) 0.2138(4) 0.8568(3) 0.038(2) Uani 1 1 d D . . . .
C11 C 0.2096(4) 0.3205(4) 0.7123(4) 0.061(3) Uani 1 1 d D . . . .
C12 C 0.2497(4) 0.3823(3) 0.6415(3) 0.040(2) Uani 1 1 d D . . . .
C13 C 0.1883(7) 0.4303(6) 0.5828(7) 0.047(2) Uani 1 1 d . U . . .
H13 H 0.117250 0.429808 0.581096 0.056 Uiso 1 1 calc R . . . .
C14 C 0.2611(4) 0.4790(3) 0.5277(3) 0.0307(19) Uani 1 1 d D . . . .
C15 C 0.2444(4) 0.5423(4) 0.4527(4) 0.046(3) Uani 1 1 d D . . . .
C16 C 0.9584(4) 0.3548(4) 0.0951(4) 0.041(2) Uani 1 1 d D . . . .
C17 C 1.0339(4) 0.2892(3) 0.1421(3) 0.031(2) Uani 1 1 d D . . . .
C18 C 1.1322(6) 0.2950(5) 0.1526(6) 0.035(2) Uani 1 1 d . . . . .
H18 H 1.166734 0.340184 0.130570 0.042 Uiso 1 1 calc R . . . .
C19 C 1.1659(3) 0.2178(4) 0.2036(3) 0.036(2) Uani 1 1 d D . . . .
C20 C 1.2664(5) 0.1876(3) 0.2334(4) 0.048(3) Uani 1 1 d D . . . .
C21 C 1.2393(5) -0.0789(4) 0.4422(4) 0.045(2) Uani 1 1 d D . . . .
C22 C 1.1363(3) -0.0965(3) 0.4458(4) 0.033(2) Uani 1 1 d D . . . .
C23 C 1.0870(7) -0.1582(6) 0.5010(6) 0.036(2) Uani 1 1 d . . . . .
H23 H 1.112874 -0.199619 0.543950 0.043 Uiso 1 1 calc R . . . .
C24 C 0.9903(3) -0.1437(3) 0.4771(4) 0.0271(19) Uani 1 1 d D . . . .
C25 C 0.9037(5) -0.1876(4) 0.5135(3) 0.033(2) Uani 1 1 d D . . . .
C26 C 0.6400(4) -0.0713(4) 0.3296(4) 0.052(3) Uani 1 1 d D . . . .
C27 C 0.6724(4) 0.0019(3) 0.2708(4) 0.041(3) Uani 1 1 d D . . . .
C28 C 0.6272(6) 0.0527(6) 0.2054(6) 0.040(2) Uani 1 1 d . U . . .
H28 H 0.567672 0.048323 0.188837 0.048 Uiso 1 1 calc R . . . .
C29 C 0.6897(4) 0.1106(3) 0.1708(3) 0.031(2) Uani 1 1 d D . . . .
C30 C 0.6825(4) 0.1757(4) 0.0955(4) 0.037(2) Uani 1 1 d D . . . .
C31 C 1.3182(5) 0.0088(4) -0.3132(4) 0.053(3) Uani 1 1 d D . . . .
C32 C 1.3998(3) -0.0433(4) -0.2662(3) 0.034(2) Uani 1 1 d D . . . .
C33 C 1.5095(8) -0.0424(6) -0.2750(7) 0.045(3) Uani 1 1 d . U . . .
H33 H 1.551431 -0.006009 -0.314248 0.054 Uiso 1 1 calc R . . . .
C34 C 1.5426(3) -0.1064(4) -0.2138(3) 0.042(2) Uani 1 1 d D U . . .
C35 C 1.6494(5) -0.1344(4) -0.1913(4) 0.049(2) Uani 1 1 d D . . . .
C36 C 1.6625(6) -0.4132(4) 0.0019(4) 0.055(3) Uani 1 1 d D . . . .
C37 C 1.5515(3) -0.4294(3) 0.0255(4) 0.041(2) Uani 1 1 d D . . . .
C38 C 1.5184(9) -0.5008(6) 0.0724(7) 0.051(3) Uani 1 1 d . . . . .
H38 H 1.564041 -0.552970 0.097189 0.062 Uiso 1 1 calc R . . . .
C39 C 1.4063(3) -0.4793(3) 0.0749(4) 0.052(3) Uani 1 1 d D . . . .
C40 C 1.3282(5) -0.5316(4) 0.1163(4) 0.051(3) Uani 1 1 d D . . . .
C41 C 0.9233(4) -0.3186(4) 0.0608(4) 0.055(3) Uani 1 1 d D . . . .
C42 C 0.9593(4) -0.2537(3) -0.0079(3) 0.045(2) Uani 1 1 d D U . . .
C43 C 0.8875(7) -0.1831(7) -0.0503(7) 0.051(3) Uani 1 1 d . U . . .
H43 H 0.806290 -0.168685 -0.041858 0.061 Uiso 1 1 calc R . . . .
C44 C 0.9655(5) -0.1410(3) -0.1068(3) 0.042(2) Uani 1 1 d D U . . .
C45 C 0.9414(4) -0.0631(4) -0.1691(4) 0.057(3) Uani 1 1 d D U . . .
C54 C 0.0895(9) 0.6595(7) 0.7211(8) 0.058(3) Uani 1 1 d . . . . .
H54A H 0.060669 0.727483 0.732530 0.087 Uiso 1 1 calc GR . . . .
H54B H 0.020253 0.641173 0.750967 0.087 Uiso 1 1 calc GR . . . .
H54C H 0.127577 0.642964 0.653084 0.087 Uiso 1 1 calc GR . . . .
C49 C 0.2868(7) 0.6227(5) 0.7373(6) 0.034(2) Uani 1 1 d . . . . .
C50 C 0.1792(7) 0.6101(5) 0.7610(6) 0.037(2) Uani 1 1 d . . . . .
C51 C 0.1587(8) 0.5474(6) 0.8308(7) 0.047(3) Uani 1 1 d . . . . .
H51 H 0.085445 0.537874 0.851399 0.057 Uiso 1 1 calc R . . . .
C52 C 0.2412(8) 0.4979(6) 0.8717(6) 0.043(2) Uani 1 1 d . . . . .
H52 H 0.224946 0.454762 0.917699 0.051 Uiso 1 1 calc R . . . .
C53 C 0.3469(8) 0.5131(6) 0.8436(7) 0.039(2) Uani 1 1 d . U . . .
H53 H 0.403870 0.479259 0.870141 0.047 Uiso 1 1 calc R . . . .
C48 C 0.3708(7) 0.5761(5) 0.7783(6) 0.0304(19) Uani 1 1 d . U . . .
C47 C 0.4728(7) 0.6007(5) 0.7413(5) 0.029(2) Uani 1 1 d . U . . .
C55 C 0.5743(9) 0.5739(6) 0.7635(7) 0.049(3) Uani 1 1 d . . . . .
H55 H 0.582165 0.531457 0.810965 0.059 Uiso 1 1 calc R . . . .
C56 C 0.6611(8) 0.6081(6) 0.7177(7) 0.047(3) Uani 1 1 d . . . . .
H56 H 0.729453 0.587770 0.733323 0.056 Uiso 1 1 calc R . . . .
C57 C 0.6544(8) 0.6721(6) 0.6486(6) 0.041(2) Uani 1 1 d . . . . .
H57 H 0.717229 0.694392 0.618920 0.049 Uiso 1 1 calc R . . . .
C58 C 0.5580(8) 0.7030(6) 0.6231(6) 0.039(2) Uani 1 1 d . . . . .
C46 C 0.4680(7) 0.6668(5) 0.6696(6) 0.033(2) Uani 1 1 d . . . . .
C59 C 0.5473(8) 0.7698(6) 0.5475(7) 0.043(2) Uani 1 1 d . . . . .
H59A H 0.623321 0.779217 0.515030 0.064 Uiso 1 1 calc GR . . . .
H59B H 0.479298 0.830242 0.576024 0.064 Uiso 1 1 calc GR . . . .
H59C H 0.532348 0.743519 0.502021 0.064 Uiso 1 1 calc GR . . . .
C68 C 0.8123(10) 0.0638(7) 0.6359(8) 0.064(3) Uani 1 1 d . U . . .
H68A H 0.724523 0.083987 0.674501 0.095 Uiso 1 1 calc GR . . . .
H68B H 0.854059 0.059686 0.676345 0.095 Uiso 1 1 calc GR . . . .
H68C H 0.844520 0.002073 0.603544 0.095 Uiso 1 1 calc GR . . . .
C63 C 0.7614(8) 0.1730(6) 0.5151(6) 0.039(2) Uani 1 1 d . U . . .
C64 C 0.8333(8) 0.1337(6) 0.5644(6) 0.044(3) Uani 1 1 d . U . . .
C65 C 0.9299(9) 0.1621(7) 0.5451(8) 0.059(3) Uani 1 1 d . U . . .
H65 H 0.979955 0.136699 0.578879 0.071 Uiso 1 1 calc R . . . .
C66 C 0.9534(9) 0.2247(7) 0.4798(7) 0.056(3) Uani 1 1 d . U . . .
H66 H 1.019451 0.241701 0.467620 0.067 Uiso 1 1 calc R . . . .
C67 C 0.8777(8) 0.2637(7) 0.4309(6) 0.044(3) Uani 1 1 d . U . . .
H67 H 0.892206 0.308139 0.386000 0.053 Uiso 1 1 calc R . . . .
C62 C 0.7810(7) 0.2376(6) 0.4478(6) 0.036(2) Uani 1 1 d . . . . .
C61 C 0.6933(7) 0.2684(5) 0.4075(6) 0.033(2) Uani 1 1 d . U . . .
C69 C 0.6821(8) 0.3333(6) 0.3376(6) 0.040(2) Uani 1 1 d . U . . .
H69 H 0.735854 0.364581 0.312173 0.048 Uiso 1 1 calc R . . . .
C70 C 0.5901(9) 0.3502(6) 0.3071(7) 0.050(3) Uani 1 1 d . . . . .
H70 H 0.581614 0.393378 0.260307 0.061 Uiso 1 1 calc R . . . .
C71 C 0.5131(8) 0.3061(6) 0.3429(7) 0.045(3) Uani 1 1 d . . . . .
H71 H 0.451508 0.320438 0.320406 0.054 Uiso 1 1 calc R . . . .
C72 C 0.5186(8) 0.2432(6) 0.4085(6) 0.040(2) Uani 1 1 d . U . . .
C60 C 0.6143(7) 0.2234(5) 0.4408(6) 0.035(2) Uani 1 1 d . . . . .
C73 C 0.4341(9) 0.1935(7) 0.4503(8) 0.058(3) Uani 1 1 d . . . . .
H73A H 0.477531 0.127654 0.425214 0.087 Uiso 1 1 calc GR . . . .
H73B H 0.363686 0.224004 0.434020 0.087 Uiso 1 1 calc GR . . . .
H73C H 0.405849 0.196381 0.519052 0.087 Uiso 1 1 calc GR . . . .
C87 C 1.3483(9) 0.0718(8) -0.0171(8) 0.068(3) Uani 1 1 d . . . . .
H87A H 1.420279 0.030063 -0.069620 0.102 Uiso 1 1 calc GR . . . .
H87B H 1.364012 0.062053 0.039874 0.102 Uiso 1 1 calc GR . . . .
H87C H 1.331168 0.137339 -0.032588 0.102 Uiso 1 1 calc GR . . . .
C86 C 1.2396(8) 0.0504(6) -0.0003(7) 0.045(3) Uani 1 1 d . . . . .
C85 C 1.1575(10) 0.0992(6) -0.0413(7) 0.053(3) Uani 1 1 d . U . . .
H85 H 1.169630 0.148635 -0.079597 0.063 Uiso 1 1 calc R . . . .
C84 C 1.0590(9) 0.0788(6) -0.0285(7) 0.050(3) Uani 1 1 d . U . . .
H84 H 1.006444 0.114050 -0.058298 0.059 Uiso 1 1 calc R . . . .
C83 C 1.0361(7) 0.0077(6) 0.0273(6) 0.035(2) Uani 1 1 d . . . . .
H83 H 0.967858 -0.005490 0.037117 0.042 Uiso 1 1 calc R . . . .
C75 C 1.1194(7) -0.0453(6) 0.0695(5) 0.034(2) Uani 1 1 d . . . . .
C74 C 1.2151(7) -0.0224(5) 0.0522(6) 0.033(2) Uani 1 1 d . . . . .
C76 C 1.1145(7) -0.1212(6) 0.1296(6) 0.0296(19) Uani 1 1 d . . . . .
C81 C 1.0289(7) -0.1633(6) 0.1648(7) 0.041(2) Uani 1 1 d . . . . .
H81 H 0.961023 -0.141388 0.148454 0.049 Uiso 1 1 calc R . . . .
C80 C 1.0444(8) -0.2348(6) 0.2219(7) 0.046(3) Uani 1 1 d . . . . .
H80 H 0.986953 -0.262754 0.245331 0.055 Uiso 1 1 calc R . . . .
C79 C 1.1427(8) -0.2677(6) 0.2465(6) 0.045(3) Uani 1 1 d . . . . .
H79 H 1.150104 -0.317620 0.287039 0.054 Uiso 1 1 calc R . . . .
C78 C 1.2275(7) -0.2323(6) 0.2159(6) 0.035(2) Uani 1 1 d . . . . .
C77 C 1.2106(6) -0.1561(5) 0.1567(5) 0.0274(18) Uani 1 1 d . . . . .
C82 C 1.3385(8) -0.2662(7) 0.2402(7) 0.046(3) Uani 1 1 d . . . . .
H82A H 1.374277 -0.335069 0.237179 0.069 Uiso 1 1 calc GR . . . .
H82B H 1.312899 -0.241150 0.303944 0.069 Uiso 1 1 calc GR . . . .
H82C H 1.399260 -0.244167 0.194942 0.069 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.119(6) . ?
Ag1 N6 2.075(6) . ?
Ag2 N2 2.081(7) . ?
Ag2 N3 2.112(6) . ?
Ag3 N4 2.108(7) . ?
Ag3 N5 2.079(8) . ?
Ag4 N7 2.137(7) . ?
Ag4 N12 2.085(7) . ?
Ag5 N8 2.102(7) . ?
Ag5 N9 2.098(6) . ?
Ag6 N10 2.059(8) . ?
Ag6 N11 2.079(7) . ?
Ag7 N13 2.125(6) . ?
Ag7 N18 2.085(6) . ?
Ag8 N14 2.100(7) . ?
Ag8 N15 2.109(7) . ?
Ag9 N16 2.103(7) . ?
Ag9 N17 2.128(6) . ?
S1 C49 1.764(9) . ?
S1 C46 1.772(10) . ?
S2 C63 1.745(11) . ?
S2 C60 1.738(9) . ?
S3 C74 1.769(9) . ?
S3 C77 1.764(8) . ?
F1 C1 1.356(6) . ?
F2 C1 1.319(7) . ?
F3 C1 1.323(8) . ?
F4 C5 1.326(7) . ?
F5 C5 1.339(7) . ?
F6 C5 1.329(7) . ?
F7 C6 1.320(7) . ?
F8 C6 1.357(7) . ?
F9 C6 1.326(7) . ?
F10 C10 1.321(8) . ?
F11 C10 1.320(7) . ?
F12 C10 1.330(6) . ?
F13 C11 1.313(8) . ?
F14 C11 1.396(7) . ?
F15 C11 1.307(8) . ?
F16 C15 1.390(8) . ?
F17 C15 1.339(6) . ?
F18 C15 1.270(7) . ?
F19 C16 1.330(7) . ?
F20 C16 1.329(8) . ?
F21 C16 1.329(7) . ?
F22 C20 1.342(7) . ?
F23 C20 1.330(7) . ?
F24 C20 1.331(7) . ?
F25 C21 1.330(7) . ?
F26 C21 1.334(7) . ?
F27 C21 1.341(7) . ?
F28 C25 1.343(6) . ?
F29 C25 1.339(7) . ?
F30 C25 1.342(7) . ?
F31 C26 1.367(7) . ?
F32 C26 1.312(7) . ?
F33 C26 1.313(7) . ?
F34 C30 1.315(7) . ?
F35 C30 1.321(7) . ?
F36 C30 1.355(6) . ?
F37 C31 1.339(7) . ?
F38 C31 1.332(8) . ?
F39 C31 1.329(7) . ?
F40 C35 1.324(8) . ?
F41 C35 1.337(7) . ?
F42 C35 1.336(7) . ?
F43 C36 1.344(7) . ?
F44 C36 1.333(8) . ?
F45 C36 1.322(7) . ?
F46 C40 1.346(7) . ?
F47 C40 1.339(7) . ?
F48 C40 1.314(7) . ?
F49 C41 1.328(8) . ?
F50 C41 1.336(7) . ?
F51 C41 1.342(7) . ?
F52 C45 1.319(7) . ?
F53 C45 1.326(7) . ?
F54 C45 1.336(7) . ?
F1' C1 1.327(6) . ?
F2' C1 1.328(7) . ?
F3' C1 1.341(8) . ?
F4' C5 1.334(7) . ?
F5' C5 1.317(7) . ?
F6' C5 1.342(7) . ?
F7' C6 1.342(7) . ?
F8' C6 1.332(7) . ?
F9' C6 1.327(7) . ?
F10' C10 1.324(8) . ?
F11' C10 1.337(7) . ?
F12' C10 1.311(6) . ?
F13' C11 1.392(7) . ?
F14' C11 1.294(7) . ?
F15' C11 1.335(8) . ?
F16' C15 1.312(7) . ?
F17' C15 1.286(6) . ?
F18' C15 1.400(8) . ?
F19' C16 1.333(7) . ?
F20' C16 1.325(8) . ?
F21' C16 1.339(7) . ?
F22' C20 1.333(7) . ?
F23' C20 1.341(7) . ?
F24' C20 1.328(7) . ?
F25' C21 1.329(7) . ?
F26' C21 1.344(7) . ?
F27' C21 1.331(7) . ?
F28' C25 1.343(6) . ?
F29' C25 1.339(7) . ?
F30' C25 1.342(7) . ?
F31' C26 1.294(7) . ?
F32' C26 1.357(8) . ?
F33' C26 1.339(7) . ?
F34' C30 1.329(6) . ?
F35' C30 1.337(7) . ?
F36' C30 1.323(7) . ?
F37' C31 1.334(7) . ?
F38' C31 1.332(8) . ?
F39' C31 1.332(7) . ?
F40' C35 1.323(7) . ?
F41' C35 1.336(7) . ?
F42' C35 1.339(7) . ?
F43' C36 1.331(7) . ?
F44' C36 1.335(7) . ?
F45' C36 1.333(8) . ?
F46' C40 1.317(8) . ?
F47' C40 1.341(7) . ?
F48' C40 1.342(7) . ?
F49' C41 1.348(8) . ?
F50' C41 1.330(7) . ?
F51' C41 1.328(7) . ?
F52' C45 1.337(6) . ?
F53' C45 1.334(7) . ?
F54' C45 1.305(9) . ?
N1 N2 1.367(9) . ?
N1 C2 1.312(7) . ?
N2 C4 1.367(7) . ?
N3 N4 1.355(9) . ?
N3 C7 1.313(9) . ?
N4 C9 1.338(8) . ?
N5 N6 1.373(10) . ?
N5 C12 1.298(9) . ?
N6 C14 1.364(8) . ?
N7 N8 1.361(9) . ?
N7 C17 1.319(8) . ?
N8 C19 1.295(9) . ?
N9 N10 1.402(9) . ?
N9 C22 1.297(8) . ?
N10 C24 1.358(8) . ?
N11 N12 1.399(9) . ?
N11 C27 1.318(9) . ?
N12 C29 1.355(9) . ?
N13 N14 1.343(10) . ?
N13 C32 1.326(8) . ?
N14 C34 1.347(8) . ?
N15 N16 1.331(10) . ?
N15 C37 1.348(8) . ?
N16 C39 1.380(8) . ?
N17 N18 1.369(9) . ?
N17 C42 1.325(8) . ?
N18 C44 1.344(8) . ?
C1 C2 1.480(8) . ?
C2 C3 1.416(9) . ?
C3 C4 1.380(10) . ?
C4 C5 1.474(8) . ?
C6 C7 1.467(8) . ?
C7 C8 1.434(10) . ?
C8 C9 1.393(11) . ?
C9 C10 1.501(7) . ?
C11 C12 1.461(7) . ?
C12 C13 1.425(12) . ?
C13 C14 1.415(11) . ?
C14 C15 1.480(7) . ?
C16 C17 1.481(7) . ?
C17 C18 1.409(10) . ?
C18 C19 1.392(10) . ?
C19 C20 1.466(7) . ?
C21 C22 1.468(8) . ?
C22 C23 1.401(10) . ?
C23 C24 1.399(11) . ?
C24 C25 1.452(7) . ?
C26 C27 1.478(7) . ?
C27 C28 1.406(11) . ?
C28 C29 1.386(11) . ?
C29 C30 1.478(7) . ?
C31 C32 1.473(8) . ?
C32 C33 1.398(11) . ?
C33 C34 1.377(11) . ?
C34 C35 1.471(8) . ?
C36 C37 1.472(8) . ?
C37 C38 1.388(11) . ?
C38 C39 1.357(12) . ?
C39 C40 1.470(8) . ?
C41 C42 1.463(7) . ?
C42 C43 1.436(11) . ?
C43 C44 1.392(12) . ?
C44 C45 1.490(8) . ?
C54 C50 1.465(14) . ?
C49 C50 1.399(12) . ?
C49 C48 1.413(13) . ?
C50 C51 1.401(14) . ?
C51 C52 1.405(15) . ?
C52 C53 1.387(15) . ?
C53 C48 1.371(12) . ?
C48 C47 1.418(12) . ?
C47 C55 1.408(14) . ?
C47 C46 1.443(11) . ?
C55 C56 1.356(15) . ?
C56 C57 1.396(14) . ?
C57 C58 1.371(14) . ?
C58 C46 1.412(13) . ?
C58 C59 1.504(13) . ?
C68 C64 1.498(15) . ?
C63 C64 1.378(14) . ?
C63 C62 1.397(12) . ?
C64 C65 1.421(17) . ?
C65 C66 1.365(16) . ?
C66 C67 1.411(15) . ?
C67 C62 1.406(14) . ?
C62 C61 1.432(13) . ?
C61 C69 1.422(12) . ?
C61 C60 1.383(13) . ?
C69 C70 1.399(16) . ?
C70 C71 1.353(15) . ?
C71 C72 1.347(14) . ?
C72 C60 1.455(14) . ?
C72 C73 1.503(14) . ?
C87 C86 1.514(15) . ?
C86 C85 1.400(16) . ?
C86 C74 1.397(13) . ?
C85 C84 1.388(17) . ?
C84 C83 1.390(13) . ?
C83 C75 1.438(13) . ?
C75 C74 1.359(13) . ?
C75 C76 1.438(12) . ?
C76 C81 1.419(13) . ?
C76 C77 1.382(12) . ?
C81 C80 1.356(14) . ?
C80 C79 1.384(15) . ?
C79 C78 1.334(14) . ?
C78 C77 1.430(12) . ?
C78 C82 1.532(14) . ?

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 Ag1 N1 176.9(2) . . ?
N2 Ag2 N3 176.4(3) . . ?
N5 Ag3 N4 178.1(2) . . ?
N12 Ag4 N7 177.2(3) . . ?
N9 Ag5 N8 176.0(3) . . ?
N10 Ag6 N11 177.6(2) . . ?
N18 Ag7 N13 178.1(2) . . ?
N14 Ag8 N15 175.6(3) . . ?
N16 Ag9 N17 177.6(2) . . ?
C49 S1 C46 91.0(4) . . ?
C60 S2 C63 90.8(4) . . ?
C77 S3 C74 90.7(4) . . ?
N2 N1 Ag1 119.9(4) . . ?
C2 N1 Ag1 128.1(4) . . ?
C2 N1 N2 111.7(5) . . ?
N1 N2 Ag2 120.9(4) . . ?
C4 N2 Ag2 134.9(5) . . ?
C4 N2 N1 104.2(5) . . ?
N4 N3 Ag2 120.1(5) . . ?
C7 N3 Ag2 132.6(5) . . ?
C7 N3 N4 107.2(5) . . ?
N3 N4 Ag3 122.2(5) . . ?
C9 N4 Ag3 128.3(5) . . ?
C9 N4 N3 109.4(6) . . ?
N6 N5 Ag3 117.7(5) . . ?
C12 N5 Ag3 133.8(6) . . ?
C12 N5 N6 108.5(7) . . ?
N5 N6 Ag1 120.7(5) . . ?
C14 N6 Ag1 131.3(5) . . ?
C14 N6 N5 107.8(6) . . ?
N8 N7 Ag4 119.5(5) . . ?
C17 N7 Ag4 131.7(5) . . ?
C17 N7 N8 108.9(6) . . ?
N7 N8 Ag5 120.5(5) . . ?
C19 N8 Ag5 131.3(5) . . ?
C19 N8 N7 107.7(6) . . ?
N10 N9 Ag5 116.8(5) . . ?
C22 N9 Ag5 133.8(5) . . ?
C22 N9 N10 109.2(6) . . ?
N9 N10 Ag6 122.1(5) . . ?
C24 N10 Ag6 132.7(5) . . ?
C24 N10 N9 105.1(6) . . ?
N12 N11 Ag6 119.5(5) . . ?
C27 N11 Ag6 130.6(4) . . ?
C27 N11 N12 109.5(6) . . ?
N11 N12 Ag4 121.6(5) . . ?
C29 N12 Ag4 132.8(4) . . ?
C29 N12 N11 105.3(6) . . ?
N14 N13 Ag7 118.7(5) . . ?
C32 N13 Ag7 131.6(5) . . ?
C32 N13 N14 109.5(6) . . ?
N13 N14 Ag8 120.6(5) . . ?
N13 N14 C34 107.2(6) . . ?
C34 N14 Ag8 131.8(5) . . ?
N16 N15 Ag8 120.5(5) . . ?
N16 N15 C37 110.2(6) . . ?
C37 N15 Ag8 129.0(5) . . ?
N15 N16 Ag9 120.7(5) . . ?
N15 N16 C39 105.7(6) . . ?
C39 N16 Ag9 133.4(5) . . ?
N18 N17 Ag9 119.5(5) . . ?
C42 N17 Ag9 130.9(4) . . ?
C42 N17 N18 109.4(5) . . ?
N17 N18 Ag7 121.3(5) . . ?
C44 N18 Ag7 130.8(5) . . ?
C44 N18 N17 107.7(5) . . ?
F1 C1 C2 111.0(6) . . ?
F2 C1 F1 105.2(6) . . ?
F2 C1 F3 109.7(6) . . ?
F2 C1 C2 113.2(6) . . ?
F3 C1 F1 104.2(6) . . ?
F3 C1 C2 112.9(5) . . ?
F1' C1 F2' 107.5(6) . . ?
F1' C1 F3' 105.3(6) . . ?
F1' C1 C2 113.1(6) . . ?
F2' C1 F3' 106.9(6) . . ?
F2' C1 C2 112.0(6) . . ?
F3' C1 C2 111.6(5) . . ?
N1 C2 C1 122.4(5) . . ?
N1 C2 C3 109.0(5) . . ?
C3 C2 C1 128.6(5) . . ?
C4 C3 C2 103.0(6) . . ?
N2 C4 C3 112.1(5) . . ?
N2 C4 C5 120.7(5) . . ?
C3 C4 C5 127.2(5) . . ?
F4 C5 F5 105.8(7) . . ?
F4 C5 F6 106.9(5) . . ?
F4 C5 C4 112.8(5) . . ?
F5 C5 C4 112.0(4) . . ?
F6 C5 F5 106.0(6) . . ?
F6 C5 C4 112.9(6) . . ?
F4' C5 F6' 105.2(5) . . ?
F4' C5 C4 111.9(5) . . ?
F5' C5 F4' 107.2(7) . . ?
F5' C5 F6' 106.5(6) . . ?
F5' C5 C4 113.9(5) . . ?
F6' C5 C4 111.5(6) . . ?
F7 C6 F8 105.2(6) . . ?
F7 C6 F9 108.4(6) . . ?
F7 C6 C7 113.8(6) . . ?
F8 C6 C7 111.6(5) . . ?
F9 C6 F8 103.5(7) . . ?
F9 C6 C7 113.5(6) . . ?
F7' C6 C7 112.2(6) . . ?
F8' C6 F7' 104.9(6) . . ?
F8' C6 C7 113.3(5) . . ?
F9' C6 F7' 106.1(6) . . ?
F9' C6 F8' 107.1(7) . . ?
F9' C6 C7 112.6(6) . . ?
N3 C7 C6 123.4(5) . . ?
N3 C7 C8 111.6(6) . . ?
C8 C7 C6 125.0(6) . . ?
C9 C8 C7 101.4(6) . . ?
N4 C9 C8 110.3(5) . . ?
N4 C9 C10 121.9(5) . . ?
C8 C9 C10 127.8(6) . . ?
F10 C10 F12 106.6(7) . . ?
F10 C10 C9 111.7(5) . . ?
F11 C10 F10 108.6(6) . . ?
F11 C10 F12 107.5(6) . . ?
F11 C10 C9 111.3(6) . . ?
F12 C10 C9 111.0(5) . . ?
F10' C10 F11' 107.0(6) . . ?
F10' C10 C9 111.6(5) . . ?
F11' C10 C9 109.8(5) . . ?
F12' C10 F10' 107.9(6) . . ?
F12' C10 F11' 108.1(6) . . ?
F12' C10 C9 112.3(6) . . ?
F13 C11 F14 102.4(6) . . ?
F13 C11 C12 114.8(6) . . ?
F14 C11 C12 108.7(5) . . ?
F15 C11 F13 111.2(6) . . ?
F15 C11 F14 103.0(6) . . ?
F15 C11 C12 115.2(6) . . ?
F13' C11 C12 109.3(5) . . ?
F14' C11 F13' 105.8(6) . . ?
F14' C11 F15' 108.1(6) . . ?
F14' C11 C12 117.0(6) . . ?
F15' C11 F13' 101.9(6) . . ?
F15' C11 C12 113.4(6) . . ?
N5 C12 C11 124.4(6) . . ?
N5 C12 C13 112.2(6) . . ?
C13 C12 C11 123.3(6) . . ?
C14 C13 C12 101.7(6) . . ?
N6 C14 C13 109.7(6) . . ?
N6 C14 C15 122.1(5) . . ?
C13 C14 C15 128.2(6) . . ?
F16 C15 C14 108.5(6) . . ?
F17 C15 F16 100.8(6) . . ?
F17 C15 C14 111.4(5) . . ?
F18 C15 F16 106.0(7) . . ?
F18 C15 F17 111.3(7) . . ?
F18 C15 C14 117.4(5) . . ?
F16' C15 F18' 102.2(6) . . ?
F16' C15 C14 112.9(5) . . ?
F17' C15 F16' 113.9(6) . . ?
F17' C15 F18' 103.6(6) . . ?
F17' C15 C14 115.5(5) . . ?
F18' C15 C14 107.0(5) . . ?
F19 C16 C17 112.1(5) . . ?
F20 C16 F19 106.7(6) . . ?
F20 C16 C17 112.2(5) . . ?
F21 C16 F19 106.8(6) . . ?
F21 C16 F20 106.4(6) . . ?
F21 C16 C17 112.2(6) . . ?
F19' C16 F21' 108.1(7) . . ?
F19' C16 C17 111.8(5) . . ?
F20' C16 F19' 106.7(6) . . ?
F20' C16 F21' 105.6(6) . . ?
F20' C16 C17 112.8(5) . . ?
F21' C16 C17 111.5(6) . . ?
N7 C17 C16 123.5(5) . . ?
N7 C17 C18 109.3(5) . . ?
C18 C17 C16 127.2(5) . . ?
C19 C18 C17 102.3(6) . . ?
N8 C19 C18 111.8(5) . . ?
N8 C19 C20 121.7(5) . . ?
C18 C19 C20 126.5(6) . . ?
F22 C20 C19 112.8(5) . . ?
F23 C20 F22 104.7(6) . . ?
F23 C20 F24 107.8(6) . . ?
F23 C20 C19 112.6(6) . . ?
F24 C20 F22 105.2(7) . . ?
F24 C20 C19 113.0(5) . . ?
F22' C20 F23' 105.0(7) . . ?
F22' C20 C19 112.7(5) . . ?
F23' C20 C19 112.7(6) . . ?
F24' C20 F22' 106.9(7) . . ?
F24' C20 F23' 105.6(5) . . ?
F24' C20 C19 113.2(6) . . ?
F25 C21 F26 107.0(5) . . ?
F25 C21 F27 105.9(6) . . ?
F25 C21 C22 112.5(6) . . ?
F26 C21 F27 105.6(6) . . ?
F26 C21 C22 113.1(6) . . ?
F27 C21 C22 112.1(5) . . ?
F25' C21 F26' 106.5(5) . . ?
F25' C21 F27' 106.9(7) . . ?
F25' C21 C22 112.5(6) . . ?
F26' C21 C22 112.2(6) . . ?
F27' C21 F26' 105.1(6) . . ?
F27' C21 C22 113.1(5) . . ?
N9 C22 C21 120.3(5) . . ?
N9 C22 C23 111.7(6) . . ?
C23 C22 C21 128.0(6) . . ?
C24 C23 C22 102.6(6) . . ?
N10 C24 C23 111.3(5) . . ?
N10 C24 C25 120.6(5) . . ?
C23 C24 C25 128.0(5) . . ?
F28 C25 C24 113.8(5) . . ?
F29 C25 F28 105.6(6) . . ?
F29 C25 F30 105.4(6) . . ?
F29 C25 C24 112.9(6) . . ?
F30 C25 F28 105.2(7) . . ?
F30 C25 C24 113.3(4) . . ?
F28' C25 C24 113.8(5) . . ?
F29' C25 F28' 105.6(6) . . ?
F29' C25 F30' 105.4(6) . . ?
F29' C25 C24 112.9(6) . . ?
F30' C25 F28' 105.2(6) . . ?
F30' C25 C24 113.3(4) . . ?
F31 C26 C27 110.1(6) . . ?
F32 C26 F31 104.3(6) . . ?
F32 C26 F33 109.5(7) . . ?
F32 C26 C27 113.7(6) . . ?
F33 C26 F31 104.9(6) . . ?
F33 C26 C27 113.6(5) . . ?
F31' C26 F32' 107.4(6) . . ?
F31' C26 F33' 107.8(6) . . ?
F31' C26 C27 114.9(6) . . ?
F32' C26 C27 110.6(5) . . ?
F33' C26 F32' 103.3(6) . . ?
F33' C26 C27 112.1(5) . . ?
N11 C27 C26 121.5(5) . . ?
N11 C27 C28 109.9(5) . . ?
C28 C27 C26 128.6(6) . . ?
C29 C28 C27 103.8(7) . . ?
N12 C29 C28 111.3(5) . . ?
N12 C29 C30 121.8(5) . . ?
C28 C29 C30 126.9(6) . . ?
F34 C30 F35 108.6(6) . . ?
F34 C30 F36 105.9(6) . . ?
F34 C30 C29 113.1(5) . . ?
F35 C30 F36 104.7(6) . . ?
F35 C30 C29 113.4(6) . . ?
F36 C30 C29 110.6(5) . . ?
F34' C30 F35' 105.1(6) . . ?
F34' C30 C29 112.0(5) . . ?
F35' C30 C29 112.2(5) . . ?
F36' C30 F34' 108.0(7) . . ?
F36' C30 F35' 106.4(6) . . ?
F36' C30 C29 112.7(5) . . ?
F37 C31 C32 111.7(6) . . ?
F38 C31 F37 105.8(6) . . ?
F38 C31 C32 113.1(5) . . ?
F39 C31 F37 106.5(6) . . ?
F39 C31 F38 106.1(6) . . ?
F39 C31 C32 113.1(6) . . ?
F37' C31 C32 112.0(6) . . ?
F38' C31 F37' 106.0(7) . . ?
F38' C31 F39' 105.6(6) . . ?
F38' C31 C32 113.2(5) . . ?
F39' C31 F37' 106.6(6) . . ?
F39' C31 C32 112.8(6) . . ?
N13 C32 C31 119.6(5) . . ?
N13 C32 C33 109.1(6) . . ?
C33 C32 C31 131.2(6) . . ?
C34 C33 C32 103.9(6) . . ?
N14 C34 C33 110.2(6) . . ?
N14 C34 C35 120.8(5) . . ?
C33 C34 C35 129.1(6) . . ?
F40 C35 F41 106.8(7) . . ?
F40 C35 F42 106.2(5) . . ?
F40 C35 C34 112.9(5) . . ?
F41 C35 C34 112.4(5) . . ?
F42 C35 F41 106.1(6) . . ?
F42 C35 C34 112.0(6) . . ?
F40' C35 F41' 107.1(7) . . ?
F40' C35 F42' 105.7(5) . . ?
F40' C35 C34 113.1(6) . . ?
F41' C35 F42' 106.2(6) . . ?
F41' C35 C34 112.3(5) . . ?
F42' C35 C34 112.1(6) . . ?
F43 C36 C37 112.0(6) . . ?
F44 C36 F43 104.8(6) . . ?
F44 C36 C37 113.3(5) . . ?
F45 C36 F43 106.5(6) . . ?
F45 C36 F44 106.9(7) . . ?
F45 C36 C37 112.8(6) . . ?
F43' C36 F44' 105.7(7) . . ?
F43' C36 F45' 107.1(6) . . ?
F43' C36 C37 112.7(6) . . ?
F44' C36 C37 113.3(5) . . ?
F45' C36 F44' 105.7(7) . . ?
F45' C36 C37 111.9(6) . . ?
N15 C37 C36 121.1(5) . . ?
N15 C37 C38 108.7(6) . . ?
C38 C37 C36 130.3(6) . . ?
C39 C38 C37 104.6(7) . . ?
N16 C39 C40 121.3(5) . . ?
C38 C39 N16 110.9(6) . . ?
C38 C39 C40 127.9(6) . . ?
F46 C40 C39 111.6(5) . . ?
F47 C40 F46 104.5(7) . . ?
F47 C40 C39 112.3(5) . . ?
F48 C40 F46 107.0(6) . . ?
F48 C40 F47 107.0(6) . . ?
F48 C40 C39 113.8(6) . . ?
F46' C40 F47' 106.7(7) . . ?
F46' C40 F48' 106.9(6) . . ?
F46' C40 C39 114.4(5) . . ?
F47' C40 F48' 105.2(6) . . ?
F47' C40 C39 111.8(6) . . ?
F48' C40 C39 111.3(6) . . ?
F49 C41 F50 106.4(6) . . ?
F49 C41 F51 106.1(6) . . ?
F49 C41 C42 113.2(6) . . ?
F50 C41 F51 104.6(6) . . ?
F50 C41 C42 113.6(5) . . ?
F51 C41 C42 112.2(6) . . ?
F49' C41 C42 112.0(5) . . ?
F50' C41 F49' 105.3(6) . . ?
F50' C41 C42 113.8(5) . . ?
F51' C41 F49' 105.9(6) . . ?
F51' C41 F50' 106.0(6) . . ?
F51' C41 C42 113.2(6) . . ?
N17 C42 C41 122.9(5) . . ?
N17 C42 C43 109.0(6) . . ?
C43 C42 C41 128.1(6) . . ?
C44 C43 C42 103.3(6) . . ?
N18 C44 C43 110.5(6) . . ?
N18 C44 C45 121.5(5) . . ?
C43 C44 C45 128.0(6) . . ?
F52 C45 F53 107.9(7) . . ?
F52 C45 F54 106.7(6) . . ?
F52 C45 C44 112.5(6) . . ?
F53 C45 F54 106.3(7) . . ?
F53 C45 C44 112.0(5) . . ?
F54 C45 C44 111.1(6) . . ?
F52' C45 C44 111.0(5) . . ?
F53' C45 F52' 105.2(7) . . ?
F53' C45 C44 111.4(5) . . ?
F54' C45 F52' 107.6(6) . . ?
F54' C45 F53' 108.1(6) . . ?
F54' C45 C44 113.3(6) . . ?
C50 C49 S1 123.5(7) . . ?
C50 C49 C48 123.9(8) . . ?
C48 C49 S1 112.6(7) . . ?
C49 C50 C54 124.7(9) . . ?
C49 C50 C51 114.7(9) . . ?
C51 C50 C54 120.5(9) . . ?
C50 C51 C52 123.2(9) . . ?
C53 C52 C51 118.7(9) . . ?
C48 C53 C52 121.3(9) . . ?
C49 C48 C47 112.6(7) . . ?
C53 C48 C49 118.1(9) . . ?
C53 C48 C47 129.2(9) . . ?
C48 C47 C46 112.8(8) . . ?
C55 C47 C48 131.6(8) . . ?
C55 C47 C46 115.6(8) . . ?
C56 C55 C47 120.5(10) . . ?
C55 C56 C57 122.9(10) . . ?
C58 C57 C56 120.8(9) . . ?
C57 C58 C46 116.8(8) . . ?
C57 C58 C59 123.2(9) . . ?
C46 C58 C59 120.0(9) . . ?
C47 C46 S1 110.9(6) . . ?
C58 C46 S1 125.5(7) . . ?
C58 C46 C47 123.6(8) . . ?
C64 C63 S2 125.0(8) . . ?
C64 C63 C62 122.8(10) . . ?
C62 C63 S2 112.2(7) . . ?
C63 C64 C68 122.4(10) . . ?
C63 C64 C65 117.2(9) . . ?
C65 C64 C68 120.4(10) . . ?
C66 C65 C64 122.4(11) . . ?
C65 C66 C67 118.8(11) . . ?
C62 C67 C66 120.7(9) . . ?
C63 C62 C67 118.1(9) . . ?
C63 C62 C61 111.8(8) . . ?
C67 C62 C61 130.1(8) . . ?
C69 C61 C62 128.9(9) . . ?
C60 C61 C62 112.5(8) . . ?
C60 C61 C69 118.5(9) . . ?
C70 C69 C61 118.4(9) . . ?
C71 C70 C69 121.2(9) . . ?
C72 C71 C70 123.8(11) . . ?
C71 C72 C60 116.3(9) . . ?
C71 C72 C73 125.2(10) . . ?
C60 C72 C73 118.5(9) . . ?
C61 C60 S2 112.6(7) . . ?
C61 C60 C72 121.8(8) . . ?
C72 C60 S2 125.6(7) . . ?
C85 C86 C87 122.3(10) . . ?
C74 C86 C87 124.0(9) . . ?
C74 C86 C85 113.6(9) . . ?
C84 C85 C86 123.0(9) . . ?
C85 C84 C83 121.1(10) . . ?
C84 C83 C75 117.7(9) . . ?
C83 C75 C76 127.7(9) . . ?
C74 C75 C83 117.9(8) . . ?
C74 C75 C76 114.4(8) . . ?
C86 C74 S3 122.1(7) . . ?
C75 C74 S3 111.2(6) . . ?
C75 C74 C86 126.7(9) . . ?
C81 C76 C75 131.1(8) . . ?
C77 C76 C75 111.9(8) . . ?
C77 C76 C81 117.1(8) . . ?
C80 C81 C76 119.7(9) . . ?
C81 C80 C79 121.1(9) . . ?
C78 C79 C80 122.9(9) . . ?
C79 C78 C77 116.2(8) . . ?
C79 C78 C82 125.2(8) . . ?
C77 C78 C82 118.5(8) . . ?
C76 C77 S3 111.8(6) . . ?
C76 C77 C78 123.0(8) . . ?
C78 C77 S3 125.1(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.89(2)
2 0.11(2)

####################################################################### 
# 
# 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_Ag3L3BT
_database_code_depnum_ccdc_archive 'CCDC 1938385'
_audit_update_record             
;
2019-10-02 deposited with the CCDC.	2019-10-14 downloaded from the CCDC.
;
_audit_creation_date             2019-09-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H3 Ag3 F18 N6, C8 H6 S'
_chemical_formula_sum            'C23 H9 Ag3 F18 N6 S'
_chemical_formula_weight         1067.03
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.70080(10)
_cell_length_b                   10.1698(2)
_cell_length_c                   40.8111(7)
_cell_angle_alpha                90
_cell_angle_beta                 92.2883(6)
_cell_angle_gamma                90
_cell_volume                     3193.60(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    298.15(10)
_cell_measurement_theta_max      26.433
_cell_measurement_theta_min      2.498
_shelx_estimated_absorpt_T_max   0.713
_shelx_estimated_absorpt_T_min   0.688
_exptl_absorpt_coefficient_mu    2.020
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_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    2.219
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            47098
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.942
_diffrn_reflns_theta_min         2.238
_diffrn_ambient_temperature      298.15(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4942
_reflns_number_total             7447
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXS
_refine_diff_density_max         1.608
_refine_diff_density_min         -1.355
_refine_diff_density_rms         0.218
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         7447
_refine_ls_number_restraints     1130
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_gt           0.0643
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1077P)²+10.6886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1842
_refine_ls_wR_factor_ref         0.2089
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 F5B-C5 = F5A-C5 = F6B-C5 = F6A-C5 = F4A-C5 = F4B-C5
 1.35 with sigma of 0.01
 F7B-C6 = F7A-C6 = F8B-C6 = F8A-C6 = F9A-C6 = F9B-C6
 1.35 with sigma of 0.01
 F9B-C6 = F7B-C6 = F7A-C6 = F8B-C6 = F8A-C6 = F9A-C6
 1.35 with sigma of 0.01
 F12B-C10 = F12A-C10 = F10B-C10 = F10A-C10 = F11B-C10 = F11A-C10
 1.35 with sigma of 0.01
 F14B-C11 = F14A-C11 = F13B-C11 = F13A-C11 = F15B-C11 = F15A-C11
 1.35 with sigma of 0.01
 F16B-C15 = F16A-C15 = F18B-C15 = F18A-C15 = F17A-C15 = F17B-C15
 1.35 with sigma of 0.01
 F1A-C1 = F1B-C1 = F3B-C1 = F3A-C1 = F2A-C1 = F2B-C1
 1.35 with sigma of 0.01
 C22A-C23A = C22B-C23B
 1.35 with sigma of 0.01
 S1A-C16A = S1A-C23A = S1B-C16B = S1B-C23B
 1.75 with sigma of 0.01
 C21A-C22A = C21B-C22B
 1.45 with sigma of 0.01
 F1B-F2B \\sim F1B-F3B \\sim F2B-F3B \\sim F4B-F5B \\sim F4B-F6B \\sim F5B-F6B
\\sim F7B-F8B \\sim F7B-F9B
 \\sim F7B-F8B \\sim F10B-F11B \\sim F10B-F12B \\sim F11B-F12B
 with sigma of 0.01
 F5A-C5 \\sim F5B-C5 \\sim F6B-C5 \\sim F6A-C5 \\sim F4A-C5 \\sim F4B-C5
 with sigma of 0.001
 F9A-C6 \\sim F9B-C6 \\sim F7B-C6 \\sim F7A-C6 \\sim F8B-C6 \\sim F8A-C6
 with sigma of 0.001
 F1A-C1 \\sim F1B-C1 \\sim F3A-C1 \\sim F3B-C1 \\sim F2B-C1 \\sim F2A-C1 \\sim
F4B-C5 \\sim F4A-C5 \\sim F6B-
 C5 \\sim F6A-C5 \\sim F5B-C5 \\sim F5A-C5 \\sim F9B-C6 \\sim F9A-C6 \\sim
F8A-C6 \\sim F8B-C6 \\sim F7A-C6 ~
 F7B-C6 \\sim F11A-C10 \\sim F11B-C10 \\sim F12A-C10 \\sim F12B-C10 \\sim
F10B-C10 \\sim F10A-C10 ~
 F13A-C11 \\sim F13B-C11 \\sim F14A-C11 \\sim F15A-C11 \\sim F14B-C11 \\sim
F15B-C11 \\sim F16A-C15 ~
 F16B-C15 \\sim F18B-C15 \\sim F18A-C15 \\sim F17B-C15 \\sim F17A-C15
 with sigma of 0.01
3. Restrained planarity
 S1B, C16B, C17B, C18B, C19B, C20B, C21B, C22B, C23B
 with sigma of 0.01
 S1A, C16A, C17A, C18A, C19A, C20A, C21A, C22A, C23A
 with sigma of 0.01
4. Rigid bond restraints
 C17A, C16A, C18A, C19A, C20A, C21A, C22A, C23A, S1A
 with sigma for 1-2 distances of 0.006 and sigma for 1-3 distances of 0.006
5. Uiso/Uaniso restraints and constraints
S1A \\sim C22A \\sim C21A \\sim C20A \\sim C18A \\sim C16A \\sim C19A \\sim
C17A \\sim C23A: within 2A with sigma of 0.006 and sigma for terminal atoms of
0.012
Uanis(F3B) \\sim Ueq, Uanis(F2B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F2B) \\sim Ueq, Uanis(F3B) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(F6B) \\sim Ueq, Uanis(F4B) \\sim Ueq, Uanis(F5B) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(F1B) \\sim Ueq, Uanis(F2B) \\sim Ueq, Uanis(F3B) \\sim Ueq, Uanis(F4B)
\\sim Ueq, Uanis(F5B) \\sim Ueq, Uanis(F6B) \\sim Ueq, Uanis(F7B) \\sim Ueq,
Uanis(F8B) \\sim Ueq, Uanis(F9B) \\sim Ueq, Uanis(F10B) \\sim Ueq, Uanis(F11B)
\\sim Ueq, Uanis(F12B) \\sim Ueq, Uanis(F13A) \\sim Ueq, Uanis(F14B) \\sim Ueq,
Uanis(F15A) \\sim Ueq, Uanis(F16B) \\sim Ueq, Uanis(F17A) \\sim Ueq,
Uanis(F18A) \\sim Ueq, Uanis(F5A) \\sim Ueq, Uanis(F4A) \\sim Ueq, Uanis(F6A)
\\sim Ueq, Uanis(F7A) \\sim Ueq, Uanis(F9A) \\sim Ueq, Uanis(F8A) \\sim Ueq,
Uanis(F11A) \\sim Ueq, Uanis(F10A) \\sim Ueq, Uanis(F12A) \\sim Ueq,
Uanis(F15B) \\sim Ueq, Uanis(F14A) \\sim Ueq, Uanis(F13B) \\sim Ueq,
Uanis(F17B) \\sim Ueq, Uanis(F18B) \\sim Ueq, Uanis(F16A) \\sim Ueq, Uanis(F3A)
\\sim Ueq, Uanis(F1A) \\sim Ueq, Uanis(F2A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(S1A) \\sim Ueq, Uanis(C16A) \\sim Ueq, Uanis(C17A) \\sim Ueq, Uanis(C18A)
\\sim Ueq, Uanis(C19A) \\sim Ueq, Uanis(C20A) \\sim Ueq, Uanis(C21A) \\sim Ueq,
Uanis(C22A) \\sim Ueq, Uanis(C23A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F5A) = Uanis(F5B)
Uanis(F4B) = Uanis(F4A)
Uanis(F6A) = Uanis(F6B)
Uanis(F9B) = Uanis(F9A)
Uanis(F8A) = Uanis(F8B)
Uanis(F7B) = Uanis(F7A)
Uanis(F11B) = Uanis(F11A)
Uanis(F12A) = Uanis(F12B)
Uanis(F10B) = Uanis(F10A)
Uanis(F14A) = Uanis(F14B)
Uanis(F13B) = Uanis(F13A)
Uanis(F15A) = Uanis(F15B)
Uanis(F17B) = Uanis(F17A)
Uanis(F16B) = Uanis(F16A)
Uanis(F18B) = Uanis(F18A)
Uanis(F2A) = Uanis(F2B)
Uanis(F1A) = Uanis(F1B)
Uanis(F3B) = Uanis(F3A)
Uanis(S1A) = Uanis(S1B)
Uanis(C22A) = Uanis(C22B)
Uanis(C23A) = Uanis(C23B)
Uanis(C16A) = Uanis(C16B)
Uanis(C17A) = Uanis(C17B)
Uanis(C18A) = Uanis(C18B)
Uanis(C19A) = Uanis(C19B)
Uanis(C20A) = Uanis(C20B)
Uanis(C21A) = Uanis(C21B)
6. Others
 Fixed Sof: F1B(0.5) F2B(0.5) F3B(0.5) F4B(0.5) F5B(0.5) F6B(0.5) F7B(0.5)
 F8B(0.5) F9B(0.5) F10B(0.5) F11B(0.5) F12B(0.5) F13A(0.5) F14B(0.5) F15A(0.5)
 F16B(0.5) F17A(0.5) F18A(0.5) S1A(0.5) C16A(0.5) C17A(0.5) H17(0.5) C18A(0.5)
 H18(0.5) C19A(0.5) H19(0.5) C20A(0.5) H20(0.5) C21A(0.5) C22A(0.5) H22(0.5)
 C23A(0.5) H23(0.5) S1B(0.5) C16B(0.5) C17B(0.5) H17B(0.5) C18B(0.5) H18B(0.5)
 C19B(0.5) H19B(0.5) C20B(0.5) H20B(0.5) C21B(0.5) C22B(0.5) H22B(0.5)
 C23B(0.5) H23B(0.5) F5A(0.5) F4A(0.5) F6A(0.5) F7A(0.5) F9A(0.5) F8A(0.5)
 F11A(0.5) F10A(0.5) F12A(0.5) F15B(0.5) F14A(0.5) F13B(0.5) F17B(0.5)
 F18B(0.5) F16A(0.5) F3A(0.5) F1A(0.5) F2A(0.5)
7.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C13(H13), C17A(H17), C18A(H18), C19A(H19), C20A(H20),
 C22A(H22), C23A(H23), C17B(H17B), C18B(H18B), C19B(H19B), C20B(H20B),
 C22B(H22B), C23B(H23B)
7.b Fitted hexagon refined as free rotating group:
 C16A(C17A,C18A,C19A,C20A,C21A), C16B(C17B,C18B,C19B,C20B,C21B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.49663(9) 0.74745(7) 0.65596(2) 0.0685(2) Uani 1 1 d . . . . .
Ag2 Ag 0.63180(9) 1.05413(7) 0.63332(2) 0.0699(2) Uani 1 1 d . . . . .
Ag3 Ag 0.36933(9) 0.86692(6) 0.58034(2) 0.0659(2) Uani 1 1 d . . . . .
F1B F 0.7999(15) 0.6388(19) 0.7311(5) 0.113(4) Uani 0.5 1 d D U P A 2
F2B F 0.659(2) 0.739(2) 0.76853(18) 0.115(4) Uani 0.5 1 d D U P A 2
F3B F 0.5202(13) 0.6450(15) 0.7277(5) 0.110(4) Uani 0.5 1 d D U P A 2
F4B F 0.8457(18) 1.2236(18) 0.7388(2) 0.136(5) Uani 0.5 1 d D U P B 2
F5B F 0.6950(16) 1.2652(14) 0.6944(3) 0.123(4) Uani 0.5 1 d D U P B 2
F6B F 0.9615(12) 1.1994(17) 0.6920(3) 0.131(4) Uani 0.5 1 d D U P B 2
F7B F 0.698(2) 1.4418(10) 0.5718(4) 0.146(6) Uani 0.5 1 d D U P C 2
F8B F 0.8866(14) 1.2847(16) 0.5692(5) 0.145(5) Uani 0.5 1 d D U P C 2
F9B F 0.760(3) 1.3267(19) 0.6152(2) 0.138(5) Uani 0.5 1 d D U P C 2
F10B F 0.303(2) 0.9777(10) 0.5030(4) 0.132(5) Uani 0.5 1 d D U P D 2
F11B F 0.237(2) 1.1808(15) 0.4928(3) 0.140(5) Uani 0.5 1 d D U P D 2
F12B F 0.1081(17) 1.0750(16) 0.5307(4) 0.139(5) Uani 0.5 1 d D U P D 2
F13A F 0.340(3) 0.550(2) 0.5204(6) 0.151(6) Uani 0.5 1 d D U P E 1
F14B F 0.0575(18) 0.6473(17) 0.5348(4) 0.125(4) Uani 0.5 1 d D U P E 2
F15A F 0.096(2) 0.4883(18) 0.5295(6) 0.136(6) Uani 0.5 1 d D U P E 1
F16B F 0.295(3) 0.2974(9) 0.6501(7) 0.124(5) Uani 0.5 1 d D U P F 2
F17A F 0.1647(18) 0.419(2) 0.6679(5) 0.132(6) Uani 0.5 1 d D U P F 1
F18A F 0.413(3) 0.482(2) 0.6796(4) 0.134(6) Uani 0.5 1 d D U P F 1
N1 N 0.6369(8) 0.8666(7) 0.68971(15) 0.0641(17) Uani 1 1 d . . . . .
N2 N 0.6820(8) 0.9885(7) 0.68157(16) 0.0624(16) Uani 1 1 d . . . . .
N3 N 0.5586(9) 1.1230(6) 0.58625(17) 0.0636(16) Uani 1 1 d . . . . .
N4 N 0.4338(10) 1.0608(6) 0.56835(16) 0.0643(17) Uani 1 1 d . . . . .
N5 N 0.3307(8) 0.6685(6) 0.59106(14) 0.0546(14) Uani 1 1 d . . . . .
N6 N 0.3645(8) 0.6248(6) 0.62195(15) 0.0572(14) Uani 1 1 d . . . . .
C1 C 0.6622(10) 0.7169(10) 0.73614(15) 0.099(4) Uani 1 1 d D . . . .
C2 C 0.6898(11) 0.8442(11) 0.7213(2) 0.075(2) Uani 1 1 d . . . . .
C3 C 0.7656(12) 0.9607(11) 0.7336(2) 0.085(3) Uani 1 1 d . . . . .
H3 H 0.8118 0.9757 0.7547 0.102 Uiso 1 1 calc R . . . .
C4 C 0.7568(10) 1.0458(9) 0.7083(2) 0.067(2) Uani 1 1 d . . . . .
C5 C 0.8134(8) 1.1817(9) 0.70788(15) 0.092(3) Uani 1 1 d D . . . .
C6 C 0.7356(12) 1.3192(7) 0.58240(19) 0.109(4) Uani 1 1 d D . . . .
C7 C 0.5993(13) 1.2332(8) 0.5704(3) 0.074(2) Uani 1 1 d . . . . .
C8 C 0.4988(14) 1.2426(10) 0.5413(3) 0.086(3) Uani 1 1 d . . . . .
H8 H 0.5008 1.3077 0.5254 0.103 Uiso 1 1 calc R . . . .
C9 C 0.3952(12) 1.1312(9) 0.5420(2) 0.071(2) Uani 1 1 d . . . . .
C10 C 0.2629(12) 1.0929(8) 0.51701(19) 0.093(3) Uani 1 1 d D . . . .
C11 C 0.2086(12) 0.5830(8) 0.5396(2) 0.091(3) Uani 1 1 d D . . . .
C12 C 0.2561(10) 0.5701(8) 0.57416(18) 0.0606(18) Uani 1 1 d . . . . .
C13 C 0.2395(12) 0.4627(8) 0.5930(2) 0.070(2) Uani 1 1 d . . . . .
H13 H 0.1926 0.3815 0.5870 0.084 Uiso 1 1 calc R . . . .
C14 C 0.3091(10) 0.5014(7) 0.62372(19) 0.0593(18) Uani 1 1 d . . . . .
C15 C 0.3216(13) 0.4271(7) 0.6544(2) 0.098(3) Uani 1 1 d D . . . .
S1A S -0.1375(13) 0.6749(9) 0.6245(3) 0.1461(18) Uani 0.5 1 d D U P G 1
C16A C -0.0046(14) 0.7945(13) 0.6438(5) 0.117(2) Uani 0.5 1 d D U P G 1
C17A C 0.076(2) 0.7964(14) 0.6749(4) 0.114(3) Uani 0.5 1 d G U P G 1
H17 H 0.0629 0.7257 0.6891 0.136 Uiso 0.5 1 calc R . P G 1
C18A C 0.176(2) 0.9039(18) 0.6849(4) 0.110(3) Uani 0.5 1 d G U P G 1
H18 H 0.2304 0.9051 0.7057 0.132 Uiso 0.5 1 calc R . P G 1
C19A C 0.196(2) 1.0096(14) 0.6637(5) 0.114(3) Uani 0.5 1 d G U P G 1
H19 H 0.2631 1.0815 0.6704 0.136 Uiso 0.5 1 calc R . P G 1
C20A C 0.115(2) 1.0077(15) 0.6327(4) 0.106(3) Uani 0.5 1 d G U P G 1
H20 H 0.1285 1.0784 0.6185 0.128 Uiso 0.5 1 calc R . P G 1
C21A C 0.0150(16) 0.9002(18) 0.6227(3) 0.104(2) Uani 0.5 1 d DG U P G 1
C22A C -0.070(2) 0.897(2) 0.5903(4) 0.104(2) Uani 0.5 1 d D U P G 1
H22 H -0.0688 0.9593 0.5736 0.125 Uiso 0.5 1 calc R . P G 1
C23A C -0.150(3) 0.781(2) 0.5911(5) 0.123(3) Uani 0.5 1 d D U P G 1
H23 H -0.2156 0.7547 0.5726 0.148 Uiso 0.5 1 calc R . P G 1
S1B S 0.1964(14) 0.9953(11) 0.6612(3) 0.1461(18) Uani 0.5 1 d D . P H 2
C16B C 0.0595(12) 0.9131(16) 0.6348(4) 0.117(2) Uani 0.5 1 d D . P H 2
C17B C -0.004(2) 0.9505(13) 0.6038(4) 0.114(3) Uani 0.5 1 d G . P H 2
H17B H 0.0287 1.0307 0.5950 0.136 Uiso 0.5 1 calc R . P H 2
C18B C -0.116(2) 0.8679(18) 0.5859(3) 0.110(3) Uani 0.5 1 d G . P H 2
H18B H -0.1584 0.8928 0.5652 0.132 Uiso 0.5 1 calc R . P H 2
C19B C -0.1647(19) 0.7479(16) 0.5991(4) 0.114(3) Uani 0.5 1 d G . P H 2
H19B H -0.2397 0.6926 0.5871 0.136 Uiso 0.5 1 calc R . P H 2
C20B C -0.101(2) 0.7106(13) 0.6300(4) 0.106(3) Uani 0.5 1 d G . P H 2
H20B H -0.1340 0.6303 0.6388 0.128 Uiso 0.5 1 calc R . P H 2
C21B C 0.0107(18) 0.7932(18) 0.6479(3) 0.104(2) Uani 0.5 1 d DG . P H 2
C22B C 0.081(3) 0.758(2) 0.6806(4) 0.104(2) Uani 0.5 1 d D . P H 2
H22B H 0.0627 0.6835 0.6931 0.125 Uiso 0.5 1 calc R . P H 2
C23B C 0.177(3) 0.8629(17) 0.6874(6) 0.123(3) Uani 0.5 1 d D . P H 2
H23B H 0.2372 0.8656 0.7076 0.148 Uiso 0.5 1 calc R . P H 2
F5A F 0.6835(18) 1.2667(14) 0.7133(4) 0.123(4) Uani 0.5 1 d D U P B 1
F4A F 0.9371(19) 1.217(2) 0.7304(4) 0.136(5) Uani 0.5 1 d D U P B 1
F6A F 0.873(2) 1.2233(17) 0.6791(3) 0.131(4) Uani 0.5 1 d D U P B 1
F7A F 0.785(3) 1.4136(14) 0.5615(4) 0.146(6) Uani 0.5 1 d D U P C 1
F9A F 0.684(3) 1.3775(19) 0.6100(3) 0.138(5) Uani 0.5 1 d D U P C 1
F8A F 0.8826(16) 1.2630(16) 0.5947(5) 0.145(5) Uani 0.5 1 d D U P C 1
F11A F 0.313(3) 1.126(2) 0.4869(3) 0.140(5) Uani 0.5 1 d D U P D 1
F10A F 0.228(3) 0.9634(10) 0.5151(5) 0.132(5) Uani 0.5 1 d D U P D 1
F12A F 0.1111(16) 1.1525(19) 0.5225(5) 0.139(5) Uani 0.5 1 d D U P D 1
F15B F 0.192(3) 0.4681(15) 0.5234(6) 0.136(6) Uani 0.5 1 d D U P E 2
F14A F 0.181(2) 0.7060(11) 0.5286(3) 0.125(4) Uani 0.5 1 d D U P E 1
F13B F 0.344(3) 0.624(2) 0.5223(6) 0.151(6) Uani 0.5 1 d D U P E 2
F17B F 0.222(2) 0.473(2) 0.6783(4) 0.132(6) Uani 0.5 1 d D U P F 2
F18B F 0.4809(19) 0.444(2) 0.6689(5) 0.134(6) Uani 0.5 1 d D U P F 2
F16A F 0.390(2) 0.3066(10) 0.6501(7) 0.124(5) Uani 0.5 1 d D U P F 1
F3A F 0.4890(12) 0.6983(18) 0.7326(5) 0.110(4) Uani 0.5 1 d D U P A 1
F1A F 0.748(2) 0.6156(17) 0.7230(6) 0.113(4) Uani 0.5 1 d D U P A 1
F2A F 0.703(3) 0.702(2) 0.7683(2) 0.115(4) Uani 0.5 1 d D U P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.101(7) . ?
Ag1 N6 2.099(6) . ?
Ag2 N2 2.100(7) . ?
Ag2 N3 2.100(7) . ?
Ag3 N4 2.096(6) . ?
Ag3 N5 2.089(6) . ?
F1B C1 1.347(6) . ?
F2B C1 1.343(6) . ?
F3B C1 1.349(6) . ?
F4B C5 1.347(3) . ?
F5B C5 1.347(3) . ?
F6B C5 1.347(3) . ?
F7B C6 1.347(2) . ?
F8B C6 1.347(2) . ?
F9B C6 1.347(2) . ?
F10B C10 1.346(6) . ?
F11B C10 1.342(6) . ?
F12B C10 1.349(6) . ?
F13A C11 1.346(6) . ?
F14B C11 1.342(6) . ?
F15A C11 1.348(6) . ?
F16B C15 1.345(6) . ?
F17A C15 1.351(6) . ?
F18A C15 1.346(6) . ?
N1 N2 1.334(10) . ?
N1 C2 1.354(10) . ?
N2 C4 1.347(10) . ?
N3 N4 1.342(9) . ?
N3 C7 1.336(11) . ?
N4 C9 1.315(10) . ?
N5 N6 1.352(8) . ?
N5 C12 1.333(9) . ?
N6 C14 1.328(9) . ?
C1 C2 1.449(14) . ?
C1 F3A 1.350(6) . ?
C1 F1A 1.347(6) . ?
C1 F2A 1.344(6) . ?
C2 C3 1.405(14) . ?
C3 C4 1.346(14) . ?
C4 C5 1.449(13) . ?
C5 F5A 1.347(3) . ?
C5 F4A 1.347(3) . ?
C5 F6A 1.347(3) . ?
C6 C7 1.437(13) . ?
C6 F7A 1.347(2) . ?
C6 F9A 1.347(2) . ?
C6 F8A 1.347(2) . ?
C7 C8 1.394(15) . ?
C8 C9 1.386(13) . ?
C9 C10 1.466(13) . ?
C10 F11A 1.347(6) . ?
C10 F10A 1.345(6) . ?
C10 F12A 1.343(6) . ?
C11 C12 1.448(11) . ?
C11 F15B 1.346(6) . ?
C11 F14A 1.344(6) . ?
C11 F13B 1.345(6) . ?
C12 C13 1.345(12) . ?
C13 C14 1.399(12) . ?
C14 C15 1.461(12) . ?
C15 F17B 1.348(6) . ?
C15 F18B 1.352(6) . ?
C15 F16A 1.348(6) . ?
S1A C16A 1.757(9) . ?
S1A C23A 1.736(10) . ?
C16A C17A 1.3900 . ?
C16A C21A 1.3900 . ?
C17A C18A 1.3900 . ?
C18A C19A 1.3900 . ?
C19A C20A 1.3900 . ?
C20A C21A 1.3900 . ?
C21A C22A 1.451(10) . ?
C22A C23A 1.335(10) . ?
S1B C16B 1.699(9) . ?
S1B C23B 1.730(10) . ?
C16B C17B 1.3900 . ?
C16B C21B 1.3900 . ?
C17B C18B 1.3900 . ?
C18B C19B 1.3900 . ?
C19B C20B 1.3900 . ?
C20B C21B 1.3900 . ?
C21B C22B 1.462(10) . ?
C22B C23B 1.317(10) . ?

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 Ag1 N1 178.0(3) . . ?
N2 Ag2 N3 174.9(3) . . ?
N5 Ag3 N4 174.2(3) . . ?
N2 N1 Ag1 120.3(5) . . ?
N2 N1 C2 108.8(7) . . ?
C2 N1 Ag1 130.8(6) . . ?
N1 N2 Ag2 119.3(5) . . ?
N1 N2 C4 107.9(7) . . ?
C4 N2 Ag2 132.8(7) . . ?
N4 N3 Ag2 120.1(5) . . ?
C7 N3 Ag2 131.4(6) . . ?
C7 N3 N4 108.0(7) . . ?
N3 N4 Ag3 119.2(5) . . ?
C9 N4 Ag3 130.9(6) . . ?
C9 N4 N3 108.8(7) . . ?
N6 N5 Ag3 119.3(4) . . ?
C12 N5 Ag3 132.8(5) . . ?
C12 N5 N6 107.4(6) . . ?
N5 N6 Ag1 119.4(4) . . ?
C14 N6 Ag1 132.4(5) . . ?
C14 N6 N5 108.1(6) . . ?
F1B C1 F3B 106.0(7) . . ?
F1B C1 C2 109.4(12) . . ?
F2B C1 F1B 107.3(7) . . ?
F2B C1 F3B 107.1(7) . . ?
F2B C1 C2 105.7(11) . . ?
F3B C1 C2 120.6(10) . . ?
F3A C1 C2 104.0(10) . . ?
F1A C1 C2 115.7(13) . . ?
F1A C1 F3A 110.4(14) . . ?
F2A C1 C2 118.5(13) . . ?
F2A C1 F3A 106.0(14) . . ?
F2A C1 F1A 101.9(15) . . ?
N1 C2 C1 120.3(8) . . ?
N1 C2 C3 107.7(9) . . ?
C3 C2 C1 132.0(8) . . ?
C4 C3 C2 105.1(8) . . ?
N2 C4 C5 121.4(8) . . ?
C3 C4 N2 110.5(8) . . ?
C3 C4 C5 128.1(8) . . ?
F4B C5 C4 109.5(10) . . ?
F5B C5 F4B 106.2(6) . . ?
F5B C5 F6B 107.0(7) . . ?
F5B C5 C4 114.1(9) . . ?
F6B C5 F4B 106.3(6) . . ?
F6B C5 C4 113.3(9) . . ?
F5A C5 C4 112.6(10) . . ?
F5A C5 F4A 102.9(13) . . ?
F5A C5 F6A 102.8(13) . . ?
F4A C5 C4 116.9(11) . . ?
F4A C5 F6A 104.8(13) . . ?
F6A C5 C4 115.1(10) . . ?
F7B C6 F8B 106.9(6) . . ?
F7B C6 F9B 106.7(7) . . ?
F7B C6 C7 108.0(11) . . ?
F8B C6 F9B 108.8(14) . . ?
F8B C6 C7 109.6(10) . . ?
F9B C6 C7 116.3(11) . . ?
F7A C6 C7 116.0(12) . . ?
F7A C6 F9A 108.4(14) . . ?
F7A C6 F8A 106.5(14) . . ?
F9A C6 C7 108.5(11) . . ?
F8A C6 C7 117.4(10) . . ?
F8A C6 F9A 98.4(14) . . ?
N3 C7 C6 121.9(9) . . ?
N3 C7 C8 109.6(8) . . ?
C8 C7 C6 128.4(8) . . ?
C9 C8 C7 103.1(8) . . ?
N4 C9 C8 110.4(9) . . ?
N4 C9 C10 123.6(8) . . ?
C8 C9 C10 126.0(8) . . ?
F10B C10 F12B 106.3(7) . . ?
F10B C10 C9 111.2(11) . . ?
F11B C10 F10B 107.2(7) . . ?
F11B C10 F12B 106.8(7) . . ?
F11B C10 C9 114.5(11) . . ?
F12B C10 C9 110.4(11) . . ?
F11A C10 C9 110.7(12) . . ?
F10A C10 C9 115.5(12) . . ?
F10A C10 F11A 104.6(15) . . ?
F12A C10 C9 110.4(11) . . ?
F12A C10 F11A 109.0(14) . . ?
F12A C10 F10A 106.3(15) . . ?
F13A C11 F15A 97.4(15) . . ?
F13A C11 C12 112.2(14) . . ?
F14B C11 C12 111.7(9) . . ?
F14B C11 F15B 106.6(13) . . ?
F14B C11 F13B 117.3(16) . . ?
F15A C11 C12 111.6(13) . . ?
F15B C11 C12 114.5(13) . . ?
F14A C11 F13A 98.7(14) . . ?
F14A C11 F15A 118.1(15) . . ?
F14A C11 C12 116.2(9) . . ?
F13B C11 C12 111.6(14) . . ?
F13B C11 F15B 94.0(15) . . ?
N5 C12 C11 121.5(7) . . ?
N5 C12 C13 111.2(7) . . ?
C13 C12 C11 127.2(7) . . ?
C12 C13 C14 104.1(7) . . ?
N6 C14 C13 109.2(7) . . ?
N6 C14 C15 121.6(7) . . ?
C13 C14 C15 129.1(7) . . ?
F16B C15 C14 113.1(14) . . ?
F16B C15 F17B 109.9(16) . . ?
F16B C15 F18B 108.0(15) . . ?
F17A C15 C14 110.6(12) . . ?
F18A C15 F17A 99.3(15) . . ?
F18A C15 C14 117.2(12) . . ?
F18A C15 F16A 106.1(16) . . ?
F17B C15 C14 115.0(12) . . ?
F17B C15 F18B 100.0(15) . . ?
F18B C15 C14 109.8(12) . . ?
F16A C15 F17A 111.1(15) . . ?
F16A C15 C14 111.8(13) . . ?
C23A S1A C16A 86.4(13) . . ?
C17A C16A S1A 130.6(13) . . ?
C17A C16A C21A 120.0 . . ?
C21A C16A S1A 109.4(13) . . ?
C18A C17A C16A 120.0 . . ?
C19A C18A C17A 120.0 . . ?
C18A C19A C20A 120.0 . . ?
C19A C20A C21A 120.0 . . ?
C16A C21A C22A 119.5(16) . . ?
C20A C21A C16A 120.0 . . ?
C20A C21A C22A 120.5(16) . . ?
C23A C22A C21A 101(2) . . ?
C22A C23A S1A 124(2) . . ?
C16B S1B C23B 86.6(13) . . ?
C17B C16B S1B 129.1(13) . . ?
C17B C16B C21B 120.0 . . ?
C21B C16B S1B 110.9(13) . . ?
C18B C17B C16B 120.0 . . ?
C17B C18B C19B 120.0 . . ?
C18B C19B C20B 120.0 . . ?
C21B C20B C19B 120.0 . . ?
C16B C21B C22B 117.9(17) . . ?
C20B C21B C16B 120.0 . . ?
C20B C21B C22B 122.1(17) . . ?
C23B C22B C21B 100(2) . . ?
C22B C23B S1B 124(2) . . ?

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

data_Ag3L3DMT
_database_code_depnum_ccdc_archive 'CCDC 1938386'
_audit_update_record             
;
2019-10-02 deposited with the CCDC.	2019-10-14 downloaded from the CCDC.
;
_audit_creation_date             2019-09-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H3 Ag3 F18 N6, C6 H8 S'
_chemical_formula_sum            'C21 H11 Ag3 F18 N6 S'
_chemical_formula_weight         1045.03
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.9258(5)
_cell_length_b                   13.2224(3)
_cell_length_c                   23.7561(6)
_cell_angle_alpha                90
_cell_angle_beta                 105.2918(9)
_cell_angle_gamma                90
_cell_volume                     6643.3(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9278
_cell_measurement_temperature    298.15(10)
_cell_measurement_theta_max      27.009
_cell_measurement_theta_min      2.250
_shelx_estimated_absorpt_T_max   0.686
_shelx_estimated_absorpt_T_min   0.643
_exptl_absorpt_coefficient_mu    1.939
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_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    2.090
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3984
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0794
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            112579
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.551
_diffrn_reflns_theta_min         1.907
_diffrn_ambient_temperature      298.15(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7872
_reflns_number_total             15297
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXS
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     995
_refine_ls_number_reflns         15297
_refine_ls_number_restraints     3164
_refine_ls_R_factor_all          0.1275
_refine_ls_R_factor_gt           0.0551
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0742P)²+10.4360P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1705
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1-F1 = C1-F2 = C1-F3 = C5-F4 = C5-F5 = C5-F6 = C6-F7 = C6-F8 = C6-F9 = C10-
 F10 = C10-F11 = C10-F12 = C11-F13 = C11-F14 = C11-F15 = C15-F16 = C15-F17 =
 C15-F18 = C16-F19 = C16-F20 = C16-F21 = C20-F22 = C20-F23 = C20-F24 = C21-F25 =
  C21-F26 = C21-F27 = C25-F28 = C25-F29 = C25-F30 = C26-F31 = C26-F32 = C26-F33
 = C30-F34 = C30-F35 = C30-F36 = C1-F1' = C1-F2' = C1-F3' = C5-F4' = C5-F5' =
 C5-F6' = C6-F7' = C6-F8' = C6-F9' = C10-F10' = C10-F11' = C10-F12' = C11-F13' =
  C11-F14' = C11-F15' = C15-F16' = C15-F17' = C15-F18' = C16-F19' = C16-F20' =
 C16-F21' = C20-F22' = C20-F23' = C20-F24' = C21-F25' = C21-F26' = C21-F27' =
 C25-F28' = C25-F29' = C25-F30' = C26-F31' = C26-F32' = C26-F33' = C30-F34' =
 C30-F35' = C30-F36'
 1.33 with sigma of 0.01
 F1-F2 = F1-F3 = F2-F3 = F4-F5 = F4-F6 = F5-F6 = F7-F8 = F7-F9 = F8-F9 = F10-
 F11 = F10-F12 = F11-F12 = F13-F14 = F13-F15 = F14-F15 = F16-F17 = F16-F18 =
 F17-F18 = F19-F20 = F19-F20 = F20-F21 = F22-F23 = F22-F24 = F23-F24 = F25-F26 =
  F25-F27 = F26-F27 = F28-F29 = F28-F30 = F29-F30 = F31-F32 = F31-F33 = F32-F33
 = F34-F35 = F34-F36 = F35-F36 = F1'-F2' = F1'-F3' = F2'-F3' = F4'-F5' = F4'-
 F6' = F5'-F6' = F7'-F8' = F7'-F9' = F8'-F9' = F10'-F11' = F10'-F12' = F11'-
 F12' = F13'-F14' = F13'-F15' = F14'-F15' = F16'-F17' = F16'-F18' = F17'-F18' =
 F19'-F20' = F19'-F20' = F20'-F21' = F22'-F23' = F22'-F24' = F23'-F24' = F25'-
 F26' = F25'-F27' = F26'-F27' = F28'-F29' = F28'-F30' = F29'-F30' = F31'-F32' =
 F31'-F33' = F32'-F33' = F34'-F35' = F34'-F36' = F35'-F36'
 2.13 with sigma of 0.01
 C31-C32 = C35-C36 = C37-C38 = C41-C42
 1.5 with sigma of 0.01
 S1-C32 = S1-C35 = S2-C38 = S2-C41
 1.74 with sigma of 0.01
 C32-C33 = C34-C35 = C38-C39 = C40-C41
 1.37 with sigma of 0.01
 C33-C34 = C39-C40
 1.43 with sigma of 0.01
 S1-C33 = S1-C34 = S2-C39 = S2-C40
 2.58 with sigma of 0.01
 C32-C35 = C38-C41
 2.49 with sigma of 0.01
 C32-C34 = C33-C35 = C38-C40 = C39-C41
 2.33 with sigma of 0.01
 C2-F1 \\sim C2-F2 \\sim C2-F3 \\sim C4-F4 \\sim C4-F5 \\sim C4-F6 \\sim C7-F7
\\sim C7-F8 \\sim C7-F9 \\sim C9-
 F10 \\sim C9-F11 \\sim C9-F12 \\sim C12-F13 \\sim C12-F14 \\sim C12-F15 \\sim
C14-F16 \\sim C14-F17 \\sim C14-
 F18 \\sim C17-F19 \\sim C17-F20 \\sim C17-F21 \\sim C19-F22 \\sim C19-F23
\\sim C19-F24 \\sim C22-F25 ~
 C22-F26 \\sim C22-F27 \\sim C24-F28 \\sim C24-F29 \\sim C24-F30 \\sim C27-F31
\\sim C27-F32 \\sim C27-F33
 \\sim C29-F34 \\sim C29-F35 \\sim C29-F36 \\sim C2-F1' \\sim C2-F2' \\sim
C2-F3' \\sim C4-F4' \\sim C4-F5' ~
 C4-F6' \\sim C7-F7' \\sim C7-F8' \\sim C7-F9' \\sim C9-F10' \\sim C9-F11'
\\sim C9-F12' \\sim C12-F13' ~
 C12-F14' \\sim C12-F15' \\sim C14-F16' \\sim C14-F17' \\sim C14-F18' \\sim
C17-F19' \\sim C17-F20' ~
 C17-F21' \\sim C19-F22' \\sim C19-F23' \\sim C19-F24' \\sim C22-F25' \\sim
C22-F26' \\sim C22-F27' ~
 C24-F28' \\sim C24-F29' \\sim C24-F30' \\sim C27-F31' \\sim C27-F32' \\sim
C27-F33' \\sim C29-F34' ~
 C29-F35' \\sim C29-F36'
 with sigma of 0.01
3. Restrained planarity
 S1, C31, C32, C33, C34, C35, C36
 with sigma of 0.01
 S2, C37, C38, C39, C40, C41, C42
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F4) \\sim
Ueq, Uanis(F5) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8)
\\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq,
Uanis(F12) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F15)
\\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq,
Uanis(F19) \\sim Ueq, Uanis(F20) \\sim Ueq, Uanis(F21) \\sim Ueq, Uanis(F22)
\\sim Ueq, Uanis(F23) \\sim Ueq, Uanis(F24) \\sim Ueq, Uanis(F25) \\sim Ueq,
Uanis(F26) \\sim Ueq, Uanis(F27) \\sim Ueq, Uanis(F28) \\sim Ueq, Uanis(F29)
\\sim Ueq, Uanis(F30) \\sim Ueq, Uanis(F31) \\sim Ueq, Uanis(F32) \\sim Ueq,
Uanis(F33) \\sim Ueq, Uanis(F34) \\sim Ueq, Uanis(F35) \\sim Ueq, Uanis(F36)
\\sim Ueq, Uanis(F1') \\sim Ueq, Uanis(F2') \\sim Ueq, Uanis(F3') \\sim Ueq,
Uanis(F4') \\sim Ueq, Uanis(F5') \\sim Ueq, Uanis(F6') \\sim Ueq, Uanis(F7')
\\sim Ueq, Uanis(F8') \\sim Ueq, Uanis(F9') \\sim Ueq, Uanis(F10') \\sim Ueq,
Uanis(F11') \\sim Ueq, Uanis(F12') \\sim Ueq, Uanis(F13') \\sim Ueq,
Uanis(F14') \\sim Ueq, Uanis(F15') \\sim Ueq, Uanis(F16') \\sim Ueq,
Uanis(F17') \\sim Ueq, Uanis(F18') \\sim Ueq, Uanis(F19') \\sim Ueq,
Uanis(F20') \\sim Ueq, Uanis(F21') \\sim Ueq, Uanis(F22') \\sim Ueq,
Uanis(F23') \\sim Ueq, Uanis(F24') \\sim Ueq, Uanis(F25') \\sim Ueq,
Uanis(F26') \\sim Ueq, Uanis(F27') \\sim Ueq, Uanis(F28') \\sim Ueq,
Uanis(F29') \\sim Ueq, Uanis(F30') \\sim Ueq, Uanis(F31') \\sim Ueq,
Uanis(F32') \\sim Ueq, Uanis(F33') \\sim Ueq, Uanis(F34') \\sim Ueq,
Uanis(F35') \\sim Ueq, Uanis(F36') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F1) = Uanis(F1')
Uanis(F2) = Uanis(F2')
Uanis(F3) = Uanis(F3')
Uanis(F4) = Uanis(F4')
Uanis(F5) = Uanis(F5')
Uanis(F6) = Uanis(F6')
Uanis(F7) = Uanis(F7')
Uanis(F8) = Uanis(F8')
Uanis(F9) = Uanis(F9')
Uanis(F10) = Uanis(F10')
Uanis(F11) = Uanis(F11')
Uanis(F12) = Uanis(F12')
Uanis(F13) = Uanis(F13')
Uanis(F14) = Uanis(F14')
Uanis(F15) = Uanis(F15')
Uanis(F16) = Uanis(F16')
Uanis(F17) = Uanis(F17')
Uanis(F18) = Uanis(F18')
Uanis(F19) = Uanis(F19')
Uanis(F20) = Uanis(F20')
Uanis(F21) = Uanis(F21')
Uanis(F22) = Uanis(F22')
Uanis(F23) = Uanis(F23')
Uanis(F24) = Uanis(F24')
Uanis(F25) = Uanis(F25')
Uanis(F26) = Uanis(F26')
Uanis(F27) = Uanis(F27')
Uanis(F28) = Uanis(F28')
Uanis(F29) = Uanis(F29')
Uanis(F30) = Uanis(F30')
Uanis(F31) = Uanis(F31')
Uanis(F32) = Uanis(F32')
Uanis(F33) = Uanis(F33')
Uanis(F34) = Uanis(F34')
Uanis(F35) = Uanis(F35')
Uanis(F36) = Uanis(F36')
5. Others
 Fixed Sof: F1(0.5) F2(0.5) F3(0.5) F4(0.5) F5(0.5) F6(0.5) F7(0.5) F8(0.5)
 F9(0.5) F10(0.5) F11(0.5) F12(0.5) F13(0.5) F14(0.5) F15(0.5) F16(0.5)
 F17(0.5) F18(0.5) F19(0.5) F20(0.5) F21(0.5) F22(0.5) F23(0.5) F24(0.5)
 F25(0.5) F26(0.5) F27(0.5) F28(0.5) F29(0.5) F30(0.5) F31(0.5) F32(0.5)
 F33(0.5) F34(0.5) F35(0.5) F36(0.5) F1'(0.5) F2'(0.5) F3'(0.5) F4'(0.5)
 F5'(0.5) F6'(0.5) F7'(0.5) F8'(0.5) F9'(0.5) F10'(0.5) F11'(0.5) F12'(0.5)
 F13'(0.5) F14'(0.5) F15'(0.5) F16'(0.5) F17'(0.5) F18'(0.5) F19'(0.5)
 F20'(0.5) F21'(0.5) F22'(0.5) F23'(0.5) F24'(0.5) F25'(0.5) F26'(0.5)
 F27'(0.5) F28'(0.5) F29'(0.5) F30'(0.5) F31'(0.5) F32'(0.5) F33'(0.5)
 F34'(0.5) F35'(0.5) F36'(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C13(H13), C18(H18), C23(H23), C28(H28), C33(H33), C34(H34),
 C39(H39), C40(H40)
6.b Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C42(H42A,H42B,
 H42C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.16732(3) 0.50279(4) 0.47719(3) 0.0958(2) Uani 1 1 d . . . . .
Ag2 Ag 0.25008(3) 0.28507(4) 0.50003(2) 0.07984(18) Uani 1 1 d . . . . .
Ag3 Ag 0.33073(4) 0.50758(4) 0.51586(3) 0.1002(2) Uani 1 1 d . . . . .
Ag4 Ag 0.16643(2) 0.30275(4) 0.22370(3) 0.07650(18) Uani 1 1 d . . . . .
Ag5 Ag 0.26608(2) 0.10944(4) 0.27282(3) 0.08289(19) Uani 1 1 d . . . . .
Ag6 Ag 0.32562(2) 0.34258(5) 0.24421(3) 0.08244(19) Uani 1 1 d . . . . .
S1 S 0.31993(16) 0.4783(3) 0.37712(13) 0.1439(11) Uani 1 1 d D . . . .
S2 S 0.17364(16) 0.0191(2) 0.11454(12) 0.1371(10) Uani 1 1 d D . . . .
F1 F 0.0244(6) 0.4714(9) 0.3544(5) 0.171(5) Uani 0.5 1 d D U P A 1
F2 F 0.0158(6) 0.4938(9) 0.4402(5) 0.180(6) Uani 0.5 1 d D U P A 1
F3 F -0.0447(3) 0.3879(10) 0.3823(6) 0.170(5) Uani 0.5 1 d D U P A 1
F4 F 0.1919(5) 0.0870(9) 0.4341(7) 0.172(5) Uani 0.5 1 d D U P B 1
F5 F 0.1451(7) 0.0662(8) 0.5010(4) 0.162(5) Uani 0.5 1 d D U P B 1
F6 F 0.0966(6) 0.0360(6) 0.4113(6) 0.187(5) Uani 0.5 1 d D U P B 1
F7 F 0.3542(7) 0.0690(8) 0.5058(5) 0.187(5) Uani 0.5 1 d D U P C 1
F8 F 0.3104(5) 0.0983(9) 0.5738(7) 0.197(6) Uani 0.5 1 d D U P C 1
F9 F 0.4059(6) 0.0477(7) 0.5954(6) 0.188(5) Uani 0.5 1 d D U P C 1
F10 F 0.5294(6) 0.4155(11) 0.6417(6) 0.198(6) Uani 0.5 1 d D U P D 1
F11 F 0.5187(7) 0.4455(12) 0.5518(6) 0.197(6) Uani 0.5 1 d D U P D 1
F12 F 0.4612(6) 0.5236(7) 0.5970(8) 0.198(5) Uani 0.5 1 d D U P D 1
F13 F 0.3787(7) 0.7548(15) 0.4567(6) 0.214(6) Uani 0.5 1 d D U P E 1
F14 F 0.4036(5) 0.7053(13) 0.5450(8) 0.243(7) Uani 0.5 1 d D U P E 1
F15 F 0.3780(7) 0.8586(8) 0.5253(9) 0.220(6) Uani 0.5 1 d D U P E 1
F16 F 0.0985(6) 0.6884(10) 0.5063(9) 0.214(6) Uani 0.5 1 d D U P F 1
F17 F 0.0967(6) 0.7711(16) 0.4290(5) 0.223(6) Uani 0.5 1 d D U P F 1
F18 F 0.1215(6) 0.8449(9) 0.5112(7) 0.218(6) Uani 0.5 1 d D U P F 1
F19 F 0.0177(5) 0.2746(8) 0.2753(6) 0.148(5) Uani 0.5 1 d D U P G 1
F20 F -0.0365(3) 0.1600(8) 0.2205(5) 0.148(4) Uani 0.5 1 d D U P G 1
F21 F 0.0183(5) 0.2664(9) 0.1890(5) 0.130(4) Uani 0.5 1 d D U P G 1
F22 F 0.1233(5) -0.1622(6) 0.2900(6) 0.156(5) Uani 0.5 1 d D U P H 1
F23 F 0.2018(6) -0.1180(8) 0.2586(6) 0.157(4) Uani 0.5 1 d D U P H 1
F24 F 0.2026(5) -0.0870(9) 0.3459(4) 0.159(5) Uani 0.5 1 d D U P H 1
F25 F 0.3509(5) -0.0238(10) 0.3601(6) 0.178(5) Uani 0.5 1 d D U P I 1
F26 F 0.3941(8) -0.0985(7) 0.3017(6) 0.205(6) Uani 0.5 1 d D U P I 1
F27 F 0.4497(5) -0.0474(9) 0.3851(5) 0.180(5) Uani 0.5 1 d D U P I 1
F28 F 0.4672(6) 0.3142(10) 0.2119(4) 0.156(4) Uani 0.5 1 d D U P J 1
F29 F 0.5476(3) 0.2745(10) 0.2822(7) 0.173(5) Uani 0.5 1 d D U P J 1
F30 F 0.4778(6) 0.3794(6) 0.2938(6) 0.160(4) Uani 0.5 1 d D U P J 1
F31 F 0.3758(4) 0.5419(8) 0.1972(6) 0.148(4) Uani 0.5 1 d D U P K 1
F32 F 0.3301(5) 0.6830(8) 0.1721(6) 0.177(5) Uani 0.5 1 d D U P K 1
F33 F 0.3501(6) 0.6364(11) 0.2605(4) 0.181(5) Uani 0.5 1 d D U P K 1
F34 F 0.0769(5) 0.5994(8) 0.1174(6) 0.171(5) Uani 0.5 1 d D U P L 1
F35 F 0.0730(4) 0.5168(10) 0.1944(5) 0.150(4) Uani 0.5 1 d D U P L 1
F36 F 0.0775(5) 0.4375(8) 0.1184(5) 0.162(5) Uani 0.5 1 d D U P L 1
F1' F 0.0356(6) 0.5061(7) 0.3854(7) 0.171(5) Uani 0.5 1 d D U P A 2
F2' F -0.0147(6) 0.4464(11) 0.4435(5) 0.180(6) Uani 0.5 1 d D U P A 2
F3' F -0.0339(4) 0.3921(10) 0.3562(5) 0.170(5) Uani 0.5 1 d D U P A 2
F4' F 0.1724(6) 0.0775(9) 0.4103(6) 0.172(5) Uani 0.5 1 d D U P B 2
F5' F 0.1726(7) 0.0794(8) 0.4996(4) 0.162(5) Uani 0.5 1 d D U P B 2
F6' F 0.0893(6) 0.0329(6) 0.4345(7) 0.187(5) Uani 0.5 1 d D U P B 2
F7' F 0.3245(6) 0.0841(8) 0.5088(5) 0.187(5) Uani 0.5 1 d D U P C 2
F8' F 0.3337(7) 0.0901(9) 0.5999(6) 0.197(6) Uani 0.5 1 d D U P C 2
F9' F 0.4118(5) 0.0415(6) 0.5676(7) 0.188(5) Uani 0.5 1 d D U P C 2
F10' F 0.5447(3) 0.4021(10) 0.6022(9) 0.198(6) Uani 0.5 1 d D U P D 2
F11' F 0.4755(7) 0.5146(8) 0.5619(7) 0.197(6) Uani 0.5 1 d D U P D 2
F12' F 0.4841(8) 0.4642(12) 0.6488(5) 0.198(5) Uani 0.5 1 d D U P D 2
F13' F 0.3958(6) 0.6969(10) 0.4881(10) 0.214(6) Uani 0.5 1 d D U P E 2
F14' F 0.3945(6) 0.7804(17) 0.5639(5) 0.243(7) Uani 0.5 1 d D U P E 2
F15' F 0.3697(6) 0.8524(9) 0.4810(8) 0.220(6) Uani 0.5 1 d D U P E 2
F16' F 0.1158(6) 0.7448(15) 0.5374(5) 0.214(6) Uani 0.5 1 d D U P F 2
F17' F 0.0897(5) 0.6921(12) 0.4498(8) 0.223(6) Uani 0.5 1 d D U P F 2
F18' F 0.1105(6) 0.8478(8) 0.4669(9) 0.218(6) Uani 0.5 1 d D U P F 2
F19' F 0.0370(5) 0.3033(5) 0.2543(7) 0.148(5) Uani 0.5 1 d D U P G 2
F20' F -0.0265(4) 0.1852(9) 0.2597(5) 0.148(4) Uani 0.5 1 d D U P G 2
F21' F -0.0042(5) 0.2217(10) 0.1788(4) 0.130(4) Uani 0.5 1 d D U P G 2
F22' F 0.1359(6) -0.1391(7) 0.3267(5) 0.156(5) Uani 0.5 1 d D U P H 2
F23' F 0.1591(7) -0.1492(7) 0.2450(5) 0.157(4) Uani 0.5 1 d D U P H 2
F24' F 0.2243(4) -0.0849(9) 0.3188(6) 0.159(5) Uani 0.5 1 d D U P H 2
F25' F 0.3841(7) -0.0114(9) 0.3884(5) 0.178(5) Uani 0.5 1 d D U P I 2
F26' F 0.3540(6) -0.0755(8) 0.3039(6) 0.205(6) Uani 0.5 1 d D U P I 2
F27' F 0.4508(5) -0.0833(8) 0.3491(7) 0.180(5) Uani 0.5 1 d D U P I 2
F28' F 0.5206(6) 0.2531(9) 0.2316(5) 0.156(4) Uani 0.5 1 d D U P J 2
F29' F 0.5360(4) 0.3168(10) 0.3159(4) 0.173(5) Uani 0.5 1 d D U P J 2
F30' F 0.4602(5) 0.3710(7) 0.2466(7) 0.160(4) Uani 0.5 1 d D U P J 2
F31' F 0.3777(3) 0.5481(9) 0.2381(6) 0.148(4) Uani 0.5 1 d D U P K 2
F32' F 0.3463(6) 0.6242(11) 0.1562(5) 0.177(5) Uani 0.5 1 d D U P K 2
F33' F 0.3316(6) 0.6907(8) 0.2328(7) 0.181(5) Uani 0.5 1 d D U P K 2
F34' F 0.0779(5) 0.6169(7) 0.1540(6) 0.171(5) Uani 0.5 1 d D U P L 2
F35' F 0.0711(4) 0.4649(9) 0.1809(6) 0.150(4) Uani 0.5 1 d D U P L 2
F36' F 0.0787(5) 0.4937(11) 0.0951(4) 0.162(5) Uani 0.5 1 d D U P L 2
N1 N 0.1205(3) 0.3673(4) 0.4490(2) 0.0783(16) Uani 1 1 d . . . . .
N2 N 0.1531(3) 0.2800(4) 0.4612(2) 0.0756(15) Uani 1 1 d . . . . .
N3 N 0.3471(3) 0.2863(4) 0.5388(3) 0.0801(16) Uani 1 1 d . . . . .
N4 N 0.3787(3) 0.3747(5) 0.5476(3) 0.0842(17) Uani 1 1 d . . . . .
N5 N 0.2783(5) 0.6422(5) 0.4981(3) 0.108(2) Uani 1 1 d . . . . .
N6 N 0.2167(5) 0.6402(4) 0.4931(3) 0.108(3) Uani 1 1 d . . . . .
N7 N 0.1307(3) 0.1687(4) 0.2496(2) 0.0732(14) Uani 1 1 d . . . . .
N8 N 0.1696(2) 0.0899(5) 0.2644(2) 0.0771(15) Uani 1 1 d . . . . .
N9 N 0.3629(3) 0.1339(5) 0.2892(3) 0.0841(17) Uani 1 1 d . . . . .
N10 N 0.3864(2) 0.2191(5) 0.2715(3) 0.0792(16) Uani 1 1 d . . . . .
N11 N 0.2614(3) 0.4588(4) 0.2099(3) 0.0771(15) Uani 1 1 d . . . . .
N12 N 0.1985(2) 0.4378(4) 0.1955(3) 0.0745(15) Uani 1 1 d . . . . .
C1 C 0.0132(4) 0.4222(7) 0.4008(4) 0.150(5) Uani 1 1 d D . . . .
C2 C 0.0606(3) 0.3425(5) 0.4210(3) 0.097(2) Uani 1 1 d D . . . .
C3 C 0.0548(5) 0.2388(8) 0.4140(4) 0.121(3) Uani 1 1 d . . . . .
H3 H 0.0189 0.2017 0.3960 0.146 Uiso 1 1 calc R . . . .
C4 C 0.1139(3) 0.2039(4) 0.4398(3) 0.101(3) Uani 1 1 d D . . . .
C5 C 0.1366(4) 0.0993(6) 0.4465(3) 0.135(4) Uani 1 1 d D . . . .
C6 C 0.3647(4) 0.1073(6) 0.5592(4) 0.155(5) Uani 1 1 d D . . . .
C7 C 0.3871(3) 0.2126(4) 0.5618(4) 0.105(3) Uani 1 1 d D . . . .
C8 C 0.4459(5) 0.2511(9) 0.5850(5) 0.136(4) Uani 1 1 d . . . . .
H8 H 0.4825 0.2161 0.6036 0.163 Uiso 1 1 calc R . . . .
C9 C 0.4392(3) 0.3528(6) 0.5750(4) 0.112(3) Uani 1 1 d D . . . .
C10 C 0.4856(4) 0.4329(7) 0.5936(4) 0.186(6) Uani 1 1 d D . . . .
C11 C 0.3631(5) 0.7646(6) 0.5075(4) 0.197(8) Uani 1 1 d D . . . .
C12 C 0.2972(4) 0.7394(6) 0.5013(4) 0.138(4) Uani 1 1 d D . . . .
C13 C 0.2448(7) 0.7990(7) 0.4956(5) 0.161(6) Uani 1 1 d . . . . .
H13 H 0.2435 0.8693 0.4955 0.193 Uiso 1 1 calc R . . . .
C14 C 0.1953(4) 0.7353(6) 0.4900(4) 0.129(4) Uani 1 1 d D . . . .
C15 C 0.1292(5) 0.7570(5) 0.4853(4) 0.181(7) Uani 1 1 d D . . . .
C16 C 0.0195(3) 0.2079(6) 0.2349(3) 0.107(3) Uani 1 1 d D . . . .
C17 C 0.0725(3) 0.1390(5) 0.2501(3) 0.0807(19) Uani 1 1 d D . . . .
C18 C 0.0737(4) 0.0401(7) 0.2657(4) 0.097(2) Uani 1 1 d . . . . .
H18 H 0.0398 0.0011 0.2695 0.117 Uiso 1 1 calc R . . . .
C19 C 0.1348(3) 0.0095(4) 0.2744(3) 0.087(2) Uani 1 1 d D . . . .
C20 C 0.1641(4) -0.0889(6) 0.2912(3) 0.126(3) Uani 1 1 d D . . . .
C21 C 0.4017(3) -0.0220(7) 0.3393(4) 0.153(5) Uani 1 1 d D . . . .
C22 C 0.4120(3) 0.0740(5) 0.3136(3) 0.100(3) Uani 1 1 d D . . . .
C23 C 0.4676(4) 0.1190(8) 0.3122(4) 0.121(3) Uani 1 1 d . . . . .
H23 H 0.5084 0.0938 0.3266 0.145 Uiso 1 1 calc R . . . .
C24 C 0.4497(3) 0.2099(5) 0.2848(3) 0.095(2) Uani 1 1 d D . . . .
C25 C 0.4881(3) 0.2899(7) 0.2696(3) 0.127(4) Uani 1 1 d D . . . .
C26 C 0.3302(4) 0.6018(6) 0.2056(3) 0.126(3) Uani 1 1 d D . . . .
C27 C 0.2691(3) 0.5526(5) 0.1943(3) 0.088(2) Uani 1 1 d D . . . .
C28 C 0.2108(4) 0.5963(6) 0.1694(4) 0.111(3) Uani 1 1 d . . . . .
H28 H 0.2022 0.6617 0.1551 0.133 Uiso 1 1 calc R . . . .
C29 C 0.1688(2) 0.5198(5) 0.1707(3) 0.089(2) Uani 1 1 d D . . . .
C30 C 0.0990(4) 0.5214(5) 0.1499(3) 0.128(4) Uani 1 1 d D . . . .
C31 C 0.2011(7) 0.5691(11) 0.3374(3) 0.225(9) Uani 1 1 d D . . . .
H31A H 0.1584 0.5530 0.3165 0.337 Uiso 1 1 calc GR . . . .
H31B H 0.2203 0.6091 0.3131 0.337 Uiso 1 1 calc GR . . . .
H31C H 0.2009 0.6065 0.3720 0.337 Uiso 1 1 calc GR . . . .
C32 C 0.2378(4) 0.4736(9) 0.35395(19) 0.142(4) Uani 1 1 d D . . . .
C33 C 0.2173(4) 0.3767(10) 0.3543(3) 0.153(6) Uani 1 1 d D . . . .
H33 H 0.1749 0.3586 0.3435 0.184 Uiso 1 1 calc R . . . .
C34 C 0.2674(6) 0.3059(7) 0.3730(3) 0.147(5) Uani 1 1 d D . . . .
H34 H 0.2610 0.2367 0.3754 0.177 Uiso 1 1 calc R . . . .
C35 C 0.3256(5) 0.3500(6) 0.3868(2) 0.138(4) Uani 1 1 d D . . . .
C36 C 0.3895(5) 0.3019(11) 0.4082(3) 0.177(6) Uani 1 1 d D . . . .
H36A H 0.3845 0.2307 0.4136 0.265 Uiso 1 1 calc GR . . . .
H36B H 0.4115 0.3320 0.4447 0.265 Uiso 1 1 calc GR . . . .
H36C H 0.4132 0.3121 0.3800 0.265 Uiso 1 1 calc GR . . . .
C37 C 0.1017(4) 0.1927(10) 0.0861(3) 0.160(5) Uani 1 1 d D . . . .
H37A H 0.1048 0.2651 0.0870 0.239 Uiso 1 1 calc GR . . . .
H37B H 0.0759 0.1710 0.1108 0.239 Uiso 1 1 calc GR . . . .
H37C H 0.0829 0.1707 0.0468 0.239 Uiso 1 1 calc GR . . . .
C38 C 0.1663(4) 0.1478(5) 0.10738(19) 0.113(3) Uani 1 1 d D . . . .
C39 C 0.2250(5) 0.1927(6) 0.1235(3) 0.120(4) Uani 1 1 d D . . . .
H39 H 0.2310 0.2622 0.1227 0.144 Uiso 1 1 calc R . . . .
C40 C 0.2746(4) 0.1236(8) 0.1410(3) 0.123(4) Uani 1 1 d D . . . .
H40 H 0.3168 0.1429 0.1529 0.147 Uiso 1 1 calc R . . . .
C41 C 0.2553(4) 0.0251(7) 0.1390(2) 0.133(4) Uani 1 1 d D . . . .
C42 C 0.2954(8) -0.0669(11) 0.1547(4) 0.221(8) Uani 1 1 d D . . . .
H42A H 0.3385 -0.0471 0.1719 0.332 Uiso 1 1 calc GR . . . .
H42B H 0.2932 -0.1061 0.1202 0.332 Uiso 1 1 calc GR . . . .
H42C H 0.2805 -0.1067 0.1822 0.332 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.3697(7) . ?
Ag1 N1 2.085(6) . ?
Ag1 N6 2.099(8) . ?
Ag2 N2 2.084(6) . ?
Ag2 N3 2.084(6) . ?
Ag3 N4 2.084(6) . ?
Ag3 N5 2.101(8) . ?
Ag4 Ag5 3.3651(7) . ?
Ag4 N7 2.095(6) . ?
Ag4 N12 2.093(6) . ?
Ag5 N8 2.088(5) . ?
Ag5 N9 2.081(6) . ?
Ag6 N10 2.099(6) . ?
Ag6 N11 2.098(5) . ?
S1 C32 1.740(7) . ?
S1 C35 1.713(7) . ?
S2 C38 1.714(7) . ?
S2 C41 1.733(7) . ?
F1 C1 1.359(8) . ?
F2 C1 1.322(8) . ?
F3 C1 1.310(8) . ?
F4 C5 1.331(8) . ?
F5 C5 1.332(8) . ?
F6 C5 1.335(8) . ?
F7 C6 1.328(8) . ?
F8 C6 1.330(9) . ?
F9 C6 1.330(8) . ?
F10 C10 1.305(8) . ?
F11 C10 1.385(8) . ?
F12 C10 1.324(8) . ?
F13 C11 1.345(8) . ?
F14 C11 1.335(8) . ?
F15 C11 1.325(8) . ?
F16 C15 1.305(8) . ?
F17 C15 1.351(8) . ?
F18 C15 1.346(8) . ?
F19 C16 1.311(8) . ?
F20 C16 1.345(7) . ?
F21 C16 1.331(8) . ?
F22 C20 1.315(8) . ?
F23 C20 1.331(8) . ?
F24 C20 1.349(8) . ?
F25 C21 1.334(8) . ?
F26 C21 1.330(8) . ?
F27 C21 1.341(8) . ?
F28 C25 1.364(8) . ?
F29 C25 1.275(7) . ?
F30 C25 1.360(8) . ?
F31 C26 1.331(8) . ?
F32 C26 1.336(8) . ?
F33 C26 1.342(8) . ?
F34 C30 1.303(7) . ?
F35 C30 1.330(8) . ?
F36 C30 1.352(8) . ?
F1' C1 1.304(8) . ?
F2' C1 1.353(8) . ?
F3' C1 1.332(8) . ?
F4' C5 1.340(8) . ?
F5' C5 1.327(8) . ?
F6' C5 1.331(8) . ?
F7' C6 1.322(8) . ?
F8' C6 1.340(8) . ?
F9' C6 1.325(8) . ?
F10' C10 1.322(8) . ?
F11' C10 1.302(8) . ?
F12' C10 1.385(8) . ?
F13' C11 1.307(8) . ?
F14' C11 1.352(8) . ?
F15' C11 1.346(8) . ?
F16' C15 1.355(8) . ?
F17' C15 1.346(8) . ?
F18' C15 1.306(8) . ?
F19' C16 1.363(8) . ?
F20' C16 1.331(7) . ?
F21' C16 1.310(8) . ?
F22' C20 1.344(8) . ?
F23' C20 1.338(8) . ?
F24' C20 1.311(8) . ?
F25' C21 1.330(8) . ?
F26' C21 1.356(8) . ?
F27' C21 1.318(8) . ?
F28' C25 1.378(8) . ?
F29' C25 1.353(8) . ?
F30' C25 1.284(8) . ?
F31' C26 1.326(8) . ?
F32' C26 1.347(8) . ?
F33' C26 1.336(8) . ?
F34' C30 1.357(8) . ?
F35' C30 1.310(8) . ?
F36' C30 1.311(8) . ?
N1 N2 1.348(8) . ?
N1 C2 1.347(9) . ?
N2 C4 1.334(8) . ?
N3 N4 1.346(8) . ?
N3 C7 1.328(8) . ?
N4 C9 1.346(9) . ?
N5 N6 1.323(11) . ?
N5 C12 1.346(10) . ?
N6 C14 1.337(10) . ?
N7 N8 1.333(8) . ?
N7 C17 1.338(8) . ?
N8 C19 1.365(8) . ?
N9 N10 1.351(8) . ?
N9 C22 1.339(8) . ?
N10 C24 1.345(8) . ?
N11 N12 1.358(7) . ?
N11 C27 1.318(8) . ?
N12 C29 1.322(8) . ?
C1 C2 1.470(9) . ?
C2 C3 1.383(12) . ?
C3 C4 1.360(11) . ?
C4 C5 1.464(9) . ?
C6 C7 1.473(10) . ?
C7 C8 1.361(12) . ?
C8 C9 1.367(13) . ?
C9 C10 1.455(10) . ?
C11 C12 1.450(10) . ?
C12 C13 1.371(14) . ?
C13 C14 1.354(14) . ?
C14 C15 1.452(10) . ?
C16 C17 1.445(8) . ?
C17 C18 1.357(10) . ?
C18 C19 1.361(10) . ?
C19 C20 1.459(9) . ?
C21 C22 1.452(10) . ?
C22 C23 1.364(11) . ?
C23 C24 1.375(11) . ?
C24 C25 1.455(9) . ?
C26 C27 1.449(9) . ?
C27 C28 1.386(10) . ?
C28 C29 1.374(10) . ?
C29 C30 1.478(9) . ?
C31 C32 1.493(9) . ?
C32 C33 1.358(8) . ?
C33 C34 1.422(8) . ?
C34 C35 1.363(8) . ?
C35 C36 1.499(8) . ?
C37 C38 1.496(8) . ?
C38 C39 1.376(7) . ?
C39 C40 1.397(7) . ?
C40 C41 1.367(8) . ?
C41 C42 1.490(9) . ?

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
N1 Ag1 Ag2 61.08(16) . . ?
N1 Ag1 N6 171.4(3) . . ?
N6 Ag1 Ag2 118.7(2) . . ?
N2 Ag2 Ag1 60.86(15) . . ?
N3 Ag2 Ag1 120.53(16) . . ?
N3 Ag2 N2 178.6(2) . . ?
N4 Ag3 N5 169.8(3) . . ?
N7 Ag4 Ag5 60.97(15) . . ?
N12 Ag4 Ag5 121.09(14) . . ?
N12 Ag4 N7 177.7(2) . . ?
N8 Ag5 Ag4 60.77(17) . . ?
N9 Ag5 Ag4 118.96(18) . . ?
N9 Ag5 N8 174.6(2) . . ?
N11 Ag6 N10 174.8(2) . . ?
C35 S1 C32 92.3(3) . . ?
C38 S2 C41 92.8(3) . . ?
N2 N1 Ag1 118.6(4) . . ?
C2 N1 Ag1 134.5(5) . . ?
C2 N1 N2 106.8(5) . . ?
N1 N2 Ag2 119.2(4) . . ?
C4 N2 Ag2 132.3(4) . . ?
C4 N2 N1 108.2(5) . . ?
N4 N3 Ag2 119.9(4) . . ?
C7 N3 Ag2 131.5(5) . . ?
C7 N3 N4 108.4(6) . . ?
N3 N4 Ag3 119.1(4) . . ?
N3 N4 C9 106.8(6) . . ?
C9 N4 Ag3 134.0(5) . . ?
N6 N5 Ag3 119.5(5) . . ?
N6 N5 C12 108.5(7) . . ?
C12 N5 Ag3 130.7(7) . . ?
N5 N6 Ag1 120.0(5) . . ?
N5 N6 C14 108.8(7) . . ?
C14 N6 Ag1 130.3(7) . . ?
N8 N7 Ag4 118.4(4) . . ?
N8 N7 C17 108.2(5) . . ?
C17 N7 Ag4 133.1(4) . . ?
N7 N8 Ag5 119.4(4) . . ?
N7 N8 C19 107.9(5) . . ?
C19 N8 Ag5 132.6(5) . . ?
N10 N9 Ag5 121.7(4) . . ?
C22 N9 Ag5 130.8(5) . . ?
C22 N9 N10 107.4(5) . . ?
N9 N10 Ag6 118.8(4) . . ?
C24 N10 Ag6 132.5(5) . . ?
C24 N10 N9 107.8(5) . . ?
N12 N11 Ag6 118.7(4) . . ?
C27 N11 Ag6 132.5(4) . . ?
C27 N11 N12 108.6(5) . . ?
N11 N12 Ag4 119.9(4) . . ?
C29 N12 Ag4 132.4(4) . . ?
C29 N12 N11 107.0(5) . . ?
F1 C1 C2 110.1(7) . . ?
F2 C1 F1 104.4(8) . . ?
F2 C1 C2 112.8(7) . . ?
F3 C1 F1 105.1(8) . . ?
F3 C1 F2 110.1(8) . . ?
F3 C1 C2 113.6(7) . . ?
F1' C1 F2' 106.7(8) . . ?
F1' C1 F3' 107.5(8) . . ?
F1' C1 C2 114.5(7) . . ?
F2' C1 C2 110.3(7) . . ?
F3' C1 F2' 105.1(8) . . ?
F3' C1 C2 112.2(7) . . ?
N1 C2 C1 120.0(6) . . ?
N1 C2 C3 110.4(6) . . ?
C3 C2 C1 129.5(7) . . ?
C4 C3 C2 103.6(7) . . ?
N2 C4 C3 110.9(6) . . ?
N2 C4 C5 120.3(5) . . ?
C3 C4 C5 128.7(7) . . ?
F4 C5 F5 105.7(8) . . ?
F4 C5 F6 105.7(8) . . ?
F4 C5 C4 113.2(7) . . ?
F5 C5 F6 107.7(8) . . ?
F5 C5 C4 111.9(7) . . ?
F6 C5 C4 112.1(7) . . ?
F4' C5 C4 111.9(7) . . ?
F5' C5 F4' 105.3(8) . . ?
F5' C5 F6' 108.0(8) . . ?
F5' C5 C4 113.0(7) . . ?
F6' C5 F4' 106.0(8) . . ?
F6' C5 C4 112.1(7) . . ?
F7 C6 F8 105.9(8) . . ?
F7 C6 F9 107.9(8) . . ?
F7 C6 C7 111.9(7) . . ?
F8 C6 C7 112.7(7) . . ?
F9 C6 F8 106.3(8) . . ?
F9 C6 C7 111.8(7) . . ?
F7' C6 F8' 105.8(8) . . ?
F7' C6 F9' 106.8(8) . . ?
F7' C6 C7 113.1(7) . . ?
F8' C6 C7 111.0(7) . . ?
F9' C6 F8' 107.7(8) . . ?
F9' C6 C7 112.1(7) . . ?
N3 C7 C6 120.0(6) . . ?
N3 C7 C8 110.2(6) . . ?
C8 C7 C6 129.8(7) . . ?
C7 C8 C9 104.4(7) . . ?
N4 C9 C8 110.1(6) . . ?
N4 C9 C10 120.8(6) . . ?
C8 C9 C10 128.9(7) . . ?
F10 C10 F11 104.2(8) . . ?
F10 C10 F12 108.8(8) . . ?
F10 C10 C9 115.6(7) . . ?
F11 C10 C9 109.1(7) . . ?
F12 C10 F11 103.3(8) . . ?
F12 C10 C9 114.6(7) . . ?
F10' C10 F12' 102.3(7) . . ?
F10' C10 C9 113.7(7) . . ?
F11' C10 F10' 110.8(9) . . ?
F11' C10 F12' 104.9(8) . . ?
F11' C10 C9 115.4(7) . . ?
F12' C10 C9 108.4(7) . . ?
F13 C11 C12 111.7(7) . . ?
F14 C11 F13 105.0(9) . . ?
F14 C11 C12 113.7(7) . . ?
F15 C11 F13 106.1(8) . . ?
F15 C11 F14 105.8(8) . . ?
F15 C11 C12 113.8(8) . . ?
F13' C11 F14' 105.8(9) . . ?
F13' C11 F15' 106.8(8) . . ?
F13' C11 C12 115.6(7) . . ?
F14' C11 C12 111.7(7) . . ?
F15' C11 F14' 103.9(8) . . ?
F15' C11 C12 112.2(7) . . ?
N5 C12 C11 120.7(7) . . ?
N5 C12 C13 107.7(8) . . ?
C13 C12 C11 131.6(8) . . ?
C14 C13 C12 106.4(8) . . ?
N6 C14 C13 108.5(8) . . ?
N6 C14 C15 121.3(7) . . ?
C13 C14 C15 130.0(8) . . ?
F16 C15 F17 106.5(9) . . ?
F16 C15 F18 106.6(8) . . ?
F16 C15 C14 115.9(7) . . ?
F17 C15 C14 111.1(7) . . ?
F18 C15 F17 103.7(8) . . ?
F18 C15 C14 112.2(7) . . ?
F16' C15 C14 110.9(7) . . ?
F17' C15 F16' 103.8(8) . . ?
F17' C15 C14 112.7(7) . . ?
F18' C15 F16' 106.8(8) . . ?
F18' C15 F17' 106.5(8) . . ?
F18' C15 C14 115.2(8) . . ?
F19 C16 F20 107.4(6) . . ?
F19 C16 F21 102.2(11) . . ?
F19 C16 C17 114.7(7) . . ?
F20 C16 C17 112.7(6) . . ?
F21 C16 F20 104.2(7) . . ?
F21 C16 C17 114.4(7) . . ?
F19' C16 C17 111.3(6) . . ?
F20' C16 F19' 103.7(6) . . ?
F20' C16 C17 113.6(6) . . ?
F21' C16 F19' 102.6(11) . . ?
F21' C16 F20' 109.7(7) . . ?
F21' C16 C17 114.9(7) . . ?
N7 C17 C16 121.1(5) . . ?
N7 C17 C18 109.6(5) . . ?
C18 C17 C16 129.3(6) . . ?
C17 C18 C19 106.0(6) . . ?
N8 C19 C20 121.1(5) . . ?
C18 C19 N8 108.3(5) . . ?
C18 C19 C20 130.6(6) . . ?
F22 C20 F23 107.3(8) . . ?
F22 C20 F24 106.5(7) . . ?
F22 C20 C19 113.8(7) . . ?
F23 C20 F24 103.8(7) . . ?
F23 C20 C19 113.2(6) . . ?
F24 C20 C19 111.4(7) . . ?
F22' C20 C19 111.8(7) . . ?
F23' C20 F22' 105.5(7) . . ?
F23' C20 C19 111.9(6) . . ?
F24' C20 F22' 106.0(7) . . ?
F24' C20 F23' 106.7(8) . . ?
F24' C20 C19 114.4(7) . . ?
F25 C21 F27 104.3(8) . . ?
F25 C21 C22 114.2(6) . . ?
F26 C21 F25 105.4(8) . . ?
F26 C21 F27 106.7(7) . . ?
F26 C21 C22 112.9(7) . . ?
F27 C21 C22 112.6(7) . . ?
F25' C21 F26' 104.0(8) . . ?
F25' C21 C22 113.0(7) . . ?
F26' C21 C22 112.1(7) . . ?
F27' C21 F25' 108.7(8) . . ?
F27' C21 F26' 104.5(8) . . ?
F27' C21 C22 113.7(7) . . ?
N9 C22 C21 120.2(6) . . ?
N9 C22 C23 110.7(6) . . ?
C23 C22 C21 129.0(6) . . ?
C22 C23 C24 104.3(6) . . ?
N10 C24 C23 109.8(6) . . ?
N10 C24 C25 120.3(6) . . ?
C23 C24 C25 129.9(6) . . ?
F28 C25 C24 110.9(6) . . ?
F29 C25 F28 108.9(7) . . ?
F29 C25 F30 108.3(8) . . ?
F29 C25 C24 116.7(7) . . ?
F30 C25 F28 99.8(7) . . ?
F30 C25 C24 110.9(6) . . ?
F28' C25 C24 109.7(6) . . ?
F29' C25 F28' 101.6(6) . . ?
F29' C25 C24 111.5(6) . . ?
F30' C25 F28' 106.6(8) . . ?
F30' C25 F29' 107.9(8) . . ?
F30' C25 C24 118.1(6) . . ?
F31 C26 F32 105.8(7) . . ?
F31 C26 F33 106.5(8) . . ?
F31 C26 C27 113.5(6) . . ?
F32 C26 F33 104.7(7) . . ?
F32 C26 C27 113.2(7) . . ?
F33 C26 C27 112.4(7) . . ?
F31' C26 F32' 106.2(8) . . ?
F31' C26 F33' 106.0(8) . . ?
F31' C26 C27 114.4(6) . . ?
F32' C26 C27 112.3(7) . . ?
F33' C26 F32' 104.5(7) . . ?
F33' C26 C27 112.7(7) . . ?
N11 C27 C26 123.5(5) . . ?
N11 C27 C28 109.9(6) . . ?
C28 C27 C26 126.5(6) . . ?
C29 C28 C27 103.4(6) . . ?
N12 C29 C28 111.1(5) . . ?
N12 C29 C30 120.4(5) . . ?
C28 C29 C30 128.5(6) . . ?
F34 C30 F35 109.6(7) . . ?
F34 C30 F36 107.5(8) . . ?
F34 C30 C29 113.6(7) . . ?
F35 C30 F36 104.0(7) . . ?
F35 C30 C29 110.9(7) . . ?
F36 C30 C29 110.7(6) . . ?
F34' C30 C29 109.4(7) . . ?
F35' C30 F34' 105.8(7) . . ?
F35' C30 F36' 108.1(8) . . ?
F35' C30 C29 113.5(6) . . ?
F36' C30 F34' 107.3(7) . . ?
F36' C30 C29 112.3(7) . . ?
C31 C32 S1 119.6(10) . . ?
C33 C32 S1 110.4(5) . . ?
C33 C32 C31 130.0(11) . . ?
C32 C33 C34 113.2(6) . . ?
C35 C34 C33 113.0(6) . . ?
C34 C35 S1 111.1(5) . . ?
C34 C35 C36 129.2(10) . . ?
C36 C35 S1 119.6(9) . . ?
C37 C38 S2 118.9(8) . . ?
C39 C38 S2 110.1(5) . . ?
C39 C38 C37 131.0(8) . . ?
C38 C39 C40 113.5(5) . . ?
C41 C40 C39 113.8(5) . . ?
C40 C41 S2 109.8(5) . . ?
C40 C41 C42 127.8(10) . . ?
C42 C41 S2 122.5(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
