# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1974330'
loop_
_audit_author_name
_audit_author_address
'XuRan Chen'
;Soochow university
China
;
_audit_update_record             
;
2019-12-27 deposited with the CCDC.	2020-02-20 downloaded from the CCDC.
;
_audit_creation_date             2019-12-27
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.10.11 svn.r3662 for OlexSys, GUI svn.r5962)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C78 H78 Ag12 F36 N6 O24 S6, H4 O2, 3(C4 H6 N2)'
_chemical_formula_sum            'C90 H100 Ag12 F36 N12 O26 S6'
_chemical_formula_weight         3936.61
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   20.9281(12)
_cell_length_b                   22.1548(12)
_cell_length_c                   28.9986(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13445.4(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9409
_cell_measurement_temperature    190
_cell_measurement_theta_max      28.0404
_cell_measurement_theta_min      2.4966
_shelx_estimated_absorpt_T_max   0.832
_shelx_estimated_absorpt_T_min   0.597
_exptl_absorpt_coefficient_mu    1.914
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6127
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1552 before and 0.0860 after correction. The Ratio of minimum to maximum transmission is 0.8216. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7664
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0885
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            414509
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.347
_diffrn_reflns_theta_min         2.264
_diffrn_ambient_temperature      190
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12410
_reflns_number_total             16752
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.540
_refine_diff_density_min         -1.108
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     946
_refine_ls_number_reflns         16752
_refine_ls_number_restraints     216
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0484
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0347P)²+74.5405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1142
_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, All O(H,H) groups
2. Restrained distances
 F16A-F17A \\sim F17A-F18A \\sim F18A-F16A
 with sigma of 0.04
 C28-O1 \\sim C28-O2
 with sigma of 0.02
 C37-F13 \\sim C37-F14 \\sim C37-F15
 with sigma of 0.02
 C39-F16A \\sim C39-F17A \\sim C39-F18A
 with sigma of 0.02
 C36-F13 \\sim C36-F14 \\sim C36-F15
 with sigma of 0.04
 F13-F14 \\sim F14-F15 \\sim F15-F13
 with sigma of 0.04
 C36-O10 \\sim C36-O9
 with sigma of 0.02
 C30-O3 \\sim C30-O4
 with sigma of 0.02
 C33-F7 \\sim C33-F9 \\sim C33-F8
 with sigma of 0.02
 C38-F16A \\sim C38-F17A \\sim C38-F18A
 with sigma of 0.04
 C32-F7 \\sim C32-F9 \\sim C32-F8
 with sigma of 0.04
 C38-O12 \\sim C38-O11
 with sigma of 0.02
 F7-F9 \\sim F9-F8 \\sim F8-F7
 with sigma of 0.04
 C32-O6 \\sim C32-O5
 with sigma of 0.02
 C34-O7 \\sim C34-O8
 with sigma of 0.02
 F2-F1 \\sim F1-F3 \\sim F3-F2
 with sigma of 0.04
 C29-F2 \\sim C29-F1 \\sim C29-F3
 with sigma of 0.02
 C28-F2 \\sim C28-F1 \\sim C28-F3
 with sigma of 0.04
 C31-F4 \\sim C31-F6 \\sim C31-F5
 with sigma of 0.02
 C30-F4 \\sim C30-F6 \\sim C30-F5
 with sigma of 0.04
 F4-F6 \\sim F6-F5 \\sim F5-F4
 with sigma of 0.04
 F11-F12 \\sim F12-F10 \\sim F10-F11
 with sigma of 0.04
 C34-F11 \\sim C34-F12 \\sim C34-F10
 with sigma of 0.04
 C35-F11 \\sim C35-F12 \\sim C35-F10
 with sigma of 0.02
3. Restrained planarity
 O7, O8, C34, C35
 with sigma of 0.1
 O3, O4, C30, C31
 with sigma of 0.1
 O9, O10, C36, C37
 with sigma of 0.1
 O1, O2, C28, C29
 with sigma of 0.1
 O5, O6, C32, C33
 with sigma of 0.1
 O11, O12, C38, C39
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C7 \\sim C8 \\sim C9: within 3A with sigma of 0.01 and sigma for terminal atoms
of 0.02 within 3A
Uanis(O11) \\sim Ueq, Uanis(O12) \\sim Ueq, Uanis(O12A) \\sim Ueq, Uanis(O11A)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F16) \\sim Ueq, Uanis(F16A) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F17A)
\\sim Ueq, Uanis(F18) \\sim Ueq, Uanis(F18A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(F1) \\sim Ueq, Uanis(F2A) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3A)
\\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F1A) \\sim Ueq: with sigma of 0.001 and
sigma for terminal atoms of 0.002
Uanis(F10A) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F11A) \\sim Ueq, Uanis(F12)
\\sim Ueq, Uanis(F12A) \\sim Ueq, Uanis(F11) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
5. Others
 Sof(Ag6A)=Sof(F16)=Sof(F17)=Sof(F18)=Sof(O11A)=Sof(O12A)=1-FVAR(1)
 Sof(Ag6)=Sof(F16A)=Sof(F17A)=Sof(F18A)=Sof(O11)=Sof(O12)=FVAR(1)
 Sof(F11A)=Sof(F12A)=Sof(F10A)=1-FVAR(2)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(2)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=1-FVAR(3)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(3)
6.a Free rotating group:
 O13(H13A,H13B)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C11(H11), C12(H12), C14(H14), C15(H15),
 C20(H20), C21(H21), C23(H23), C24(H24)
6.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C27(H27A,H27B,H27C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C45(H45A,
 H45B,H45C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.63616(2) 0.44727(2) 0.54700(2) 0.03186(9) Uani 1 1 d . . . . .
Ag2 Ag 0.58589(2) 0.57563(2) 0.57429(2) 0.03341(9) Uani 1 1 d . . . . .
Ag3 Ag 0.44644(2) 0.52569(2) 0.60461(2) 0.04161(11) Uani 1 1 d . . . . .
Ag4 Ag 0.48346(2) 0.38612(2) 0.57962(2) 0.04053(10) Uani 1 1 d . . . . .
Ag5 Ag 0.47138(2) 0.60034(2) 0.51850(2) 0.02844(8) Uani 1 1 d . . . . .
Ag6 Ag 0.31989(9) 0.44147(9) 0.5416(3) 0.0589(9) Uani 0.651(13) 1 d . . P A 1
Ag6A Ag 0.31796(14) 0.44530(13) 0.5205(3) 0.0408(8) Uani 0.349(13) 1 d . . P A
2
S1 S 0.55042(5) 0.47486(5) 0.60624(4) 0.0252(2) Uani 1 1 d . . . . .
S2 S 0.41507(5) 0.38285(5) 0.51033(4) 0.0237(2) Uani 1 1 d . . . . .
S3 S 0.36973(5) 0.54693(5) 0.53983(4) 0.0225(2) Uani 1 1 d . . . . .
F1 F 0.4877(4) 0.3232(3) 0.7551(2) 0.077(2) Uani 0.699(11) 1 d D U P B 1
F2 F 0.5640(4) 0.2899(3) 0.7144(3) 0.089(3) Uani 0.699(11) 1 d D U P B 1
F3 F 0.4771(4) 0.2375(3) 0.7177(3) 0.089(2) Uani 0.699(11) 1 d D U P B 1
F4 F 0.6531(5) 0.2477(3) 0.6226(3) 0.177(4) Uani 1 1 d D . . . .
F5 F 0.6814(3) 0.2210(2) 0.5555(3) 0.141(3) Uani 1 1 d D . . . .
F6 F 0.5858(2) 0.21431(19) 0.5759(2) 0.0990(18) Uani 1 1 d D . . . .
F7 F 0.7915(4) 0.5365(4) 0.6606(2) 0.179(4) Uani 1 1 d D . . . .
F8 F 0.8083(2) 0.61255(19) 0.6237(3) 0.138(3) Uani 1 1 d D . . . .
F9 F 0.8440(2) 0.5295(2) 0.6026(3) 0.121(3) Uani 1 1 d D . . . .
F10 F 0.4604(8) 0.7431(7) 0.6657(6) 0.082(6) Uani 0.483(19) 1 d D U P C 1
F11 F 0.5505(6) 0.7746(7) 0.6459(7) 0.101(5) Uani 0.483(19) 1 d D U P C 1
F12 F 0.4707(10) 0.7930(5) 0.6035(4) 0.098(6) Uani 0.483(19) 1 d D U P C 1
F13 F 0.3822(4) 0.6165(4) 0.7615(2) 0.175(4) Uani 1 1 d D . . . .
F14 F 0.3553(4) 0.6750(3) 0.7084(2) 0.145(3) Uani 1 1 d D . . . .
F15 F 0.2905(3) 0.6209(3) 0.7375(2) 0.142(3) Uani 1 1 d D . . . .
F16 F 0.0840(10) 0.3722(12) 0.5511(10) 0.117(8) Uani 0.349(13) 1 d . U P A 2
F17 F 0.0859(7) 0.4672(9) 0.5417(8) 0.105(7) Uani 0.349(13) 1 d . U P A 2
F18 F 0.1000(11) 0.4019(11) 0.4887(7) 0.085(7) Uani 0.349(13) 1 d . U P A 2
F16A F 0.0770(4) 0.4179(7) 0.5646(3) 0.105(4) Uani 0.651(13) 1 d D U P A 1
F17A F 0.0933(7) 0.4346(8) 0.4932(5) 0.132(6) Uani 0.651(13) 1 d D U P A 1
F18A F 0.1035(6) 0.3458(6) 0.5227(5) 0.144(5) Uani 0.651(13) 1 d D U P A 1
O1 O 0.5034(3) 0.3223(2) 0.63860(16) 0.0640(13) Uani 1 1 d D . . . .
O2 O 0.4195(3) 0.3493(2) 0.68020(18) 0.0697(14) Uani 1 1 d D . . . .
O3 O 0.67243(18) 0.34668(18) 0.56765(15) 0.0489(10) Uani 1 1 d D . . . .
O4 O 0.57565(16) 0.32313(16) 0.54041(12) 0.0353(8) Uani 1 1 d D . . . .
O5 O 0.72785(17) 0.49136(16) 0.57938(13) 0.0395(9) Uani 1 1 d D . . . .
O6 O 0.69278(19) 0.58524(18) 0.59364(18) 0.0558(12) Uani 1 1 d D . . . .
O7 O 0.5578(2) 0.66559(19) 0.61310(14) 0.0492(10) Uani 1 1 d D . . . .
O8 O 0.46667(19) 0.6779(2) 0.57393(14) 0.0491(10) Uani 1 1 d D . . . .
O9 O 0.4169(2) 0.5801(2) 0.66807(16) 0.0648(13) Uani 1 1 d D . . . .
O10 O 0.3296(3) 0.5294(2) 0.68840(18) 0.0697(14) Uani 1 1 d D . . . .
O11 O 0.2148(5) 0.4428(5) 0.5119(5) 0.071(3) Uani 0.651(13) 1 d D U P A 1
O11A O 0.2217(11) 0.4147(11) 0.5085(8) 0.072(6) Uani 0.349(13) 1 d . U P A 2
O12 O 0.1982(8) 0.3922(7) 0.5767(5) 0.088(4) Uani 0.651(13) 1 d D U P A 1
O12A O 0.2027(14) 0.4231(12) 0.5776(9) 0.077(7) Uani 0.349(13) 1 d . U P A 2
N1 N 0.6444(2) 0.4297(3) 0.80087(15) 0.0480(13) Uani 1 1 d . . . . .
N2 N 0.35853(19) 0.12399(18) 0.45672(15) 0.0320(9) Uani 1 1 d . . . . .
N3 N 0.1975(2) 0.7370(2) 0.62426(15) 0.0378(10) Uani 1 1 d . . . . .
C1 C 0.5782(2) 0.4618(2) 0.66351(16) 0.0269(10) Uani 1 1 d . . . . .
C2 C 0.6369(3) 0.4381(4) 0.6713(2) 0.071(2) Uani 1 1 d . . . . .
H2 H 0.663442 0.428101 0.645809 0.085 Uiso 1 1 calc R U . . .
C3 C 0.6587(3) 0.4282(5) 0.7155(2) 0.081(3) Uani 1 1 d . . . . .
H3 H 0.700029 0.411456 0.720150 0.097 Uiso 1 1 calc R U . . .
C4 C 0.6218(3) 0.4420(3) 0.75258(18) 0.0401(13) Uani 1 1 d . . . . .
C5 C 0.5611(3) 0.4604(4) 0.7450(2) 0.063(2) Uani 1 1 d . . . . .
H5 H 0.532706 0.465685 0.770209 0.076 Uiso 1 1 calc R U . . .
C6 C 0.5404(3) 0.4715(4) 0.7008(2) 0.061(2) Uani 1 1 d . . . . .
H6 H 0.498319 0.486476 0.696237 0.073 Uiso 1 1 calc R U . . .
C7 C 0.6147(5) 0.4754(5) 0.8349(3) 0.093(3) Uani 1 1 d . U . . .
H7A H 0.623392 0.516592 0.824300 0.139 Uiso 1 1 calc R U . . .
H7B H 0.633374 0.469629 0.865607 0.139 Uiso 1 1 calc R U . . .
H7C H 0.568389 0.469030 0.836525 0.139 Uiso 1 1 calc R U . . .
C8 C 0.7137(4) 0.4365(5) 0.8055(3) 0.091(3) Uani 1 1 d . U . . .
H8A H 0.735182 0.406404 0.786131 0.137 Uiso 1 1 calc R U . . .
H8B H 0.725986 0.430443 0.837747 0.137 Uiso 1 1 calc R U . . .
H8C H 0.726269 0.477068 0.795597 0.137 Uiso 1 1 calc R U . . .
C9 C 0.6225(4) 0.3700(4) 0.8159(3) 0.081(3) Uani 1 1 d . U . . .
H9A H 0.575786 0.368373 0.814481 0.122 Uiso 1 1 calc R U . . .
H9B H 0.636646 0.362738 0.847615 0.122 Uiso 1 1 calc R U . . .
H9C H 0.640563 0.339045 0.795559 0.122 Uiso 1 1 calc R U . . .
C10 C 0.3986(2) 0.3060(2) 0.49629(15) 0.0232(9) Uani 1 1 d . . . . .
C11 C 0.3390(2) 0.2902(2) 0.47944(17) 0.0295(10) Uani 1 1 d . . . . .
H11 H 0.306940 0.320191 0.475970 0.035 Uiso 1 1 calc R U . . .
C12 C 0.3259(2) 0.2308(2) 0.46760(18) 0.0321(11) Uani 1 1 d . . . . .
H12 H 0.284598 0.219804 0.456833 0.039 Uiso 1 1 calc R U . . .
C13 C 0.3734(2) 0.1876(2) 0.47163(17) 0.0295(10) Uani 1 1 d . . . . .
C14 C 0.4327(2) 0.2026(2) 0.48908(17) 0.0293(10) Uani 1 1 d . . . . .
H14 H 0.464687 0.172477 0.492368 0.035 Uiso 1 1 calc R U . . .
C15 C 0.4453(2) 0.2615(2) 0.50176(17) 0.0279(10) Uani 1 1 d . . . . .
H15 H 0.485784 0.271825 0.514234 0.034 Uiso 1 1 calc R U . . .
C16 C 0.3287(3) 0.1243(2) 0.40971(19) 0.0410(13) Uani 1 1 d . . . . .
H16A H 0.287881 0.145948 0.410898 0.062 Uiso 1 1 calc R U . . .
H16B H 0.321295 0.082679 0.399604 0.062 Uiso 1 1 calc R U . . .
H16C H 0.357384 0.144496 0.387913 0.062 Uiso 1 1 calc R U . . .
C17 C 0.4170(3) 0.0847(2) 0.4549(2) 0.0460(14) Uani 1 1 d . . . . .
H17A H 0.449148 0.103483 0.434942 0.069 Uiso 1 1 calc R U . . .
H17B H 0.405572 0.044974 0.442584 0.069 Uiso 1 1 calc R U . . .
H17C H 0.434529 0.080049 0.486066 0.069 Uiso 1 1 calc R U . . .
C18 C 0.3118(3) 0.0968(3) 0.4908(2) 0.0457(14) Uani 1 1 d . . . . .
H18A H 0.330796 0.096959 0.521664 0.069 Uiso 1 1 calc R U . . .
H18B H 0.302007 0.055252 0.481682 0.069 Uiso 1 1 calc R U . . .
H18C H 0.272403 0.120726 0.491006 0.069 Uiso 1 1 calc R U . . .
C19 C 0.3191(2) 0.6036(2) 0.56382(15) 0.0230(9) Uani 1 1 d . . . . .
C20 C 0.2708(2) 0.5868(2) 0.59387(16) 0.0295(10) Uani 1 1 d . . . . .
H20 H 0.264606 0.545395 0.601129 0.035 Uiso 1 1 calc R U . . .
C21 C 0.2315(2) 0.6303(2) 0.61340(18) 0.0356(11) Uani 1 1 d . . . . .
H21 H 0.198387 0.618823 0.634019 0.043 Uiso 1 1 calc R U . . .
C22 C 0.2409(2) 0.6905(2) 0.60261(17) 0.0300(10) Uani 1 1 d . . . . .
C23 C 0.2882(2) 0.7077(2) 0.57287(17) 0.0318(10) Uani 1 1 d . . . . .
H23 H 0.294131 0.749143 0.565463 0.038 Uiso 1 1 calc R U . . .
C24 C 0.3276(2) 0.6638(2) 0.55357(17) 0.0295(10) Uani 1 1 d . . . . .
H24 H 0.360839 0.675442 0.533082 0.035 Uiso 1 1 calc R U . . .
C25 C 0.2062(5) 0.7398(4) 0.6737(2) 0.087(3) Uani 1 1 d . . . . .
H25A H 0.192404 0.701681 0.687599 0.130 Uiso 1 1 calc R U . . .
H25B H 0.180611 0.773031 0.686289 0.130 Uiso 1 1 calc R U . . .
H25C H 0.251412 0.746733 0.680719 0.130 Uiso 1 1 calc R U . . .
C26 C 0.1289(3) 0.7222(4) 0.6124(3) 0.084(3) Uani 1 1 d . . . . .
H26A H 0.123930 0.720559 0.578838 0.126 Uiso 1 1 calc R U . . .
H26B H 0.100706 0.753508 0.625001 0.126 Uiso 1 1 calc R U . . .
H26C H 0.117457 0.683035 0.625762 0.126 Uiso 1 1 calc R U . . .
C27 C 0.2078(5) 0.7998(3) 0.6040(3) 0.078(2) Uani 1 1 d . . . . .
H27A H 0.250311 0.814469 0.612593 0.117 Uiso 1 1 calc R U . . .
H27B H 0.175226 0.827342 0.616122 0.117 Uiso 1 1 calc R U . . .
H27C H 0.204362 0.797819 0.570354 0.117 Uiso 1 1 calc R U . . .
C28 C 0.4717(3) 0.3250(3) 0.6738(2) 0.0458(14) Uani 1 1 d D . . . .
C29 C 0.4998(4) 0.2927(3) 0.7149(3) 0.075(2) Uani 1 1 d D . . . .
C30 C 0.6269(2) 0.3126(2) 0.55945(19) 0.0355(11) Uani 1 1 d D . . . .
C31 C 0.6361(3) 0.2484(3) 0.5777(3) 0.082(3) Uani 1 1 d D . . . .
C32 C 0.7313(2) 0.5434(2) 0.59410(19) 0.0363(12) Uani 1 1 d D . . . .
C33 C 0.7943(3) 0.5571(3) 0.6196(3) 0.065(2) Uani 1 1 d D . . . .
C34 C 0.5073(2) 0.6906(2) 0.60267(17) 0.0372(12) Uani 1 1 d D . . . .
C35 C 0.4943(3) 0.7500(3) 0.6295(2) 0.0579(18) Uani 1 1 d D . . . .
C36 C 0.3673(3) 0.5719(3) 0.6897(2) 0.0492(15) Uani 1 1 d D . . . .
C37 C 0.3504(4) 0.6211(4) 0.7246(2) 0.070(2) Uani 1 1 d D . . . .
C38 C 0.1846(3) 0.4152(3) 0.5408(2) 0.0466(14) Uani 1 1 d D . . . .
C39 C 0.1146(4) 0.4063(4) 0.5300(3) 0.074(2) Uani 1 1 d D . . . .
O13 O 0.3577(3) 0.4371(2) 0.63079(17) 0.0635(13) Uani 1 1 d G . . . .
H13A H 0.351510 0.461262 0.653120 0.095 Uiso 1 1 d G U . . .
H13B H 0.377334 0.407377 0.642776 0.095 Uiso 1 1 d G U . . .
N4 N 0.4381(6) 0.0917(6) 0.5786(4) 0.138(4) Uani 1 1 d . . . . .
C40 C 0.4766(5) 0.0955(4) 0.6036(4) 0.085(3) Uani 1 1 d . . . . .
C41 C 0.5265(4) 0.1032(5) 0.6383(4) 0.109(4) Uani 1 1 d . . . . .
H41A H 0.568466 0.097857 0.623827 0.164 Uiso 1 1 calc R U . . .
H41B H 0.520944 0.073090 0.662701 0.164 Uiso 1 1 calc R U . . .
H41C H 0.523646 0.143785 0.651541 0.164 Uiso 1 1 calc R U . . .
N5 N 0.6179(5) 0.6136(4) 0.7920(3) 0.121(3) Uani 1 1 d . . . . .
C42 C 0.5935(5) 0.6167(4) 0.7562(3) 0.092(3) Uani 1 1 d . . . . .
C43 C 0.5618(8) 0.6227(5) 0.7132(4) 0.172(7) Uani 1 1 d . . . . .
H43A H 0.586046 0.601316 0.689312 0.257 Uiso 1 1 calc R U . . .
H43B H 0.558743 0.665558 0.705072 0.257 Uiso 1 1 calc R U . . .
H43C H 0.518836 0.605455 0.715443 0.257 Uiso 1 1 calc R U . . .
N6 N 0.4497(4) 0.4417(4) 0.8352(3) 0.087(2) Uani 1 1 d . . . . .
C44 C 0.4120(4) 0.4369(4) 0.8076(3) 0.0627(19) Uani 1 1 d . . . . .
C45 C 0.3643(6) 0.4310(5) 0.7718(4) 0.113(4) Uani 1 1 d . . . . .
H45A H 0.381743 0.406966 0.746378 0.170 Uiso 1 1 calc R U . . .
H45B H 0.352630 0.471190 0.760399 0.170 Uiso 1 1 calc R U . . .
H45C H 0.326379 0.411002 0.784319 0.170 Uiso 1 1 calc R U . . .
F11A F 0.4264(6) 0.7629(7) 0.6267(6) 0.110(6) Uani 0.517(19) 1 d . U P C 2
F12A F 0.5254(10) 0.7923(5) 0.6211(6) 0.101(6) Uani 0.517(19) 1 d . U P C 2
F10A F 0.4904(8) 0.7372(8) 0.6745(5) 0.081(4) Uani 0.517(19) 1 d . U P C 2
F1A F 0.4440(11) 0.2619(10) 0.7386(8) 0.119(8) Uani 0.301(11) 1 d . U P B 2
F2A F 0.5307(14) 0.3103(12) 0.7431(10) 0.138(9) Uani 0.301(11) 1 d . U P B 2
F3A F 0.5193(11) 0.2344(9) 0.7041(7) 0.106(7) Uani 0.301(11) 1 d . U P B 2


_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 3.1337(6) . ?
Ag1 Ag5 3.1284(5) 5_666 ?
Ag1 Ag6A 3.228(5) 5_666 ?
Ag1 S1 2.5584(12) . ?
Ag1 S3 2.5243(12) 5_666 ?
Ag1 O3 2.429(4) . ?
Ag1 O5 2.349(3) . ?
Ag2 Ag3 3.2425(6) . ?
Ag2 Ag5 2.9427(5) . ?
Ag2 S1 2.5285(12) . ?
Ag2 S2 2.6206(12) 5_666 ?
Ag2 O6 2.316(4) . ?
Ag2 O7 2.363(4) . ?
Ag3 Ag4 3.2690(7) . ?
Ag3 Ag5 3.0401(6) . ?
Ag3 S1 2.4506(12) . ?
Ag3 S3 2.5153(12) . ?
Ag3 O9 2.285(4) . ?
Ag4 Ag5 3.0135(6) 5_666 ?
Ag4 S1 2.5349(12) . ?
Ag4 S2 2.4681(12) . ?
Ag4 O1 2.258(5) . ?
Ag5 S2 2.5465(11) 5_666 ?
Ag5 S3 2.5116(11) . ?
Ag5 O8 2.355(4) . ?
Ag6 S2 2.545(2) . ?
Ag6 S3 2.559(2) . ?
Ag6 O11 2.363(12) . ?
Ag6A S2 2.476(3) . ?
Ag6A S3 2.561(3) . ?
Ag6A O11A 2.15(2) . ?
S1 C1 1.783(5) . ?
S2 C10 1.785(4) . ?
S3 C19 1.784(4) . ?
F1 C29 1.370(9) . ?
F2 C29 1.345(9) . ?
F3 C29 1.314(9) . ?
F4 C31 1.349(9) . ?
F5 C31 1.296(8) . ?
F6 C31 1.296(8) . ?
F7 C33 1.273(9) . ?
F8 C33 1.269(7) . ?
F9 C33 1.303(8) . ?
F10 C35 1.277(12) . ?
F11 C35 1.381(12) . ?
F12 C35 1.311(10) . ?
F13 C37 1.264(8) . ?
F14 C37 1.287(8) . ?
F15 C37 1.309(8) . ?
F16 C39 1.164(17) . ?
F17 C39 1.516(18) . ?
F18 C39 1.24(2) . ?
F16A C39 1.302(10) . ?
F17A C39 1.314(12) . ?
F18A C39 1.376(11) . ?
O1 C28 1.220(7) . ?
O2 C28 1.232(7) . ?
O3 C30 1.240(6) . ?
O4 C30 1.228(6) . ?
O5 C32 1.231(6) . ?
O6 C32 1.229(6) . ?
O7 C34 1.232(6) . ?
O8 C34 1.223(6) . ?
O9 C36 1.227(7) . ?
O10 C36 1.229(7) . ?
O11 C38 1.213(11) . ?
O11A C38 1.22(2) . ?
O12 C38 1.193(13) . ?
O12A C38 1.15(3) . ?
N1 C4 1.503(6) . ?
N1 C7 1.546(10) . ?
N1 C8 1.463(8) . ?
N1 C9 1.466(8) . ?
N2 C13 1.508(6) . ?
N2 C16 1.499(7) . ?
N2 C17 1.503(7) . ?
N2 C18 1.514(7) . ?
N3 C22 1.510(6) . ?
N3 C25 1.447(8) . ?
N3 C26 1.514(9) . ?
N3 C27 1.524(9) . ?
C1 C2 1.356(8) . ?
C1 C6 1.356(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.380(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.358(9) . ?
C4 C5 1.353(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.374(8) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.384(6) . ?
C10 C15 1.396(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(7) . ?
C13 C14 1.379(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.382(6) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.385(6) . ?
C19 C24 1.377(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.388(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(7) . ?
C22 C23 1.368(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.394(7) . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.509(9) . ?
C29 F1A 1.52(2) . ?
C29 F2A 1.11(3) . ?
C29 F3A 1.39(2) . ?
C30 C31 1.530(9) . ?
C32 C33 1.542(8) . ?
C34 C35 1.552(8) . ?
C35 F11A 1.451(13) . ?
C35 F12A 1.167(12) . ?
C35 F10A 1.338(17) . ?
C36 C37 1.530(9) . ?
C38 C39 1.512(9) . ?
O13 H13A 0.8499 . ?
O13 H13B 0.8505 . ?
N4 C40 1.087(13) . ?
C40 C41 1.459(15) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
N5 C42 1.158(11) . ?
C42 C43 1.420(13) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
N6 C44 1.129(10) . ?
C44 C45 1.446(12) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag2 Ag1 Ag6A 65.42(9) . 5_666 ?
Ag5 Ag1 Ag2 102.580(15) 5_666 . ?
Ag5 Ag1 Ag6A 95.41(9) 5_666 5_666 ?
S1 Ag1 Ag2 51.54(3) . . ?
S1 Ag1 Ag5 89.07(3) . 5_666 ?
S1 Ag1 Ag6A 116.09(8) . 5_666 ?
S3 Ag1 Ag2 100.92(3) 5_666 . ?
S3 Ag1 Ag5 51.41(3) 5_666 5_666 ?
S3 Ag1 Ag6A 51.10(11) 5_666 5_666 ?
S3 Ag1 S1 128.57(4) 5_666 . ?
O3 Ag1 Ag2 151.06(11) . . ?
O3 Ag1 Ag5 93.73(9) . 5_666 ?
O3 Ag1 Ag6A 137.14(12) . 5_666 ?
O3 Ag1 S1 105.83(11) . . ?
O3 Ag1 S3 107.93(11) . 5_666 ?
O5 Ag1 Ag2 78.23(9) . . ?
O5 Ag1 Ag5 166.09(10) . 5_666 ?
O5 Ag1 Ag6A 72.12(13) . 5_666 ?
O5 Ag1 S1 101.83(10) . . ?
O5 Ag1 S3 114.68(10) . 5_666 ?
O5 Ag1 O3 91.59(13) . . ?
Ag1 Ag2 Ag3 93.499(15) . . ?
Ag5 Ag2 Ag1 107.665(16) . . ?
Ag5 Ag2 Ag3 58.641(13) . . ?
S1 Ag2 Ag1 52.40(3) . . ?
S1 Ag2 Ag3 48.33(3) . . ?
S1 Ag2 Ag5 97.28(3) . . ?
S1 Ag2 S2 130.60(4) . 5_666 ?
S2 Ag2 Ag1 94.85(3) 5_666 . ?
S2 Ag2 Ag3 111.52(3) 5_666 . ?
S2 Ag2 Ag5 54.11(3) 5_666 . ?
O6 Ag2 Ag1 79.65(10) . . ?
O6 Ag2 Ag3 146.61(13) . . ?
O6 Ag2 Ag5 154.50(12) . . ?
O6 Ag2 S1 106.02(11) . . ?
O6 Ag2 S2 101.65(13) . 5_666 ?
O6 Ag2 O7 92.70(15) . . ?
O7 Ag2 Ag1 165.73(10) . . ?
O7 Ag2 Ag3 86.27(11) . . ?
O7 Ag2 Ag5 84.40(10) . . ?
O7 Ag2 S1 119.81(12) . . ?
O7 Ag2 S2 98.51(11) . 5_666 ?
Ag2 Ag3 Ag4 92.833(15) . . ?
Ag5 Ag3 Ag2 55.748(12) . . ?
Ag5 Ag3 Ag4 106.974(16) . . ?
S1 Ag3 Ag2 50.42(3) . . ?
S1 Ag3 Ag4 50.15(3) . . ?
S1 Ag3 Ag5 96.51(3) . . ?
S1 Ag3 S3 131.85(4) . . ?
S3 Ag3 Ag2 107.94(3) . . ?
S3 Ag3 Ag4 99.37(3) . . ?
S3 Ag3 Ag5 52.73(3) . . ?
O9 Ag3 Ag2 106.38(12) . . ?
O9 Ag3 Ag4 137.85(14) . . ?
O9 Ag3 Ag5 114.90(14) . . ?
O9 Ag3 S1 117.84(13) . . ?
O9 Ag3 S3 109.27(13) . . ?
Ag5 Ag4 Ag3 100.921(16) 5_666 . ?
S1 Ag4 Ag3 47.92(3) . . ?
S1 Ag4 Ag5 92.12(3) . 5_666 ?
S2 Ag4 Ag3 94.06(3) . . ?
S2 Ag4 Ag5 54.26(3) . 5_666 ?
S2 Ag4 S1 126.25(4) . . ?
O1 Ag4 Ag3 117.92(13) . . ?
O1 Ag4 Ag5 136.02(13) . 5_666 ?
O1 Ag4 S1 98.79(13) . . ?
O1 Ag4 S2 134.88(13) . . ?
Ag2 Ag5 Ag1 148.972(17) . 5_666 ?
Ag2 Ag5 Ag3 65.610(14) . . ?
Ag2 Ag5 Ag4 106.390(16) . 5_666 ?
Ag3 Ag5 Ag1 101.050(15) . 5_666 ?
Ag4 Ag5 Ag1 71.695(14) 5_666 5_666 ?
Ag4 Ag5 Ag3 152.072(18) 5_666 . ?
S2 Ag5 Ag1 121.42(3) 5_666 5_666 ?
S2 Ag5 Ag2 56.48(3) 5_666 . ?
S2 Ag5 Ag3 120.62(3) 5_666 . ?
S2 Ag5 Ag4 51.88(3) 5_666 5_666 ?
S3 Ag5 Ag1 51.78(3) . 5_666 ?
S3 Ag5 Ag2 117.82(3) . . ?
S3 Ag5 Ag3 52.84(3) . . ?
S3 Ag5 Ag4 123.03(3) . 5_666 ?
S3 Ag5 S2 160.07(4) . 5_666 ?
O8 Ag5 Ag1 129.08(10) . 5_666 ?
O8 Ag5 Ag2 78.15(10) . . ?
O8 Ag5 Ag3 80.17(12) . . ?
O8 Ag5 Ag4 125.80(11) . 5_666 ?
O8 Ag5 S2 99.00(10) . 5_666 ?
O8 Ag5 S3 98.06(11) . . ?
S2 Ag6 S3 98.02(8) . . ?
O11 Ag6 S2 127.2(3) . . ?
O11 Ag6 S3 111.1(4) . . ?
S2 Ag6A Ag1 95.47(17) . 5_666 ?
S2 Ag6A S3 99.79(10) . . ?
S3 Ag6A Ag1 50.10(8) . 5_666 ?
O11A Ag6A S2 124.9(6) . . ?
O11A Ag6A S3 135.1(6) . . ?
Ag2 S1 Ag1 76.05(3) . . ?
Ag2 S1 Ag4 137.35(5) . . ?
Ag3 S1 Ag1 136.02(5) . . ?
Ag3 S1 Ag2 81.25(4) . . ?
Ag3 S1 Ag4 81.93(4) . . ?
Ag4 S1 Ag1 89.88(4) . . ?
C1 S1 Ag1 111.01(16) . . ?
C1 S1 Ag2 112.88(16) . . ?
C1 S1 Ag3 112.43(16) . . ?
C1 S1 Ag4 109.76(16) . . ?
Ag4 S2 Ag2 139.16(5) . 5_666 ?
Ag4 S2 Ag5 73.86(3) . 5_666 ?
Ag4 S2 Ag6 98.54(16) . . ?
Ag4 S2 Ag6A 111.24(16) . . ?
Ag5 S2 Ag2 69.42(3) 5_666 5_666 ?
Ag6 S2 Ag2 98.56(17) . 5_666 ?
Ag6 S2 Ag5 140.61(6) . 5_666 ?
C10 S2 Ag2 96.88(15) . 5_666 ?
C10 S2 Ag4 109.01(15) . . ?
C10 S2 Ag5 104.17(15) . 5_666 ?
C10 S2 Ag6 114.65(15) . . ?
C10 S2 Ag6A 113.70(16) . . ?
Ag1 S3 Ag6 92.68(18) 5_666 . ?
Ag1 S3 Ag6A 78.80(17) 5_666 . ?
Ag3 S3 Ag1 141.78(5) . 5_666 ?
Ag3 S3 Ag6 94.25(16) . . ?
Ag3 S3 Ag6A 105.59(13) . . ?
Ag5 S3 Ag1 76.81(3) . 5_666 ?
Ag5 S3 Ag3 74.42(3) . . ?
Ag5 S3 Ag6 141.29(6) . . ?
Ag5 S3 Ag6A 135.96(13) . . ?
C19 S3 Ag1 108.92(15) . 5_666 ?
C19 S3 Ag3 102.68(15) . . ?
C19 S3 Ag5 105.52(15) . . ?
C19 S3 Ag6 113.11(16) . . ?
C19 S3 Ag6A 116.92(18) . . ?
C28 O1 Ag4 120.2(4) . . ?
C30 O3 Ag1 105.8(3) . . ?
C32 O5 Ag1 125.1(3) . . ?
C32 O6 Ag2 124.5(3) . . ?
C34 O7 Ag2 118.4(3) . . ?
C34 O8 Ag5 127.1(3) . . ?
C36 O9 Ag3 124.3(4) . . ?
C38 O11 Ag6 103.1(7) . . ?
C38 O11A Ag6A 117.9(14) . . ?
C4 N1 C7 110.5(5) . . ?
C8 N1 C4 112.2(5) . . ?
C8 N1 C7 105.9(6) . . ?
C8 N1 C9 112.0(6) . . ?
C9 N1 C4 110.0(5) . . ?
C9 N1 C7 106.0(6) . . ?
C13 N2 C18 108.5(4) . . ?
C16 N2 C13 110.0(4) . . ?
C16 N2 C17 108.1(4) . . ?
C16 N2 C18 109.0(4) . . ?
C17 N2 C13 112.5(4) . . ?
C17 N2 C18 108.6(4) . . ?
C22 N3 C26 109.2(4) . . ?
C22 N3 C27 112.2(5) . . ?
C25 N3 C22 111.5(5) . . ?
C25 N3 C26 110.7(6) . . ?
C25 N3 C27 108.9(6) . . ?
C26 N3 C27 104.1(6) . . ?
C2 C1 S1 120.8(4) . . ?
C2 C1 C6 117.2(5) . . ?
C6 C1 S1 121.8(4) . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 121.1(6) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(6) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 N1 121.1(5) . . ?
C5 C4 N1 120.2(5) . . ?
C5 C4 C3 118.2(5) . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(6) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 122.1(6) . . ?
C1 C6 H6 119.0 . . ?
C5 C6 H6 119.0 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 S2 119.7(4) . . ?
C11 C10 C15 119.5(4) . . ?
C15 C10 S2 120.8(3) . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(4) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(4) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 N2 118.2(4) . . ?
C14 C13 N2 121.0(4) . . ?
C14 C13 C12 120.8(4) . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.7(4) . . ?
C15 C14 H14 120.2 . . ?
C10 C15 H15 119.9 . . ?
C14 C15 C10 120.2(4) . . ?
C14 C15 H15 119.9 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 S3 119.3(4) . . ?
C24 C19 S3 121.3(3) . . ?
C24 C19 C20 119.4(4) . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.2(5) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.5(5) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 N3 118.6(4) . . ?
C23 C22 N3 120.4(4) . . ?
C23 C22 C21 121.0(4) . . ?
C22 C23 H23 120.5 . . ?
C22 C23 C24 119.1(5) . . ?
C24 C23 H23 120.5 . . ?
C19 C24 C23 120.9(4) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
N3 C25 H25A 109.5 . . ?
N3 C25 H25B 109.5 . . ?
N3 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O1 C28 O2 129.0(6) . . ?
O1 C28 C29 115.3(6) . . ?
O2 C28 C29 115.7(6) . . ?
F1 C29 C28 111.5(7) . . ?
F2 C29 F1 102.4(7) . . ?
F2 C29 C28 113.7(7) . . ?
F3 C29 F1 109.9(7) . . ?
F3 C29 F2 108.5(8) . . ?
F3 C29 C28 110.5(6) . . ?
C28 C29 F1A 105.8(10) . . ?
F2A C29 C28 129.7(15) . . ?
F2A C29 F1A 105.8(18) . . ?
F2A C29 F3A 108.7(18) . . ?
F3A C29 C28 112.1(10) . . ?
F3A C29 F1A 84.9(13) . . ?
O3 C30 C31 113.7(5) . . ?
O4 C30 O3 129.9(5) . . ?
O4 C30 C31 116.3(5) . . ?
F4 C31 C30 112.2(7) . . ?
F5 C31 F4 106.4(7) . . ?
F5 C31 F6 107.5(7) . . ?
F5 C31 C30 110.8(6) . . ?
F6 C31 F4 104.3(8) . . ?
F6 C31 C30 115.1(5) . . ?
O5 C32 C33 113.6(4) . . ?
O6 C32 O5 131.6(5) . . ?
O6 C32 C33 114.7(4) . . ?
F7 C33 F9 102.8(7) . . ?
F7 C33 C32 109.8(6) . . ?
F8 C33 F7 105.7(7) . . ?
F8 C33 F9 107.7(6) . . ?
F8 C33 C32 115.6(5) . . ?
F9 C33 C32 114.1(5) . . ?
O7 C34 C35 114.1(5) . . ?
O8 C34 O7 131.4(5) . . ?
O8 C34 C35 114.5(5) . . ?
F10 C35 F11 103.7(10) . . ?
F10 C35 F12 110.5(10) . . ?
F10 C35 C34 114.0(9) . . ?
F11 C35 C34 111.1(7) . . ?
F12 C35 F11 103.4(11) . . ?
F12 C35 C34 113.3(6) . . ?
F11A C35 C34 108.0(6) . . ?
F12A C35 C34 118.8(8) . . ?
F12A C35 F11A 112.0(11) . . ?
F12A C35 F10A 114.0(12) . . ?
F10A C35 C34 108.7(9) . . ?
F10A C35 F11A 92.0(9) . . ?
O9 C36 O10 129.9(6) . . ?
O9 C36 C37 115.4(6) . . ?
O10 C36 C37 114.7(6) . . ?
F13 C37 F14 110.0(8) . . ?
F13 C37 F15 105.2(7) . . ?
F13 C37 C36 112.4(6) . . ?
F14 C37 F15 100.8(7) . . ?
F14 C37 C36 113.6(6) . . ?
F15 C37 C36 114.1(7) . . ?
O11 C38 C39 115.2(8) . . ?
O11A C38 C39 117.2(12) . . ?
O12 C38 O11 133.9(11) . . ?
O12 C38 C39 110.8(10) . . ?
O12A C38 O11A 121(2) . . ?
O12A C38 C39 122.2(16) . . ?
F16 C39 F17 104.0(17) . . ?
F16 C39 F18 108.8(18) . . ?
F16 C39 C38 120.6(13) . . ?
F18 C39 F17 100.9(14) . . ?
F18 C39 C38 116.7(13) . . ?
F16A C39 F17A 109.0(11) . . ?
F16A C39 F18A 102.1(9) . . ?
F16A C39 C38 113.5(7) . . ?
F17A C39 F18A 106.5(10) . . ?
F17A C39 C38 115.8(8) . . ?
F18A C39 C38 108.9(8) . . ?
C38 C39 F17 102.7(8) . . ?
H13A O13 H13B 104.5 . . ?
N4 C40 C41 177.1(14) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N5 C42 C43 177.2(14) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N6 C44 C45 179.2(10) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 S1 C1 C2 -2.3(6) . . . . ?
Ag1 S1 C1 C6 -178.1(5) . . . . ?
Ag1 S3 C19 C20 122.8(4) 5_666 . . . ?
Ag1 S3 C19 C24 -58.1(4) 5_666 . . . ?
Ag1 O3 C30 O4 7.3(7) . . . . ?
Ag1 O3 C30 C31 -170.3(5) . . . . ?
Ag1 O5 C32 O6 -5.0(9) . . . . ?
Ag1 O5 C32 C33 171.8(4) . . . . ?
Ag2 S1 C1 C2 -85.5(6) . . . . ?
Ag2 S1 C1 C6 98.7(5) . . . . ?
Ag2 S2 C10 C11 -69.1(4) 5_666 . . . ?
Ag2 S2 C10 C15 110.5(4) 5_666 . . . ?
Ag2 O6 C32 O5 11.6(9) . . . . ?
Ag2 O6 C32 C33 -165.1(4) . . . . ?
Ag2 O7 C34 O8 -1.5(9) . . . . ?
Ag2 O7 C34 C35 -178.7(4) . . . . ?
Ag3 S1 C1 C2 -175.3(5) . . . . ?
Ag3 S1 C1 C6 8.9(6) . . . . ?
Ag3 S3 C19 C20 -79.0(4) . . . . ?
Ag3 S3 C19 C24 100.0(4) . . . . ?
Ag3 O9 C36 O10 13.9(10) . . . . ?
Ag3 O9 C36 C37 -168.0(4) . . . . ?
Ag4 S1 C1 C2 95.5(6) . . . . ?
Ag4 S1 C1 C6 -80.3(6) . . . . ?
Ag4 S2 C10 C11 143.0(3) . . . . ?
Ag4 S2 C10 C15 -37.5(4) . . . . ?
Ag4 O1 C28 O2 17.6(9) . . . . ?
Ag4 O1 C28 C29 -164.3(4) . . . . ?
Ag5 S2 C10 C11 -139.5(4) 5_666 . . . ?
Ag5 S2 C10 C15 40.0(4) 5_666 . . . ?
Ag5 S3 C19 C20 -156.1(3) . . . . ?
Ag5 S3 C19 C24 22.9(4) . . . . ?
Ag5 O8 C34 O7 -5.8(9) . . . . ?
Ag5 O8 C34 C35 171.4(4) . . . . ?
Ag6 S2 C10 C11 33.7(5) . . . . ?
Ag6 S2 C10 C15 -146.8(4) . . . . ?
Ag6 S3 C19 C20 21.3(5) . . . . ?
Ag6 S3 C19 C24 -159.7(4) . . . . ?
Ag6 O11 C38 O12 1.4(15) . . . . ?
Ag6 O11 C38 C39 -177.5(5) . . . . ?
Ag6A S2 C10 C11 18.3(5) . . . . ?
Ag6A S2 C10 C15 -162.2(4) . . . . ?
Ag6A S3 C19 C20 36.0(5) . . . . ?
Ag6A S3 C19 C24 -144.9(4) . . . . ?
Ag6A O11A C38 O12A -11(3) . . . . ?
Ag6A O11A C38 C39 167.6(10) . . . . ?
S1 C1 C2 C3 179.7(7) . . . . ?
S1 C1 C6 C5 178.7(6) . . . . ?
S2 C10 C11 C12 178.9(4) . . . . ?
S2 C10 C15 C14 -177.5(4) . . . . ?
S3 C19 C20 C21 179.1(4) . . . . ?
S3 C19 C24 C23 -179.3(4) . . . . ?
O1 C28 C29 F1 144.0(7) . . . . ?
O1 C28 C29 F2 28.8(9) . . . . ?
O1 C28 C29 F3 -93.5(9) . . . . ?
O1 C28 C29 F1A -139.3(11) . . . . ?
O1 C28 C29 F2A 94(2) . . . . ?
O1 C28 C29 F3A -48.4(13) . . . . ?
O2 C28 C29 F1 -37.6(8) . . . . ?
O2 C28 C29 F2 -152.8(7) . . . . ?
O2 C28 C29 F3 84.9(9) . . . . ?
O2 C28 C29 F1A 39.1(12) . . . . ?
O2 C28 C29 F2A -88(2) . . . . ?
O2 C28 C29 F3A 129.9(12) . . . . ?
O3 C30 C31 F4 51.0(9) . . . . ?
O3 C30 C31 F5 -67.7(8) . . . . ?
O3 C30 C31 F6 170.0(7) . . . . ?
O4 C30 C31 F4 -126.9(7) . . . . ?
O4 C30 C31 F5 114.4(7) . . . . ?
O4 C30 C31 F6 -7.9(10) . . . . ?
O5 C32 C33 F7 -80.0(8) . . . . ?
O5 C32 C33 F8 160.5(7) . . . . ?
O5 C32 C33 F9 34.8(8) . . . . ?
O6 C32 C33 F7 97.3(8) . . . . ?
O6 C32 C33 F8 -22.1(10) . . . . ?
O6 C32 C33 F9 -147.9(6) . . . . ?
O7 C34 C35 F10 -93.9(12) . . . . ?
O7 C34 C35 F11 22.9(12) . . . . ?
O7 C34 C35 F12 138.7(12) . . . . ?
O7 C34 C35 F11A -160.2(10) . . . . ?
O7 C34 C35 F12A 70.9(15) . . . . ?
O7 C34 C35 F10A -61.6(11) . . . . ?
O8 C34 C35 F10 88.5(12) . . . . ?
O8 C34 C35 F11 -154.8(11) . . . . ?
O8 C34 C35 F12 -39.0(13) . . . . ?
O8 C34 C35 F11A 22.2(12) . . . . ?
O8 C34 C35 F12A -106.8(15) . . . . ?
O8 C34 C35 F10A 120.7(10) . . . . ?
O9 C36 C37 F13 -78.6(9) . . . . ?
O9 C36 C37 F14 47.1(9) . . . . ?
O9 C36 C37 F15 161.8(7) . . . . ?
O10 C36 C37 F13 99.8(9) . . . . ?
O10 C36 C37 F14 -134.5(8) . . . . ?
O10 C36 C37 F15 -19.8(9) . . . . ?
O11 C38 C39 F16A -134.0(12) . . . . ?
O11 C38 C39 F17A -6.8(14) . . . . ?
O11 C38 C39 F18A 113.0(11) . . . . ?
O11A C38 C39 F16 132(2) . . . . ?
O11A C38 C39 F17 -112.6(17) . . . . ?
O11A C38 C39 F18 -3(2) . . . . ?
O12 C38 C39 F16A 46.9(14) . . . . ?
O12 C38 C39 F17A 174.0(13) . . . . ?
O12 C38 C39 F18A -66.1(12) . . . . ?
O12A C38 C39 F16 -49(3) . . . . ?
O12A C38 C39 F17 66(2) . . . . ?
O12A C38 C39 F18 176(2) . . . . ?
N1 C4 C5 C6 -179.8(7) . . . . ?
N2 C13 C14 C15 178.9(4) . . . . ?
N3 C22 C23 C24 179.8(4) . . . . ?
C1 C2 C3 C4 0.0(15) . . . . ?
C2 C1 C6 C5 2.7(11) . . . . ?
C2 C3 C4 N1 178.2(8) . . . . ?
C2 C3 C4 C5 6.1(13) . . . . ?
C3 C4 C5 C6 -7.6(12) . . . . ?
C4 C5 C6 C1 3.3(13) . . . . ?
C6 C1 C2 C3 -4.3(12) . . . . ?
C7 N1 C4 C3 151.1(8) . . . . ?
C7 N1 C4 C5 -37.0(9) . . . . ?
C8 N1 C4 C3 33.1(10) . . . . ?
C8 N1 C4 C5 -154.9(8) . . . . ?
C9 N1 C4 C3 -92.2(9) . . . . ?
C9 N1 C4 C5 79.7(9) . . . . ?
C10 C11 C12 C13 -1.7(8) . . . . ?
C11 C10 C15 C14 2.0(7) . . . . ?
C11 C12 C13 N2 -177.6(4) . . . . ?
C11 C12 C13 C14 2.8(8) . . . . ?
C12 C13 C14 C15 -1.4(8) . . . . ?
C13 C14 C15 C10 -1.0(7) . . . . ?
C15 C10 C11 C12 -0.7(7) . . . . ?
C16 N2 C13 C12 49.2(6) . . . . ?
C16 N2 C13 C14 -131.2(5) . . . . ?
C17 N2 C13 C12 169.8(5) . . . . ?
C17 N2 C13 C14 -10.6(7) . . . . ?
C18 N2 C13 C12 -70.0(6) . . . . ?
C18 N2 C13 C14 109.6(5) . . . . ?
C19 C20 C21 C22 0.0(8) . . . . ?
C20 C19 C24 C23 -0.3(7) . . . . ?
C20 C21 C22 N3 180.0(5) . . . . ?
C20 C21 C22 C23 0.2(8) . . . . ?
C21 C22 C23 C24 -0.5(8) . . . . ?
C22 C23 C24 C19 0.5(8) . . . . ?
C24 C19 C20 C21 0.0(7) . . . . ?
C25 N3 C22 C21 65.4(7) . . . . ?
C25 N3 C22 C23 -114.8(7) . . . . ?
C26 N3 C22 C21 -57.2(7) . . . . ?
C26 N3 C22 C23 122.6(6) . . . . ?
C27 N3 C22 C21 -172.1(6) . . . . ?
C27 N3 C22 C23 7.7(7) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.215 0.750 0.307 120.8 32.0 ?
2 0.215 0.750 0.807 120.8 29.0 ?
3 0.285 0.250 0.307 120.8 28.9 ?
4 0.285 0.250 0.807 120.8 31.9 ?
5 0.715 0.750 0.193 120.8 28.3 ?
6 0.715 0.750 0.693 120.8 31.3 ?
7 0.785 0.250 0.193 120.8 31.2 ?
8 0.785 0.250 0.693 120.8 28.2 ?


_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_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1974470'
loop_
_audit_author_name
_audit_author_address
'XuRan Chen'
;Soochow university
China
;
_audit_update_record             
;
2019-12-28 deposited with the CCDC.	2020-02-20 downloaded from the CCDC.
;
_audit_creation_date             2019-12-28
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.10.11 svn.r3662 for OlexSys, GUI svn.r5962)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H78 Ag12 F36 N6 O24 S6, C6 H14 N2 O2'
_chemical_formula_sum            'C84 H92 Ag12 F36 N8 O26 S6'
_chemical_formula_weight         3800.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.2957(17)
_cell_length_b                   20.8495(10)
_cell_length_c                   22.4448(12)
_cell_angle_alpha                90
_cell_angle_beta                 114.615(2)
_cell_angle_gamma                90
_cell_volume                     12888.9(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9984
_cell_measurement_temperature    190.0
_cell_measurement_theta_max      27.338
_cell_measurement_theta_min      2.424
_shelx_estimated_absorpt_T_max   0.826
_shelx_estimated_absorpt_T_min   0.691
_exptl_absorpt_coefficient_mu    1.992
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5965
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1398 before and 0.0657 after correction.
The Ratio of minimum to maximum transmission is 0.8000.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.959
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7376
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            123394
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         27.521
_diffrn_reflns_theta_min         2.192
_diffrn_ambient_temperature      190.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71065
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11327
_reflns_number_total             14827
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.974
_refine_diff_density_min         -1.204
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     948
_refine_ls_number_reflns         14827
_refine_ls_number_restraints     155
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0394
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0364P)²+87.3217P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0959
_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
 F7-F8 \\sim F7-F9 \\sim F9-F8
 with sigma of 0.02
 F7A-F8A \\sim F7A-F9A \\sim F9A-F8A
 with sigma of 0.02
 F13B-F14B \\sim F14B-F15B \\sim F15B-F13B
 with sigma of 0.02
 F13-F14 \\sim F14-F15 \\sim F15-F13
 with sigma of 0.02
 F13A-F14A \\sim F14A-F15A \\sim F15A-F13A
 with sigma of 0.02
 F13A-C35 \\sim F14A-C35 \\sim F15A-C35
 with sigma of 0.02
 F4A-F5A \\sim F5A-F6A \\sim F6A-F4A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F7A \\sim F8A \\sim F9A: within 3A with sigma of 0.001 and sigma for terminal
atoms of 0.002 within 3A
F16B \\sim F17B \\sim F18B: within 3A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 3A
F16 \\sim F17 \\sim F18: within 3A with sigma of 0.001 and sigma for terminal
atoms of 0.002 within 3A
F16A \\sim F17A \\sim F18A: within 3A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 3A
C38 \\sim C39: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002 within 2A
F13B \\sim F14B \\sim F15B: within 3A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 3A
F13A \\sim F14A \\sim F15A: within 3A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 3A
F13 \\sim F14 \\sim F15: within 3A with sigma of 0.001 and sigma for terminal
atoms of 0.002 within 3A
Uanis(F7) = Uanis(F7A)
4. Others
 1*[Sof(F16)+Sof(F17)+Sof(F18)]+1*[Sof(F16A)+Sof(F17A)+Sof(F18A)]+1*[Sof(F16B)+
 Sof(F17B)+Sof(F18B)]=1 with esd of 0.0001
 1*[Sof(F13)+Sof(F14)+Sof(F15)]+1*[Sof(F13A)+Sof(F14A)+Sof(F15A)]+1*[Sof(F13B)+
 Sof(F14B)+Sof(F15B)]=1 with esd of 0.0001
 Sof(F16)=Sof(F17)=Sof(F18)=FVAR(1)
 Sof(F16A)=Sof(F17A)=Sof(F18A)=FVAR(2)
 Sof(F16B)=Sof(F17B)=Sof(F18B)=FVAR(3)
 Sof(F7A)=Sof(F8A)=Sof(F9A)=1-FVAR(4)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(4)
 Sof(F13)=Sof(F14)=Sof(F15)=FVAR(5)
 Sof(F13A)=Sof(F14A)=Sof(F15A)=FVAR(6)
 Sof(F13B)=Sof(F14B)=Sof(F15B)=FVAR(7)
 Sof(F4A)=Sof(F5A)=Sof(F6A)=1-FVAR(8)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(8)
 Sof(O2A)=1-FVAR(9)
 Sof(O2)=FVAR(9)
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C11(H11), C12(H12), C14(H14), C15(H15),
 C20(H20), C21(H21), C23(H23), C24(H24), C40(H40)
5.b Fitted hexagon refined as free rotating group:
 C19(C20,C21,C22,C23,C24)
5.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C27(H27A,H27B,H27C), C41(H41A,H41B,H41C), 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 0.28920(2) 0.60190(2) 0.47165(2) 0.03027(8) Uani 1 1 d . . . . .
Ag2 Ag 0.31768(2) 0.65504(2) 0.60639(2) 0.02907(8) Uani 1 1 d . . . . .
Ag3 Ag 0.36248(2) 0.78334(2) 0.59058(2) 0.03883(9) Uani 1 1 d . . . . .
Ag4 Ag 0.34819(2) 0.75999(2) 0.43883(2) 0.04011(9) Uani 1 1 d . . . . .
Ag5 Ag 0.23370(2) 0.71925(2) 0.39912(2) 0.02916(8) Uani 1 1 d . . . . .
Ag6 Ag 0.20789(2) 0.57352(2) 0.53463(2) 0.05089(12) Uani 1 1 d . . . . .
S1 S 0.35786(4) 0.68186(5) 0.53017(5) 0.0234(2) Uani 1 1 d . . . . .
S2 S 0.26531(4) 0.82663(4) 0.39247(4) 0.02115(19) Uani 1 1 d . . . . .
S3 S 0.19864(4) 0.62363(4) 0.42886(5) 0.02255(19) Uani 1 1 d . . . . .
F1 F 0.3895(2) 0.6895(2) 0.84442(18) 0.1081(17) Uani 1 1 d . . . . .
F2 F 0.44025(17) 0.7481(3) 0.8375(2) 0.129(2) Uani 1 1 d . . . . .
F3 F 0.3755(3) 0.7867(3) 0.8264(2) 0.175(4) Uani 1 1 d . . . . .
F4 F 0.5038(4) 0.9087(8) 0.5964(8) 0.104(5) Uani 0.57(4) 1 d . . P A 1
F4A F 0.4767(8) 0.9229(12) 0.5117(15) 0.120(10) Uani 0.43(4) 1 d D . P A 2
F5 F 0.4690(8) 0.9348(12) 0.4987(8) 0.142(10) Uani 0.57(4) 1 d . . P A 1
F5A F 0.4265(12) 0.9861(6) 0.5232(18) 0.122(8) Uani 0.43(4) 1 d D . P A 2
F6 F 0.4510(7) 0.9783(8) 0.5711(19) 0.142(9) Uani 0.57(4) 1 d . . P A 1
F6A F 0.4824(15) 0.946(2) 0.6058(8) 0.19(2) Uani 0.43(4) 1 d D . P A 2
F7 F 0.4423(6) 0.6742(7) 0.2900(8) 0.118(2) Uani 0.397(8) 1 d D . P B 1
F7A F 0.4092(4) 0.6814(5) 0.2618(5) 0.118(2) Uani 0.603(8) 1 d D U P B 2
F8 F 0.3895(5) 0.7496(6) 0.2529(5) 0.104(5) Uani 0.397(8) 1 d D . P B 1
F8A F 0.4340(4) 0.7754(5) 0.2961(6) 0.118(2) Uani 0.603(8) 1 d D U P B 2
F9 F 0.4602(4) 0.7725(6) 0.3321(6) 0.085(4) Uani 0.397(8) 1 d D . P B 1
F9A F 0.4765(3) 0.6951(5) 0.3418(5) 0.116(2) Uani 0.603(8) 1 d D U P B 2
F10 F 0.33924(11) 0.55974(14) 0.28568(14) 0.0489(7) Uani 1 1 d . . . . .
F11 F 0.30992(12) 0.65322(13) 0.24989(14) 0.0489(7) Uani 1 1 d . . . . .
F12 F 0.26295(11) 0.57187(16) 0.23516(14) 0.0529(8) Uani 1 1 d . . . . .
F13 F 0.2313(4) 0.3419(4) 0.6065(5) 0.086(2) Uani 0.439(3) 1 d D U P C 1
F13A F 0.2045(8) 0.3524(8) 0.6278(8) 0.119(4) Uani 0.317(3) 1 d D U P C 2
F13B F 0.1847(9) 0.3837(12) 0.6362(12) 0.123(6) Uani 0.244(3) 1 d D U P C 3
F14 F 0.1608(5) 0.3293(5) 0.5286(6) 0.084(2) Uani 0.439(3) 1 d D U P C 1
F14A F 0.1659(9) 0.3198(8) 0.5396(10) 0.119(4) Uani 0.317(3) 1 d D U P C 2
F14B F 0.2148(9) 0.3264(9) 0.5717(11) 0.124(6) Uani 0.244(3) 1 d D U P C 3
F15 F 0.1689(5) 0.3768(5) 0.6178(6) 0.082(2) Uani 0.439(3) 1 d D U P C 1
F15A F 0.1385(7) 0.3839(7) 0.5780(10) 0.118(4) Uani 0.317(3) 1 d D U P C 2
F15B F 0.1324(9) 0.3582(10) 0.5278(10) 0.123(6) Uani 0.244(3) 1 d D U P C 3
F16 F 0.3514(5) 0.3928(5) 0.5824(5) 0.0588(19) Uani 0.395(3) 1 d . U P D 1
F16A F 0.3700(6) 0.4013(8) 0.5812(7) 0.040(2) Uani 0.250(3) 1 d . U P D 2
F16B F 0.3878(5) 0.4200(5) 0.5980(7) 0.065(2) Uani 0.354(3) 1 d . U P D 3
F17 F 0.4086(4) 0.4490(4) 0.6521(5) 0.0621(18) Uani 0.395(3) 1 d . U P D 1
F17A F 0.3963(6) 0.4439(6) 0.6785(6) 0.041(2) Uani 0.250(3) 1 d . U P D 2
F17B F 0.3720(6) 0.4288(6) 0.6823(6) 0.064(2) Uani 0.354(3) 1 d . U P D 3
F18 F 0.3478(5) 0.4209(5) 0.6705(6) 0.0576(18) Uani 0.395(3) 1 d . U P D 1
F18A F 0.3227(5) 0.4046(6) 0.6323(7) 0.043(2) Uani 0.250(3) 1 d . U P D 2
F18B F 0.3199(5) 0.3918(5) 0.5930(6) 0.066(2) Uani 0.354(3) 1 d . U P D 3
O1 O 0.37369(14) 0.67307(17) 0.71961(17) 0.0519(9) Uani 1 1 d . . . . .
O2 O 0.3661(4) 0.7769(2) 0.7027(2) 0.071(3) Uani 0.824(18) 1 d . . P E 1
O3 O 0.42709(14) 0.8456(2) 0.59298(18) 0.0592(11) Uani 1 1 d . . . . .
O4 O 0.38845(15) 0.86841(19) 0.48643(18) 0.0584(11) Uani 1 1 d . . . . .
O5 O 0.38740(15) 0.76262(17) 0.37240(18) 0.0513(9) Uani 1 1 d . . . . .
O6 O 0.40674(15) 0.65943(18) 0.3852(2) 0.0668(12) Uani 1 1 d . . . . .
O7 O 0.28352(12) 0.66766(13) 0.34730(15) 0.0345(7) Uani 1 1 d . . . . .
O8 O 0.30636(12) 0.56682(13) 0.38025(14) 0.0334(7) Uani 1 1 d . . . . .
O9 O 0.19780(19) 0.48168(18) 0.5764(2) 0.0706(13) Uani 1 1 d . . . . .
O10 O 0.1926(2) 0.4268(2) 0.4888(2) 0.0845(16) Uani 1 1 d . . . . .
O11 O 0.31683(13) 0.50621(15) 0.53198(14) 0.0395(8) Uani 1 1 d . . . . .
O12 O 0.33861(15) 0.54532(15) 0.63355(16) 0.0493(9) Uani 1 1 d . . . . .
N1 N 0.53677(13) 0.51506(18) 0.65140(17) 0.0328(8) Uani 1 1 d . . . . .
N2 N 0.20890(13) 0.88637(16) 0.10610(16) 0.0281(8) Uani 1 1 d . . . . .
N3 N 0.11931(15) 0.4457(2) 0.1955(2) 0.0451(11) Uani 1 1 d . . . . .
C1 C 0.41189(14) 0.63550(18) 0.56554(19) 0.0222(8) Uani 1 1 d . . . . .
C2 C 0.41510(14) 0.57823(19) 0.5361(2) 0.0262(8) Uani 1 1 d . . . . .
H2 H 0.389260 0.565490 0.496195 0.031 Uiso 1 1 calc R U . . .
C3 C 0.45558(15) 0.5396(2) 0.5645(2) 0.0279(9) Uani 1 1 d . . . . .
H3 H 0.457292 0.500077 0.544456 0.034 Uiso 1 1 calc R U . . .
C4 C 0.49347(14) 0.55842(19) 0.6218(2) 0.0262(8) Uani 1 1 d . . . . .
C5 C 0.49162(16) 0.6156(2) 0.6510(2) 0.0367(10) Uani 1 1 d . . . . .
H5 H 0.518198 0.628728 0.690028 0.044 Uiso 1 1 calc R U . . .
C6 C 0.45045(16) 0.6544(2) 0.6230(2) 0.0337(10) Uani 1 1 d . . . . .
H6 H 0.448834 0.693739 0.643343 0.040 Uiso 1 1 calc R U . . .
C7 C 0.55540(19) 0.4970(3) 0.6010(3) 0.0493(13) Uani 1 1 d . . . . .
H7A H 0.530334 0.472889 0.565483 0.074 Uiso 1 1 calc R U . . .
H7B H 0.584522 0.470365 0.621572 0.074 Uiso 1 1 calc R U . . .
H7C H 0.563449 0.535952 0.583206 0.074 Uiso 1 1 calc R U . . .
C8 C 0.5216(2) 0.4531(3) 0.6715(3) 0.0580(15) Uani 1 1 d . . . . .
H8A H 0.507928 0.461793 0.703253 0.087 Uiso 1 1 calc R U . . .
H8B H 0.549922 0.424934 0.691422 0.087 Uiso 1 1 calc R U . . .
H8C H 0.497084 0.432027 0.632796 0.087 Uiso 1 1 calc R U . . .
C9 C 0.5775(2) 0.5432(3) 0.7102(3) 0.067(2) Uani 1 1 d . . . . .
H9A H 0.590230 0.581214 0.696914 0.101 Uiso 1 1 calc R U . . .
H9B H 0.603413 0.511382 0.729109 0.101 Uiso 1 1 calc R U . . .
H9C H 0.565410 0.555478 0.742830 0.101 Uiso 1 1 calc R U . . .
C10 C 0.24748(14) 0.84283(17) 0.30728(18) 0.0201(7) Uani 1 1 d . . . . .
C11 C 0.25241(17) 0.79636(19) 0.2661(2) 0.0312(10) Uani 1 1 d . . . . .
H11 H 0.264707 0.755199 0.283127 0.037 Uiso 1 1 calc R U . . .
C12 C 0.23959(18) 0.8095(2) 0.2007(2) 0.0348(10) Uani 1 1 d . . . . .
H12 H 0.243066 0.777552 0.172784 0.042 Uiso 1 1 calc R U . . .
C13 C 0.22162(15) 0.86953(18) 0.17610(18) 0.0243(8) Uani 1 1 d . . . . .
C14 C 0.21736(17) 0.91629(19) 0.2167(2) 0.0305(9) Uani 1 1 d . . . . .
H14 H 0.205790 0.957722 0.199755 0.037 Uiso 1 1 calc R U . . .
C15 C 0.22984(16) 0.90305(19) 0.28179(19) 0.0280(9) Uani 1 1 d . . . . .
H15 H 0.226388 0.935248 0.309501 0.034 Uiso 1 1 calc R U . . .
C16 C 0.2084(2) 0.8293(2) 0.0655(2) 0.0470(13) Uani 1 1 d . . . . .
H16A H 0.240906 0.810354 0.082251 0.070 Uiso 1 1 calc R U . . .
H16B H 0.198495 0.842509 0.019896 0.070 Uiso 1 1 calc R U . . .
H16C H 0.185308 0.797465 0.067900 0.070 Uiso 1 1 calc R U . . .
C17 C 0.15951(16) 0.9178(2) 0.0760(2) 0.0347(10) Uani 1 1 d . . . . .
H17A H 0.135139 0.888447 0.078740 0.052 Uiso 1 1 calc R U . . .
H17B H 0.151308 0.927824 0.029932 0.052 Uiso 1 1 calc R U . . .
H17C H 0.160029 0.957391 0.099758 0.052 Uiso 1 1 calc R U . . .
C18 C 0.24649(17) 0.9330(2) 0.1037(2) 0.0355(10) Uani 1 1 d . . . . .
H18A H 0.246102 0.972109 0.127695 0.053 Uiso 1 1 calc R U . . .
H18B H 0.238958 0.943759 0.058002 0.053 Uiso 1 1 calc R U . . .
H18C H 0.278737 0.913237 0.123922 0.053 Uiso 1 1 calc R U . . .
C19 C 0.17326(10) 0.57368(11) 0.35804(10) 0.0228(8) Uani 1 1 d G . . . .
C20 C 0.14939(11) 0.51774(12) 0.36124(11) 0.0319(9) Uani 1 1 d G . . . .
H20 H 0.145659 0.507478 0.400125 0.038 Uiso 1 1 calc R U . . .
C21 C 0.13096(11) 0.47681(11) 0.30754(13) 0.0376(10) Uani 1 1 d G . . . .
H21 H 0.114645 0.438576 0.309722 0.045 Uiso 1 1 calc R U . . .
C22 C 0.13642(11) 0.49182(12) 0.25063(11) 0.0338(10) Uani 1 1 d G . . . .
C23 C 0.16029(11) 0.54777(14) 0.24743(10) 0.0353(10) Uani 1 1 d G . . . .
H23 H 0.164020 0.558026 0.208545 0.042 Uiso 1 1 calc R U . . .
C24 C 0.17872(10) 0.58869(11) 0.30114(12) 0.0322(9) Uani 1 1 d G . . . .
H24 H 0.195035 0.626929 0.298948 0.039 Uiso 1 1 calc R U . . .
C25 C 0.0678(2) 0.4339(4) 0.1718(4) 0.092(3) Uani 1 1 d . . . . .
H25A H 0.060553 0.417871 0.207882 0.138 Uiso 1 1 calc R U . . .
H25B H 0.057866 0.401856 0.136718 0.138 Uiso 1 1 calc R U . . .
H25C H 0.049928 0.473871 0.154921 0.138 Uiso 1 1 calc R U . . .
C26 C 0.1451(3) 0.3821(3) 0.2205(4) 0.096(3) Uani 1 1 d . . . . .
H26A H 0.180339 0.388917 0.239372 0.144 Uiso 1 1 calc R U . . .
H26B H 0.135963 0.351659 0.184081 0.144 Uiso 1 1 calc R U . . .
H26C H 0.135728 0.364938 0.254174 0.144 Uiso 1 1 calc R U . . .
C27 C 0.1336(4) 0.4622(5) 0.1428(4) 0.126(4) Uani 1 1 d . . . . .
H27A H 0.117331 0.501938 0.121564 0.190 Uiso 1 1 calc R U . . .
H27B H 0.124209 0.427446 0.110453 0.190 Uiso 1 1 calc R U . . .
H27C H 0.168858 0.468275 0.160921 0.190 Uiso 1 1 calc R U . . .
C28 C 0.3749(2) 0.7277(2) 0.7373(2) 0.0458(13) Uani 1 1 d . . . . .
C29 C 0.3934(2) 0.7393(3) 0.8115(3) 0.0509(13) Uani 1 1 d . . . . .
C30 C 0.42021(19) 0.8748(3) 0.5420(2) 0.0445(12) Uani 1 1 d . . . . .
C31 C 0.4573(3) 0.9282(4) 0.5495(3) 0.080(2) Uani 1 1 d . . . . .
C32 C 0.33452(16) 0.50381(19) 0.5923(2) 0.0289(9) Uani 1 1 d . . . . .
C33 C 0.3569(2) 0.4391(2) 0.6214(2) 0.0441(13) Uani 1 1 d . . . . .
C34 C 0.1921(2) 0.4341(2) 0.5424(3) 0.0498(13) Uani 1 1 d . . . . .
C35 C 0.1808(4) 0.3730(3) 0.5701(3) 0.086(3) Uani 1 1 d D . . . .
C36 C 0.29796(15) 0.61338(19) 0.3425(2) 0.0266(9) Uani 1 1 d . . . . .
C37 C 0.30317(16) 0.6004(2) 0.2781(2) 0.0308(9) Uani 1 1 d . . . . .
C38 C 0.4051(2) 0.7118(3) 0.3630(3) 0.0608(12) Uani 1 1 d . U . . .
C39 C 0.4283(3) 0.7205(3) 0.3163(4) 0.0640(12) Uani 1 1 d . U . . .
O13 O 0.53741(14) 0.60881(18) 0.4910(2) 0.0557(10) Uani 1 1 d . . . . .
N29 N 0.52540(18) 0.7154(2) 0.4927(3) 0.0612(14) Uani 1 1 d . . . . .
C40 C 0.5157(2) 0.6556(3) 0.4986(3) 0.0465(12) Uani 1 1 d . . . . .
H40 H 0.489251 0.647273 0.509858 0.056 Uiso 1 1 calc R U . . .
C41 C 0.5642(3) 0.7316(5) 0.4759(6) 0.143(5) Uani 1 1 d . . . . .
H41A H 0.551178 0.750285 0.431870 0.214 Uiso 1 1 calc R U . . .
H41B H 0.582790 0.692877 0.476756 0.214 Uiso 1 1 calc R U . . .
H41C H 0.585446 0.762772 0.507536 0.214 Uiso 1 1 calc R U . . .
C42 C 0.4977(3) 0.7673(3) 0.5044(4) 0.107(3) Uani 1 1 d . . . . .
H42A H 0.482750 0.793553 0.464768 0.161 Uiso 1 1 calc R U . . .
H42B H 0.519358 0.793963 0.540718 0.161 Uiso 1 1 calc R U . . .
H42C H 0.472212 0.749123 0.515529 0.161 Uiso 1 1 calc R U . . .
O2A O 0.3361(10) 0.7719(9) 0.7198(10) 0.040(9) Uani 0.176(18) 1 d . . P E 2


_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 2.9906(5) . ?
Ag1 Ag5 3.0304(5) . ?
Ag1 Ag6 3.3643(6) . ?
Ag1 S1 2.5601(10) . ?
Ag1 S3 2.5418(11) . ?
Ag1 O8 2.429(3) . ?
Ag1 O11 2.360(3) . ?
Ag2 Ag3 3.0863(5) . ?
Ag2 Ag5 3.0245(5) 7_566 ?
Ag2 S1 2.5409(10) . ?
Ag2 S2 2.5536(10) 7_566 ?
Ag2 O1 2.426(3) . ?
Ag2 O12 2.384(3) . ?
Ag3 Ag4 3.2859(6) . ?
Ag3 Ag5 3.0179(5) 7_566 ?
Ag3 S1 2.4854(10) . ?
Ag3 S3 2.5899(10) 7_566 ?
Ag3 O2 2.477(7) . ?
Ag3 O3 2.331(4) . ?
Ag4 Ag5 3.3122(5) . ?
Ag4 S1 2.5381(10) . ?
Ag4 S2 2.6723(10) . ?
Ag4 O4 2.579(4) . ?
Ag4 O5 2.261(4) . ?
Ag5 S2 2.4638(10) . ?
Ag5 S3 2.4777(10) . ?
Ag5 O7 2.500(3) . ?
Ag6 S2 2.5620(10) 7_566 ?
Ag6 S3 2.5004(10) . ?
Ag6 O9 2.208(4) . ?
S1 C1 1.778(4) . ?
S2 C10 1.789(4) . ?
S3 C19 1.7844(19) . ?
F1 C29 1.308(7) . ?
F2 C29 1.304(7) . ?
F3 C29 1.237(7) . ?
F4 C31 1.423(15) . ?
F4A C31 1.22(2) . ?
F5 C31 1.335(18) . ?
F5A C31 1.49(3) . ?
F6 C31 1.199(14) . ?
F6A C31 1.230(18) . ?
F7 C39 1.293(15) . ?
F7A C39 1.380(12) . ?
F8 C39 1.543(14) . ?
F8A C39 1.269(12) . ?
F9 C39 1.397(13) . ?
F9A C39 1.429(11) . ?
F10 C37 1.336(5) . ?
F11 C37 1.328(5) . ?
F12 C37 1.337(5) . ?
F13 C35 1.544(15) . ?
F13A C35 1.266(16) . ?
F13B C35 1.46(3) . ?
F14 C35 1.263(14) . ?
F14A C35 1.282(18) . ?
F14B C35 1.41(3) . ?
F15 C35 1.267(14) . ?
F15A C35 1.385(16) . ?
F15B C35 1.41(2) . ?
F16 C33 1.266(12) . ?
F16A C33 1.374(16) . ?
F16B C33 1.311(14) . ?
F17 C33 1.439(11) . ?
F17A C33 1.343(14) . ?
F17B C33 1.266(14) . ?
F18 C33 1.300(11) . ?
F18A C33 1.366(14) . ?
F18B C33 1.428(13) . ?
O1 C28 1.202(6) . ?
O2 C28 1.246(7) . ?
O3 C30 1.235(6) . ?
O4 C30 1.224(6) . ?
O5 C38 1.245(7) . ?
O6 C38 1.193(7) . ?
O7 C36 1.234(5) . ?
O8 C36 1.243(5) . ?
O9 C34 1.219(6) . ?
O10 C34 1.219(7) . ?
O11 C32 1.232(5) . ?
O12 C32 1.235(5) . ?
N1 C4 1.501(5) . ?
N1 C7 1.507(6) . ?
N1 C8 1.502(7) . ?
N1 C9 1.500(6) . ?
N2 C13 1.495(5) . ?
N2 C16 1.495(6) . ?
N2 C17 1.510(6) . ?
N2 C18 1.515(6) . ?
N3 C22 1.480(4) . ?
N3 C25 1.446(7) . ?
N3 C26 1.523(8) . ?
N3 C27 1.460(9) . ?
C1 C2 1.387(5) . ?
C1 C6 1.389(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.381(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.378(6) . ?
C4 C5 1.372(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(6) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.389(5) . ?
C10 C15 1.391(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.381(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(6) . ?
C13 C14 1.377(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.376(6) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 H20 0.9500 . ?
C20 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 H23 0.9500 . ?
C23 C24 1.3900 . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.538(7) . ?
C28 O2A 1.41(2) . ?
C30 C31 1.540(8) . ?
C32 C33 1.528(6) . ?
C34 C35 1.516(8) . ?
C36 C37 1.542(6) . ?
C38 C39 1.495(9) . ?
O13 C40 1.227(6) . ?
N29 C40 1.302(7) . ?
N29 C41 1.416(11) . ?
N29 C42 1.459(9) . ?
C40 H40 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag2 Ag1 Ag5 96.082(13) . . ?
Ag2 Ag1 Ag6 66.018(12) . . ?
Ag5 Ag1 Ag6 91.613(13) . . ?
S1 Ag1 Ag2 53.81(2) . . ?
S1 Ag1 Ag5 84.28(2) . . ?
S1 Ag1 Ag6 118.66(3) . . ?
S3 Ag1 Ag2 97.32(2) . . ?
S3 Ag1 Ag5 51.90(2) . . ?
S3 Ag1 Ag6 47.62(2) . . ?
S3 Ag1 S1 126.60(3) . . ?
O8 Ag1 Ag2 153.17(8) . . ?
O8 Ag1 Ag5 93.18(7) . . ?
O8 Ag1 Ag6 138.90(8) . . ?
O8 Ag1 S1 102.44(8) . . ?
O8 Ag1 S3 108.15(8) . . ?
O11 Ag1 Ag2 81.31(7) . . ?
O11 Ag1 Ag5 167.29(9) . . ?
O11 Ag1 Ag6 75.94(9) . . ?
O11 Ag1 S1 103.76(8) . . ?
O11 Ag1 S3 115.88(9) . . ?
O11 Ag1 O8 94.62(10) . . ?
Ag1 Ag2 Ag3 99.222(13) . . ?
Ag1 Ag2 Ag5 110.663(13) . 7_566 ?
Ag5 Ag2 Ag3 59.179(11) 7_566 . ?
S1 Ag2 Ag1 54.41(2) . . ?
S1 Ag2 Ag3 51.31(2) . . ?
S1 Ag2 Ag5 99.46(2) . 7_566 ?
S1 Ag2 S2 136.35(3) . 7_566 ?
S2 Ag2 Ag1 101.25(2) 7_566 . ?
S2 Ag2 Ag3 110.69(2) 7_566 . ?
S2 Ag2 Ag5 51.58(2) 7_566 7_566 ?
O1 Ag2 Ag1 153.88(10) . . ?
O1 Ag2 Ag3 80.61(9) . . ?
O1 Ag2 Ag5 91.84(9) . 7_566 ?
O1 Ag2 S1 110.42(10) . . ?
O1 Ag2 S2 103.20(10) . 7_566 ?
O12 Ag2 Ag1 80.63(8) . . ?
O12 Ag2 Ag3 141.09(10) . . ?
O12 Ag2 Ag5 156.85(9) . 7_566 ?
O12 Ag2 S1 103.44(9) . . ?
O12 Ag2 S2 107.41(10) . 7_566 ?
O12 Ag2 O1 83.42(12) . . ?
Ag2 Ag3 Ag4 96.681(13) . . ?
Ag5 Ag3 Ag2 59.389(11) 7_566 . ?
Ag5 Ag3 Ag4 111.231(15) 7_566 . ?
S1 Ag3 Ag2 52.94(2) . . ?
S1 Ag3 Ag4 49.85(2) . . ?
S1 Ag3 Ag5 100.94(3) . 7_566 ?
S1 Ag3 S3 132.21(3) . 7_566 ?
S3 Ag3 Ag2 110.53(3) 7_566 . ?
S3 Ag3 Ag4 99.21(2) 7_566 . ?
S3 Ag3 Ag5 51.76(2) 7_566 7_566 ?
O2 Ag3 Ag2 70.81(15) . . ?
O2 Ag3 Ag4 167.46(14) . . ?
O2 Ag3 Ag5 63.7(2) . 7_566 ?
O2 Ag3 S1 118.46(11) . . ?
O2 Ag3 S3 86.44(17) . 7_566 ?
O3 Ag3 Ag2 152.32(11) . . ?
O3 Ag3 Ag4 81.57(10) . . ?
O3 Ag3 Ag5 146.77(11) . 7_566 ?
O3 Ag3 S1 110.05(11) . . ?
O3 Ag3 S3 96.96(11) . 7_566 ?
O3 Ag3 O2 109.0(2) . . ?
Ag3 Ag4 Ag5 89.312(13) . . ?
S1 Ag4 Ag3 48.46(2) . . ?
S1 Ag4 Ag5 78.95(2) . . ?
S1 Ag4 S2 114.95(3) . . ?
S1 Ag4 O4 110.63(9) . . ?
S2 Ag4 Ag3 91.34(2) . . ?
S2 Ag4 Ag5 47.14(2) . . ?
O4 Ag4 Ag3 66.76(9) . . ?
O4 Ag4 Ag5 126.71(10) . . ?
O4 Ag4 S2 84.90(10) . . ?
O5 Ag4 Ag3 143.26(11) . . ?
O5 Ag4 Ag5 127.42(11) . . ?
O5 Ag4 S1 129.24(10) . . ?
O5 Ag4 S2 113.40(10) . . ?
O5 Ag4 O4 87.95(14) . . ?
Ag1 Ag5 Ag4 77.171(12) . . ?
Ag2 Ag5 Ag1 151.959(15) 7_566 . ?
Ag2 Ag5 Ag4 104.604(13) 7_566 . ?
Ag3 Ag5 Ag1 106.369(13) 7_566 . ?
Ag3 Ag5 Ag2 61.433(11) 7_566 7_566 ?
Ag3 Ag5 Ag4 156.961(15) 7_566 . ?
S2 Ag5 Ag1 128.57(3) . . ?
S2 Ag5 Ag2 54.30(2) . 7_566 ?
S2 Ag5 Ag3 115.65(3) . 7_566 ?
S2 Ag5 Ag4 52.66(2) . . ?
S2 Ag5 S3 165.58(3) . . ?
S2 Ag5 O7 92.15(7) . . ?
S3 Ag5 Ag1 53.84(2) . . ?
S3 Ag5 Ag2 115.93(3) . 7_566 ?
S3 Ag5 Ag3 55.18(2) . 7_566 ?
S3 Ag5 Ag4 130.71(3) . . ?
S3 Ag5 O7 100.88(7) . . ?
O7 Ag5 Ag1 66.12(7) . . ?
O7 Ag5 Ag2 138.93(7) . 7_566 ?
O7 Ag5 Ag3 144.80(8) . 7_566 ?
O7 Ag5 Ag4 57.86(8) . . ?
S2 Ag6 Ag1 91.87(3) 7_566 . ?
S3 Ag6 Ag1 48.67(2) . . ?
S3 Ag6 S2 98.46(3) . 7_566 ?
O9 Ag6 Ag1 125.86(13) . . ?
O9 Ag6 S2 119.79(11) . 7_566 ?
O9 Ag6 S3 141.68(11) . . ?
Ag2 S1 Ag1 71.78(3) . . ?
Ag3 S1 Ag1 133.10(4) . . ?
Ag3 S1 Ag2 75.76(3) . . ?
Ag3 S1 Ag4 81.70(3) . . ?
Ag4 S1 Ag1 101.99(4) . . ?
Ag4 S1 Ag2 139.34(4) . . ?
C1 S1 Ag1 105.97(13) . . ?
C1 S1 Ag2 100.94(13) . . ?
C1 S1 Ag3 112.77(14) . . ?
C1 S1 Ag4 118.99(13) . . ?
Ag2 S2 Ag4 147.49(4) 7_566 . ?
Ag2 S2 Ag6 85.61(3) 7_566 7_566 ?
Ag5 S2 Ag2 74.12(3) . 7_566 ?
Ag5 S2 Ag4 80.20(3) . . ?
Ag5 S2 Ag6 136.68(4) . 7_566 ?
Ag6 S2 Ag4 100.22(3) 7_566 . ?
C10 S2 Ag2 97.02(13) . 7_566 ?
C10 S2 Ag4 109.30(13) . . ?
C10 S2 Ag5 106.52(12) . . ?
C10 S2 Ag6 113.78(12) . 7_566 ?
Ag1 S3 Ag3 141.31(4) . 7_566 ?
Ag5 S3 Ag1 74.26(3) . . ?
Ag5 S3 Ag3 73.06(3) . 7_566 ?
Ag5 S3 Ag6 134.50(4) . . ?
Ag6 S3 Ag1 83.70(3) . . ?
Ag6 S3 Ag3 105.21(4) . 7_566 ?
C19 S3 Ag1 103.26(10) . . ?
C19 S3 Ag3 105.93(10) . 7_566 ?
C19 S3 Ag5 107.68(9) . . ?
C19 S3 Ag6 115.99(9) . . ?
C28 O1 Ag2 113.9(3) . . ?
C28 O2 Ag3 125.9(5) . . ?
C30 O3 Ag3 115.9(3) . . ?
C30 O4 Ag4 123.6(3) . . ?
C38 O5 Ag4 118.3(4) . . ?
C36 O7 Ag5 137.7(3) . . ?
C36 O8 Ag1 106.6(3) . . ?
C34 O9 Ag6 116.7(4) . . ?
C32 O11 Ag1 123.6(3) . . ?
C32 O12 Ag2 123.2(3) . . ?
C4 N1 C7 110.5(3) . . ?
C4 N1 C8 109.3(4) . . ?
C8 N1 C7 105.5(4) . . ?
C9 N1 C4 113.6(4) . . ?
C9 N1 C7 109.3(4) . . ?
C9 N1 C8 108.4(4) . . ?
C13 N2 C17 110.2(3) . . ?
C13 N2 C18 108.6(3) . . ?
C16 N2 C13 112.7(3) . . ?
C16 N2 C17 108.4(4) . . ?
C16 N2 C18 107.9(4) . . ?
C17 N2 C18 109.0(3) . . ?
C22 N3 C26 108.0(4) . . ?
C25 N3 C22 111.5(4) . . ?
C25 N3 C26 107.3(6) . . ?
C25 N3 C27 112.5(6) . . ?
C27 N3 C22 114.0(4) . . ?
C27 N3 C26 102.9(6) . . ?
C2 C1 S1 119.3(3) . . ?
C2 C1 C6 119.2(4) . . ?
C6 C1 S1 121.5(3) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.5(4) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 N1 118.4(4) . . ?
C5 C4 N1 120.9(4) . . ?
C5 C4 C3 120.7(4) . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.6(4) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 120.1(4) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 S2 120.7(3) . . ?
C11 C10 C15 119.0(3) . . ?
C15 C10 S2 120.2(3) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.5(4) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 N2 121.2(4) . . ?
C14 C13 N2 118.3(3) . . ?
C14 C13 C12 120.4(4) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0(4) . . ?
C15 C14 H14 120.0 . . ?
C10 C15 H15 119.8 . . ?
C14 C15 C10 120.4(4) . . ?
C14 C15 H15 119.8 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 S3 118.95(14) . . ?
C20 C19 C24 120.0 . . ?
C24 C19 S3 121.00(14) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 N3 119.2(3) . . ?
C23 C22 N3 120.7(3) . . ?
C23 C22 C21 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C19 C24 H24 120.0 . . ?
C23 C24 C19 120.0 . . ?
C23 C24 H24 120.0 . . ?
N3 C25 H25A 109.5 . . ?
N3 C25 H25B 109.5 . . ?
N3 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O1 C28 O2 127.2(5) . . ?
O1 C28 C29 117.1(5) . . ?
O1 C28 O2A 128.2(9) . . ?
O2 C28 C29 115.6(5) . . ?
O2A C28 C29 94.8(10) . . ?
F1 C29 C28 114.1(5) . . ?
F2 C29 F1 101.2(5) . . ?
F2 C29 C28 110.2(5) . . ?
F3 C29 F1 109.2(6) . . ?
F3 C29 F2 106.5(7) . . ?
F3 C29 C28 114.5(5) . . ?
O3 C30 C31 114.9(5) . . ?
O4 C30 O3 130.4(5) . . ?
O4 C30 C31 114.7(5) . . ?
F4 C31 C30 109.1(8) . . ?
F4A C31 F5A 101.6(12) . . ?
F4A C31 F6A 117.9(18) . . ?
F4A C31 C30 113.5(14) . . ?
F5 C31 F4 97.3(12) . . ?
F5 C31 C30 115.0(9) . . ?
F5A C31 C30 103.6(11) . . ?
F6 C31 F4 102.9(13) . . ?
F6 C31 F5 113.5(15) . . ?
F6 C31 C30 116.4(10) . . ?
F6A C31 F5A 100.4(17) . . ?
F6A C31 C30 116.3(10) . . ?
O11 C32 O12 131.1(4) . . ?
O11 C32 C33 114.7(4) . . ?
O12 C32 C33 114.2(4) . . ?
F16 C33 F17 104.1(8) . . ?
F16 C33 F18 110.5(8) . . ?
F16 C33 C32 118.1(6) . . ?
F16A C33 C32 115.1(7) . . ?
F16B C33 F18B 99.8(8) . . ?
F16B C33 C32 111.1(6) . . ?
F17 C33 C32 106.2(5) . . ?
F17A C33 F16A 106.4(9) . . ?
F17A C33 F18A 107.9(10) . . ?
F17A C33 C32 113.7(6) . . ?
F17B C33 F16B 112.4(10) . . ?
F17B C33 F18B 103.2(9) . . ?
F17B C33 C32 120.6(7) . . ?
F18 C33 F17 102.0(8) . . ?
F18 C33 C32 114.1(6) . . ?
F18A C33 F16A 105.2(10) . . ?
F18A C33 C32 107.9(6) . . ?
F18B C33 C32 107.1(6) . . ?
O9 C34 C35 115.2(5) . . ?
O10 C34 O9 131.4(5) . . ?
O10 C34 C35 113.4(5) . . ?
F13A C35 F14A 100.1(11) . . ?
F13A C35 F15A 94.9(11) . . ?
F13A C35 C34 125.1(10) . . ?
F13B C35 C34 110.6(11) . . ?
F14 C35 F13 98.9(9) . . ?
F14 C35 F15 116.7(10) . . ?
F14 C35 C34 115.2(7) . . ?
F14A C35 F15A 94.0(12) . . ?
F14A C35 C34 126.7(10) . . ?
F14B C35 F13B 109.4(13) . . ?
F14B C35 F15B 114.3(11) . . ?
F14B C35 C34 107.7(11) . . ?
F15 C35 F13 98.4(9) . . ?
F15 C35 C34 119.0(7) . . ?
F15A C35 C34 107.0(8) . . ?
F15B C35 F13B 109.8(15) . . ?
F15B C35 C34 104.9(10) . . ?
C34 C35 F13 103.1(7) . . ?
O7 C36 O8 129.5(4) . . ?
O7 C36 C37 114.9(4) . . ?
O8 C36 C37 115.5(4) . . ?
F10 C37 F12 105.2(4) . . ?
F10 C37 C36 112.9(3) . . ?
F11 C37 F10 107.9(4) . . ?
F11 C37 F12 107.5(4) . . ?
F11 C37 C36 113.4(3) . . ?
F12 C37 C36 109.6(4) . . ?
O5 C38 C39 112.2(5) . . ?
O6 C38 O5 130.8(6) . . ?
O6 C38 C39 117.0(6) . . ?
F7 C39 F8 98.1(9) . . ?
F7 C39 F9 111.8(9) . . ?
F7 C39 C38 124.8(9) . . ?
F7A C39 F9A 96.7(6) . . ?
F7A C39 C38 113.8(7) . . ?
F8A C39 F7A 106.6(8) . . ?
F8A C39 F9A 102.1(8) . . ?
F8A C39 C38 122.2(7) . . ?
F9 C39 F8 96.3(7) . . ?
F9 C39 C38 113.2(7) . . ?
F9A C39 C38 112.0(7) . . ?
C38 C39 F8 107.1(7) . . ?
C40 N29 C41 120.2(7) . . ?
C40 N29 C42 121.3(7) . . ?
C41 N29 C42 118.4(7) . . ?
O13 C40 N29 126.1(6) . . ?
O13 C40 H40 116.9 . . ?
N29 C40 H40 116.9 . . ?
N29 C41 H41A 109.5 . . ?
N29 C41 H41B 109.5 . . ?
N29 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N29 C42 H42A 109.5 . . ?
N29 C42 H42B 109.5 . . ?
N29 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 S1 C1 C2 28.6(3) . . . . ?
Ag1 S1 C1 C6 -149.6(3) . . . . ?
Ag1 S3 C19 C20 105.18(15) . . . . ?
Ag1 S3 C19 C24 -72.31(16) . . . . ?
Ag1 O8 C36 O7 -0.3(6) . . . . ?
Ag1 O8 C36 C37 -176.0(3) . . . . ?
Ag1 O11 C32 O12 6.3(7) . . . . ?
Ag1 O11 C32 C33 -171.2(3) . . . . ?
Ag2 S1 C1 C2 102.6(3) . . . . ?
Ag2 S1 C1 C6 -75.6(4) . . . . ?
Ag2 S2 C10 C11 -120.1(3) 7_566 . . . ?
Ag2 S2 C10 C15 61.9(3) 7_566 . . . ?
Ag2 O1 C28 O2 -27.8(10) . . . . ?
Ag2 O1 C28 C29 157.9(4) . . . . ?
Ag2 O1 C28 O2A 36.3(18) . . . . ?
Ag2 O12 C32 O11 -6.1(8) . . . . ?
Ag2 O12 C32 C33 171.5(3) . . . . ?
Ag3 S1 C1 C2 -178.4(3) . . . . ?
Ag3 S1 C1 C6 3.4(4) . . . . ?
Ag3 S3 C19 C20 -100.50(15) 7_566 . . . ?
Ag3 S3 C19 C24 82.01(16) 7_566 . . . ?
Ag3 O2 C28 O1 -15.9(13) . . . . ?
Ag3 O2 C28 C29 158.4(5) . . . . ?
Ag3 O3 C30 O4 -14.3(9) . . . . ?
Ag3 O3 C30 C31 165.1(5) . . . . ?
Ag4 S1 C1 C2 -85.4(3) . . . . ?
Ag4 S1 C1 C6 96.5(4) . . . . ?
Ag4 S2 C10 C11 40.6(4) . . . . ?
Ag4 S2 C10 C15 -137.5(3) . . . . ?
Ag4 O4 C30 O3 -32.1(9) . . . . ?
Ag4 O4 C30 C31 148.5(5) . . . . ?
Ag4 O5 C38 O6 -2.8(10) . . . . ?
Ag4 O5 C38 C39 178.0(4) . . . . ?
Ag5 S2 C10 C11 -44.6(4) . . . . ?
Ag5 S2 C10 C15 137.4(3) . . . . ?
Ag5 S3 C19 C20 -177.38(13) . . . . ?
Ag5 S3 C19 C24 5.13(18) . . . . ?
Ag5 O7 C36 O8 -27.7(8) . . . . ?
Ag5 O7 C36 C37 148.0(3) . . . . ?
Ag6 S2 C10 C11 151.6(3) 7_566 . . . ?
Ag6 S2 C10 C15 -26.4(4) 7_566 . . . ?
Ag6 S3 C19 C20 15.78(19) . . . . ?
Ag6 S3 C19 C24 -161.71(13) . . . . ?
Ag6 O9 C34 O10 3.1(10) . . . . ?
Ag6 O9 C34 C35 -174.8(5) . . . . ?
S1 C1 C2 C3 -176.5(3) . . . . ?
S1 C1 C6 C5 177.4(4) . . . . ?
S2 C10 C11 C12 -178.6(4) . . . . ?
S2 C10 C15 C14 178.2(3) . . . . ?
S3 C19 C20 C21 -177.5(2) . . . . ?
S3 C19 C24 C23 177.5(2) . . . . ?
O1 C28 C29 F1 -23.0(8) . . . . ?
O1 C28 C29 F2 90.0(7) . . . . ?
O1 C28 C29 F3 -149.9(7) . . . . ?
O2 C28 C29 F1 162.0(8) . . . . ?
O2 C28 C29 F2 -84.9(9) . . . . ?
O2 C28 C29 F3 35.1(10) . . . . ?
O3 C30 C31 F4 35.7(11) . . . . ?
O3 C30 C31 F4A 125.8(16) . . . . ?
O3 C30 C31 F5 143.7(15) . . . . ?
O3 C30 C31 F5A -124.9(13) . . . . ?
O3 C30 C31 F6 -80(2) . . . . ?
O3 C30 C31 F6A -16(3) . . . . ?
O4 C30 C31 F4 -144.8(9) . . . . ?
O4 C30 C31 F4A -54.7(17) . . . . ?
O4 C30 C31 F5 -36.8(17) . . . . ?
O4 C30 C31 F5A 54.6(14) . . . . ?
O4 C30 C31 F6 99(2) . . . . ?
O4 C30 C31 F6A 164(3) . . . . ?
O5 C38 C39 F7 -168.2(11) . . . . ?
O5 C38 C39 F7A -122.0(8) . . . . ?
O5 C38 C39 F8 -55.1(8) . . . . ?
O5 C38 C39 F8A 8.2(12) . . . . ?
O5 C38 C39 F9 49.7(10) . . . . ?
O5 C38 C39 F9A 129.5(7) . . . . ?
O6 C38 C39 F7 12.4(14) . . . . ?
O6 C38 C39 F7A 58.6(10) . . . . ?
O6 C38 C39 F8 125.5(8) . . . . ?
O6 C38 C39 F8A -171.2(9) . . . . ?
O6 C38 C39 F9 -129.7(8) . . . . ?
O6 C38 C39 F9A -49.8(9) . . . . ?
O7 C36 C37 F10 147.8(4) . . . . ?
O7 C36 C37 F11 24.8(5) . . . . ?
O7 C36 C37 F12 -95.3(4) . . . . ?
O8 C36 C37 F10 -35.9(5) . . . . ?
O8 C36 C37 F11 -159.0(4) . . . . ?
O8 C36 C37 F12 81.0(5) . . . . ?
O9 C34 C35 F13 -94.1(8) . . . . ?
O9 C34 C35 F13A -49.4(18) . . . . ?
O9 C34 C35 F13B -6.4(15) . . . . ?
O9 C34 C35 F14 159.4(11) . . . . ?
O9 C34 C35 F14A 168.1(15) . . . . ?
O9 C34 C35 F14B -125.9(11) . . . . ?
O9 C34 C35 F15 13.5(14) . . . . ?
O9 C34 C35 F15A 59.4(12) . . . . ?
O9 C34 C35 F15B 112.0(13) . . . . ?
O10 C34 C35 F13 87.6(7) . . . . ?
O10 C34 C35 F13A 132.3(16) . . . . ?
O10 C34 C35 F13B 175.3(13) . . . . ?
O10 C34 C35 F14 -18.9(14) . . . . ?
O10 C34 C35 F14A -10.2(17) . . . . ?
O10 C34 C35 F14B 55.8(12) . . . . ?
O10 C34 C35 F15 -164.8(11) . . . . ?
O10 C34 C35 F15A -118.9(11) . . . . ?
O10 C34 C35 F15B -66.3(14) . . . . ?
O11 C32 C33 F16 -6.6(10) . . . . ?
O11 C32 C33 F16A 22.2(11) . . . . ?
O11 C32 C33 F16B 52.1(9) . . . . ?
O11 C32 C33 F17 109.6(6) . . . . ?
O11 C32 C33 F17A 145.4(9) . . . . ?
O11 C32 C33 F17B -173.2(10) . . . . ?
O11 C32 C33 F18 -138.9(8) . . . . ?
O11 C32 C33 F18A -95.0(8) . . . . ?
O11 C32 C33 F18B -56.0(8) . . . . ?
O12 C32 C33 F16 175.4(8) . . . . ?
O12 C32 C33 F16A -155.8(9) . . . . ?
O12 C32 C33 F16B -125.9(8) . . . . ?
O12 C32 C33 F17 -68.4(7) . . . . ?
O12 C32 C33 F17A -32.6(11) . . . . ?
O12 C32 C33 F17B 8.8(12) . . . . ?
O12 C32 C33 F18 43.2(9) . . . . ?
O12 C32 C33 F18A 87.1(8) . . . . ?
O12 C32 C33 F18B 126.1(7) . . . . ?
N1 C4 C5 C6 -178.8(4) . . . . ?
N2 C13 C14 C15 -178.4(4) . . . . ?
N3 C22 C23 C24 -176.1(3) . . . . ?
C1 C2 C3 C4 -1.1(6) . . . . ?
C2 C1 C6 C5 -0.7(7) . . . . ?
C2 C3 C4 N1 179.7(4) . . . . ?
C2 C3 C4 C5 -0.5(7) . . . . ?
C3 C4 C5 C6 1.4(7) . . . . ?
C4 C5 C6 C1 -0.8(7) . . . . ?
C6 C1 C2 C3 1.7(6) . . . . ?
C7 N1 C4 C3 51.5(5) . . . . ?
C7 N1 C4 C5 -128.3(5) . . . . ?
C8 N1 C4 C3 -64.1(5) . . . . ?
C8 N1 C4 C5 116.1(5) . . . . ?
C9 N1 C4 C3 174.7(5) . . . . ?
C9 N1 C4 C5 -5.1(6) . . . . ?
C10 C11 C12 C13 -0.1(7) . . . . ?
C11 C10 C15 C14 0.1(6) . . . . ?
C11 C12 C13 N2 177.9(4) . . . . ?
C11 C12 C13 C14 1.2(7) . . . . ?
C12 C13 C14 C15 -1.6(7) . . . . ?
C13 C14 C15 C10 0.9(7) . . . . ?
C15 C10 C11 C12 -0.6(7) . . . . ?
C16 N2 C13 C12 11.3(6) . . . . ?
C16 N2 C13 C14 -171.9(4) . . . . ?
C17 N2 C13 C12 132.5(4) . . . . ?
C17 N2 C13 C14 -50.7(5) . . . . ?
C18 N2 C13 C12 -108.1(5) . . . . ?
C18 N2 C13 C14 68.7(5) . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C19 C24 C23 0.0 . . . . ?
C20 C21 C22 N3 176.2(3) . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C19 0.0 . . . . ?
C24 C19 C20 C21 0.0 . . . . ?
C25 N3 C22 C21 60.2(6) . . . . ?
C25 N3 C22 C23 -123.6(5) . . . . ?
C26 N3 C22 C21 -57.4(5) . . . . ?
C26 N3 C22 C23 118.7(5) . . . . ?
C27 N3 C22 C21 -171.1(6) . . . . ?
C27 N3 C22 C23 5.0(7) . . . . ?
C41 N29 C40 O13 0.1(10) . . . . ?
C42 N29 C40 O13 -178.6(6) . . . . ?
O2A C28 C29 F1 114.8(13) . . . . ?
O2A C28 C29 F2 -132.2(13) . . . . ?
O2A C28 C29 F3 -12.1(14) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.262 0.750 0.012 753.0 201.9 ?
2 -0.238 0.250 0.012 753.0 201.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

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

data_b191102d
_database_code_depnum_ccdc_archive 'CCDC 1974488'
loop_
_audit_author_name
_audit_author_address
'XuRan Chen'
;Soochow university
China
;
_audit_update_record             
;
2019-12-28 deposited with the CCDC.	2020-02-20 downloaded from the CCDC.
;
_audit_creation_date             2019-12-28
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.10.11 svn.r3662 for OlexSys, GUI svn.r5962)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H84 Ag12 F30 N8 O20 S6, C4 F6 O4'
_chemical_formula_sum            'C82 H84 Ag12 F36 N8 O24 S6'
_chemical_formula_weight         3736.37
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   13.8315(8)
_cell_length_b                   29.7018(15)
_cell_length_c                   16.2995(9)
_cell_angle_alpha                90
_cell_angle_beta                 94.930(2)
_cell_angle_gamma                90
_cell_volume                     6671.4(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.33
_cell_measurement_theta_min      2.41
_shelx_estimated_absorpt_T_max   0.761
_shelx_estimated_absorpt_T_min   0.700
_exptl_absorpt_coefficient_mu    1.922
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1368 before and 0.0716 after correction. The Ratio of minimum to maximum transmission is 0.7929. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3616
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            166651
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.569
_diffrn_reflns_theta_min         2.306
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9981
_reflns_number_total             15365
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.541
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     878
_refine_ls_number_reflns         15365
_refine_ls_number_restraints     270
_refine_ls_R_factor_all          0.1273
_refine_ls_R_factor_gt           0.0809
_refine_ls_restrained_S_all      1.045
_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)+(0.1018P)²+74.8381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2077
_refine_ls_wR_factor_ref         0.2451
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O11-C40 = O12-C40
 1.23 with sigma of 0.02
 F10-C35 = F11-C35 = F12-C35 = F10A-C35A = F11A-C35A = F12A-C35A
 1.35 with sigma of 0.02
 C33-C32
 1.5 with sigma of 0.02
 F16-C41 = F17-C41 = F18-C41
 1.35 with sigma of 0.02
 C34-C35A
 1.5 with sigma of 0.02
 C41-C40
 1.5 with sigma of 0.02
 O11A-C40A = O12A-C40A
 1.23 with sigma of 0.02
 C41A-C40A
 1.5 with sigma of 0.02
 F16A-C41A = F17A-C41A = F18A-C41A
 1.35 with sigma of 0.02
 F14A-C37A = F13A-C37A = F15A-C37A
 1.3 with sigma of 0.02
 C37-C36
 1.5 with sigma of 0.02
 F13B-C37B = F14B-C37B = F15B-C37B
 1.3 with sigma of 0.02
 C37A-C36A
 1.5 with sigma of 0.02
 C37B-C36B
 1.5 with sigma of 0.02
 O11A-O12A
 2.23 with sigma of 0.04
 O12-O11
 2.23 with sigma of 0.04
 N2-C17 \\sim N2-C16 \\sim N2-C18
 with sigma of 0.02
 N2-C17A \\sim N2-C16A \\sim N2-C18A
 with sigma of 0.02
 N3A-C25A \\sim N3A-C26A \\sim N3A-C27A
 with sigma of 0.02
 N3-C25 \\sim N3-C27 \\sim N3-C26
 with sigma of 0.02
 F16A-F17A \\sim F17A-F18A \\sim F18A-F16A
 with sigma of 0.02
 F10-F11 \\sim F11-F12 \\sim F12-F10
 with sigma of 0.02
 F7A-F8A \\sim F8A-F9A \\sim F9A-F7A
 with sigma of 0.02
 F7-F8 \\sim F8-F9 \\sim F9-F7
 with sigma of 0.02
 F7-C33 \\sim F8-C33 \\sim F9-C33
 with sigma of 0.02
 F16-F17 \\sim F17-F18 \\sim F18-F16
 with sigma of 0.02
 F7B-C33 \\sim F8B-C33 \\sim F9B-C33
 with sigma of 0.02
 F7B-F8B \\sim F8B-F9B \\sim F9B-F7B
 with sigma of 0.02
 F7A-C33 \\sim F8A-C33 \\sim F9A-C33
 with sigma of 0.02
 F1B-C29 \\sim F2B-C29 \\sim F3B-C29
 with sigma of 0.02
 F1A-C29 \\sim F2A-C29 \\sim F3A-C29
 with sigma of 0.02
 F1-C29 \\sim F2-C29 \\sim F3-C29
 with sigma of 0.02
 F10A-F11A \\sim F11A-F12A \\sim F12A-F10A
 with sigma of 0.02
 C16-C17 \\sim C17-C18 \\sim C18-C16
 with sigma of 0.02
 C35A-C34 \\sim C35-C34
 with sigma of 0.02
 C37-F13 \\sim C37-F14 \\sim C37-F15
 with sigma of 0.02
 F13B-F14B \\sim F14B-F15B \\sim F15B-F13B
 with sigma of 0.02
 F13-F14 \\sim F14-F15 \\sim F15-F13
 with sigma of 0.02
 O10-C36A \\sim O9-C36A
 with sigma of 0.02
 O10B-C36B \\sim O9B-C36B
 with sigma of 0.02
 O9B-C36 \\sim O10A-C36
 with sigma of 0.02
3. Restrained planarity
 O12, C40, O11, C41
 with sigma of 0.1
 O12A, O11A, C40A, C41A
 with sigma of 0.1
 O10A, O9A, C36A, C37A
 with sigma of 0.1
 O10A, C36, O9B, C37
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
F7A \\sim F8A \\sim F9A: within 3A with sigma of 0.001 and sigma for terminal
atoms of 0.002 within 3A
C16 \\sim C16A \\sim C17 \\sim C17A \\sim C18 \\sim C18A: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 2A
C40A \\sim C41A \\sim F16A \\sim F18A \\sim F17A \\sim O12A \\sim O11A: within
2A with sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
O6 \\sim C32 \\sim O5 \\sim C33: within 2A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 2A
N3 \\sim C26 \\sim C27 \\sim C25: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
C41 \\sim F16 \\sim F18 \\sim F17 \\sim C40 \\sim O11 \\sim O12: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
O7 \\sim C34 \\sim C35A \\sim F10A \\sim F11A \\sim F12A: within 2A with sigma
of 0.001 and sigma for terminal atoms of 0.002 within 2A
O9A \\sim O10A \\sim C36A \\sim C37A \\sim F13A \\sim F14A \\sim F15A: within
2A with sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
O10 \\sim C36 \\sim O9B \\sim C37 \\sim F15 \\sim F14 \\sim F13: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
O9B \\sim O10B \\sim C36B \\sim C37B \\sim F13B \\sim F14B \\sim F15B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C22A) \\sim Ueq, Uanis(C22) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C27A) \\sim Ueq, Uanis(C25A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C16) \\sim Ueq, Uanis(C17A) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18A)
\\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C16A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
5. Others
 1*[Sof(F7)+Sof(F8)+Sof(F9)]+1*[Sof(F9A)+Sof(F8A)+Sof(F7A)]+1*[Sof(F7B)+
 Sof(F9B)+Sof(F8B)]=1 with esd of 0.0001
 1*[Sof(F2)+Sof(F1)+Sof(F3)]+1*[Sof(F2A)+Sof(F1A)+Sof(F3A)]+1*[Sof(F3B)+
 Sof(F2B)+Sof(F1B)]=1 with esd of 0.0001
 1*[Sof(C36)+Sof(C37)+Sof(F15)+Sof(F14)+Sof(F13)+Sof(O10)+Sof(O9)]+1*
 [Sof(O10A)+Sof(C36A)+Sof(O9A)+Sof(C37A)+Sof(F14A)+Sof(F13A)+Sof(F15A)]+1*
 [Sof(O9B)+Sof(O10B)+Sof(C36B)+Sof(C37B)+Sof(F14B)+Sof(F13B)+Sof(F15B)]=1 with
 esd of 0.0001
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(1)
 Sof(F9A)=Sof(F8A)=Sof(F7A)=FVAR(2)
 Sof(F7B)=Sof(F9B)=Sof(F8B)=FVAR(3)
 Sof(F2)=Sof(F1)=Sof(F3)=FVAR(4)
 Sof(F2A)=Sof(F1A)=Sof(F3A)=FVAR(5)
 Sof(F3B)=Sof(F2B)=Sof(F1B)=FVAR(6)
 Sof(F12A)=Sof(C35A)=Sof(F11A)=Sof(F10A)=1-FVAR(7)
 Sof(F10)=Sof(F12)=Sof(F11)=Sof(C35)=FVAR(7)
 Sof(C36)=Sof(C37)=Sof(F15)=Sof(F14)=Sof(F13)=Sof(O10)=Sof(O9)=FVAR(8)
 Sof(O10A)=Sof(C36A)=Sof(O9A)=Sof(C37A)=Sof(F14A)=Sof(F13A)=Sof(F15A)=FVAR(9)
 Sof(O9B)=Sof(O10B)=Sof(C36B)=Sof(C37B)=Sof(F14B)=Sof(F13B)=Sof(F15B)=FVAR(10)
 Fixed Sof: F4(0.5) F4A(0.5) F5(0.5) F5A(0.5) F6(0.5) F6A(0.5) N3(0.5)
 N3A(0.5) H23(0.5) H23A(0.5) C22(0.5) C22A(0.5) C21(0.5) H21(0.5) C21A(0.5)
 H21A(0.5) C20(0.5) H20(0.5) C20A(0.5) H20A(0.5) C26(0.5) H26A(0.5) H26B(0.5)
 H26C(0.5) C25A(0.5) H25A(0.5) H25B(0.5) H25C(0.5) C27(0.5) H27A(0.5) H27B(0.5)
 H27C(0.5) C26A(0.5) H26D(0.5) H26E(0.5) H26F(0.5) C25(0.5) H25D(0.5) H25E(0.5)
 H25F(0.5) C27A(0.5) H27D(0.5) H27E(0.5) H27F(0.5) C16(0.5) H16A(0.5) H16B(0.5)
 H16C(0.5) C16A(0.5) H16D(0.5) H16E(0.5) H16F(0.5) C17(0.5) H17A(0.5) H17B(0.5)
 H17C(0.5) C17A(0.5) H17D(0.5) H17E(0.5) H17F(0.5) C18(0.5) H18A(0.5) H18B(0.5)
 H18C(0.5) C18A(0.5) H18D(0.5) H18E(0.5) H18F(0.5) F16(0.5) C41(0.5) F18(0.5)
 F17(0.5) O11(0.5) O12(0.5) C40(0.5) C41A(0.5) F16A(0.5) F18A(0.5) F17A(0.5)
 C40A(0.5) O11A(0.5) O12A(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C24(H24), C23(H23), C23(H23A), C21(H21), C21A(H21A), C20(H20), C20A(H20A),
 C11(H11), C12(H12), C14(H14), C15(H15), C6(H6), C5(H5), C3(H3), C2(H2)
6.b Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C25A(H25A,H25B,H25C), C27(H27A,H27B,H27C), C26A(H26D,
 H26E,H26F), C25(H25D,H25E,H25F), C27A(H27D,H27E,H27F), C16(H16A,H16B,H16C),
 C16A(H16D,H16E,H16F), C17(H17A,H17B,H17C), C17A(H17D,H17E,H17F), C18(H18A,H18B,
 H18C), C18A(H18D,H18E,H18F), C9(H9A,H9B,H9C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C),
  C39(H39A,H39B,H39C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag5 Ag 0.61196(6) 0.53507(3) 0.39450(5) 0.0557(2) Uani 1 1 d . . . . .
Ag1 Ag 0.53199(6) 0.45230(2) 0.32018(6) 0.0556(2) Uani 1 1 d . . . . .
Ag2 Ag 0.43543(6) 0.41286(3) 0.46150(6) 0.0645(3) Uani 1 1 d . . . . .
Ag3 Ag 0.59578(6) 0.40350(3) 0.59593(5) 0.0559(2) Uani 1 1 d . . . . .
Ag4 Ag 0.76074(6) 0.45466(3) 0.50419(7) 0.0668(3) Uani 1 1 d . . . . .
Ag6 Ag 0.68787(7) 0.52859(4) 0.67578(6) 0.0726(3) Uani 1 1 d . . . . .
S3 S 0.45033(17) 0.52920(8) 0.31610(15) 0.0445(5) Uani 1 1 d . . . . .
S2 S 0.71283(15) 0.53712(7) 0.52761(14) 0.0385(5) Uani 1 1 d . . . . .
S1 S 0.61601(16) 0.41065(7) 0.44543(15) 0.0425(5) Uani 1 1 d . . . . .
F2A F 0.4708(15) 0.2987(8) 0.2158(17) 0.073(6) Uiso 0.340(3) 1 d D . P A 2
F2 F 0.4509(19) 0.3109(9) 0.1832(16) 0.092(8) Uiso 0.359(3) 1 d D . P A 1
F1A F 0.331(2) 0.3315(11) 0.1743(16) 0.084(8) Uiso 0.340(3) 1 d D . P A 2
F1 F 0.3100(17) 0.3144(10) 0.1973(18) 0.089(7) Uiso 0.359(3) 1 d D . P A 1
F3B F 0.2989(16) 0.3035(9) 0.2554(18) 0.074(6) Uiso 0.301(3) 1 d D . P A 3
F3 F 0.408(2) 0.2821(7) 0.2936(15) 0.088(7) Uiso 0.359(3) 1 d D . P A 1
F4 F 0.8529(18) 0.5244(9) 0.1816(14) 0.121(7) Uiso 0.5 1 d . . P B 1
F4A F 0.7835(17) 0.5496(8) 0.1545(14) 0.122(7) Uiso 0.5 1 d . . P B 2
F5 F 0.7107(12) 0.5085(6) 0.0965(10) 0.085(4) Uiso 0.5 1 d . . P B 1
F5A F 0.7496(19) 0.4808(9) 0.0954(16) 0.132(7) Uiso 0.5 1 d . . P B 2
F6 F 0.816(2) 0.4652(9) 0.1481(16) 0.127(7) Uiso 0.5 1 d . . P B 1
F6A F 0.860(2) 0.4871(11) 0.1797(18) 0.148(9) Uiso 0.5 1 d . . P B 2
F7 F 0.9586(15) 0.4118(9) 0.7583(17) 0.120(8) Uiso 0.408(3) 1 d D . P C 1
F8 F 0.8561(19) 0.4558(6) 0.7987(14) 0.105(7) Uiso 0.408(3) 1 d D . P C 1
F9 F 0.8539(15) 0.3874(6) 0.8334(11) 0.076(5) Uiso 0.408(3) 1 d D . P C 1
O1 O 0.4588(7) 0.3901(3) 0.2530(5) 0.075(2) Uani 1 1 d . . . . .
O2 O 0.3835(7) 0.3622(3) 0.3599(7) 0.089(3) Uani 1 1 d . . . . .
O3 O 0.6505(6) 0.4635(3) 0.2280(5) 0.064(2) Uani 1 1 d . . . . .
O4 O 0.7254(6) 0.5206(3) 0.2967(5) 0.077(2) Uani 1 1 d . . . . .
O5 O 0.8207(8) 0.4409(3) 0.6395(6) 0.0900(17) Uani 1 1 d . U . . .
O6 O 0.7332(8) 0.3845(3) 0.6875(6) 0.0884(17) Uani 1 1 d . U . . .
N3 N 0.5159(16) 0.5831(7) -0.0247(13) 0.066(5) Uani 0.5 1 d D U P D 1
N3A N 0.4887(18) 0.6067(8) -0.0314(13) 0.070(6) Uani 0.5 1 d D . P E 2
N2 N 1.0233(6) 0.6765(3) 0.4810(7) 0.074(3) Uani 1 1 d D . . . .
N1 N 0.6926(8) 0.2297(3) 0.2938(6) 0.067(3) Uani 1 1 d . . . . .
N5 N 0.8931(7) 0.4526(4) 0.4343(8) 0.082(3) Uani 1 1 d . . . . .
C19 C 0.4616(7) 0.5508(3) 0.2145(5) 0.043(2) Uani 1 1 d . . . . .
C24 C 0.5405(10) 0.5749(4) 0.1960(8) 0.078(4) Uani 1 1 d . . . . .
H24 H 0.587836 0.581438 0.238348 0.094 Uiso 1 1 calc R U . . .
C23 C 0.5537(9) 0.5898(4) 0.1192(8) 0.068(3) Uani 1 1 d . . . . .
H23 H 0.600209 0.611262 0.109176 0.081 Uiso 0.5 1 calc R U P F 1
H23A H 0.613432 0.601390 0.107497 0.081 Uiso 0.5 1 calc R U P G 2
C22 C 0.498(2) 0.5725(10) 0.0625(16) 0.056(7) Uani 0.5 1 d . U P D 1
C22A C 0.475(2) 0.5876(9) 0.0561(17) 0.057(7) Uani 0.5 1 d . U P E 2
C21 C 0.420(2) 0.5449(12) 0.0791(15) 0.078(8) Uani 0.5 1 d . . P D 1
H21 H 0.376487 0.535878 0.035254 0.093 Uiso 0.5 1 calc R U P D 1
C21A C 0.392(2) 0.5743(11) 0.0747(15) 0.067(7) Uani 0.5 1 d . . P E 2
H21A H 0.338171 0.577290 0.036495 0.080 Uiso 0.5 1 calc R U P E 2
C20 C 0.4035(18) 0.5309(12) 0.1552(18) 0.062(8) Uani 0.5 1 d . . P D 1
H20 H 0.356821 0.509617 0.165656 0.074 Uiso 0.5 1 calc R U P D 1
C20A C 0.380(3) 0.5551(12) 0.1523(19) 0.070(9) Uani 0.5 1 d . . P E 2
H20A H 0.319307 0.545072 0.164067 0.084 Uiso 0.5 1 calc R U P E 2
C26 C 0.434(3) 0.6094(11) -0.067(2) 0.069(6) Uani 0.5 1 d D U P D 1
H26A H 0.376537 0.591338 -0.071575 0.103 Uiso 0.5 1 calc R U P D 1
H26B H 0.450429 0.617812 -0.121145 0.103 Uiso 0.5 1 calc R U P D 1
H26C H 0.423295 0.636066 -0.035844 0.103 Uiso 0.5 1 calc R U P D 1
C25A C 0.573(3) 0.5810(15) -0.064(3) 0.127(13) Uani 0.5 1 d D U P E 2
H25A H 0.548521 0.556879 -0.099292 0.190 Uiso 0.5 1 calc R U P E 2
H25B H 0.614285 0.568921 -0.019147 0.190 Uiso 0.5 1 calc R U P E 2
H25C H 0.610428 0.601158 -0.095513 0.190 Uiso 0.5 1 calc R U P E 2
C27 C 0.6077(19) 0.6087(10) -0.0330(15) 0.074(6) Uani 0.5 1 d D U P D 1
H27A H 0.600812 0.638851 -0.012843 0.111 Uiso 0.5 1 calc R U P D 1
H27B H 0.620724 0.609742 -0.089834 0.111 Uiso 0.5 1 calc R U P D 1
H27C H 0.660478 0.594079 -0.001459 0.111 Uiso 0.5 1 calc R U P D 1
C26A C 0.510(2) 0.6567(9) -0.0226(15) 0.085(8) Uani 0.5 1 d D . P E 2
H26D H 0.453489 0.671948 -0.006232 0.127 Uiso 0.5 1 calc R U P E 2
H26E H 0.526486 0.668483 -0.074405 0.127 Uiso 0.5 1 calc R U P E 2
H26F H 0.563130 0.661211 0.018350 0.127 Uiso 0.5 1 calc R U P E 2
C25 C 0.523(2) 0.5406(8) -0.0737(15) 0.079(6) Uani 0.5 1 d D U P D 1
H25D H 0.566721 0.520078 -0.043987 0.119 Uiso 0.5 1 calc R U P D 1
H25E H 0.546713 0.547520 -0.125844 0.119 Uiso 0.5 1 calc R U P D 1
H25F H 0.459940 0.527022 -0.082439 0.119 Uiso 0.5 1 calc R U P D 1
C27A C 0.393(3) 0.604(2) -0.086(3) 0.127(18) Uani 0.5 1 d D U P E 2
H27D H 0.366902 0.574541 -0.084186 0.191 Uiso 0.5 1 calc R U P E 2
H27E H 0.404591 0.611848 -0.141550 0.191 Uiso 0.5 1 calc R U P E 2
H27F H 0.347761 0.625466 -0.066157 0.191 Uiso 0.5 1 calc R U P E 2
C10 C 0.8041(6) 0.5772(3) 0.5151(6) 0.045(2) Uani 1 1 d . . . . .
C11 C 0.8510(7) 0.5790(3) 0.4417(7) 0.053(2) Uani 1 1 d . . . . .
H11 H 0.834640 0.558270 0.399963 0.063 Uiso 1 1 calc R U . . .
C12 C 0.9219(8) 0.6116(4) 0.4311(9) 0.070(3) Uani 1 1 d . . . . .
H12 H 0.951057 0.613047 0.381796 0.084 Uiso 1 1 calc R U . . .
C13 C 0.9483(7) 0.6412(4) 0.4925(9) 0.064(3) Uani 1 1 d . . . . .
C14 C 0.9052(9) 0.6392(4) 0.5653(10) 0.084(4) Uani 1 1 d . . . . .
H14 H 0.923508 0.659432 0.607405 0.101 Uiso 1 1 calc R U . . .
C15 C 0.8348(9) 0.6074(5) 0.5763(9) 0.078(4) Uani 1 1 d . . . . .
H15 H 0.807248 0.606186 0.626287 0.093 Uiso 1 1 calc R U . . .
C16 C 1.094(2) 0.6613(11) 0.4197(18) 0.106(9) Uani 0.5 1 d D U P H 1
H16A H 1.112881 0.630670 0.431055 0.160 Uiso 0.5 1 calc R U P H 1
H16B H 1.150393 0.680244 0.424629 0.160 Uiso 0.5 1 calc R U P H 1
H16C H 1.063127 0.663383 0.364757 0.160 Uiso 0.5 1 calc R U P H 1
C16A C 1.053(3) 0.6778(13) 0.3934(17) 0.105(8) Uani 0.5 1 d D U P H 2
H16D H 1.054328 0.647745 0.371934 0.157 Uiso 0.5 1 calc R U P H 2
H16E H 1.116271 0.691052 0.393193 0.157 Uiso 0.5 1 calc R U P H 2
H16F H 1.007036 0.695502 0.359622 0.157 Uiso 0.5 1 calc R U P H 2
C17 C 1.083(2) 0.6875(11) 0.5605(18) 0.106(8) Uani 0.5 1 d D U P H 1
H17A H 1.043832 0.704494 0.595592 0.158 Uiso 0.5 1 calc R U P H 1
H17B H 1.138267 0.705008 0.548858 0.158 Uiso 0.5 1 calc R U P H 1
H17C H 1.103746 0.660133 0.587714 0.158 Uiso 0.5 1 calc R U P H 1
C17A C 1.1089(19) 0.6680(11) 0.544(2) 0.088(8) Uani 0.5 1 d D U P H 2
H17D H 1.086836 0.668066 0.598580 0.132 Uiso 0.5 1 calc R U P H 2
H17E H 1.156458 0.691272 0.540432 0.132 Uiso 0.5 1 calc R U P H 2
H17F H 1.137342 0.639320 0.533828 0.132 Uiso 0.5 1 calc R U P H 2
C18 C 0.974(2) 0.7186(9) 0.4466(18) 0.101(7) Uani 0.5 1 d D U P H 1
H18A H 0.906218 0.717127 0.453503 0.151 Uiso 0.5 1 calc R U P H 1
H18B H 0.983734 0.721048 0.389124 0.151 Uiso 0.5 1 calc R U P H 1
H18C H 1.002059 0.744370 0.475338 0.151 Uiso 0.5 1 calc R U P H 1
C18A C 0.983(2) 0.7212(9) 0.509(2) 0.095(7) Uani 0.5 1 d D U P H 2
H18D H 0.927936 0.729720 0.472079 0.143 Uiso 0.5 1 calc R U P H 2
H18E H 1.031882 0.743956 0.508890 0.143 Uiso 0.5 1 calc R U P H 2
H18F H 0.962652 0.717940 0.563651 0.143 Uiso 0.5 1 calc R U P H 2
C1 C 0.6407(6) 0.3569(3) 0.4033(6) 0.045(2) Uani 1 1 d . . . . .
C6 C 0.6833(8) 0.3545(3) 0.3306(6) 0.052(2) Uani 1 1 d . . . . .
H6 H 0.700145 0.380837 0.304626 0.062 Uiso 1 1 calc R U . . .
C5 C 0.7015(9) 0.3132(4) 0.2952(7) 0.064(3) Uani 1 1 d . . . . .
H5 H 0.732229 0.311886 0.246713 0.077 Uiso 1 1 calc R U . . .
C4 C 0.6736(7) 0.2740(3) 0.3329(7) 0.055(3) Uani 1 1 d . . . . .
C3 C 0.6325(8) 0.2763(3) 0.4062(7) 0.057(3) Uani 1 1 d . . . . .
H3 H 0.614579 0.250008 0.431956 0.068 Uiso 1 1 calc R U . . .
C2 C 0.6174(8) 0.3176(3) 0.4421(7) 0.057(3) Uani 1 1 d . . . . .
H2 H 0.591379 0.318871 0.492854 0.068 Uiso 1 1 calc R U . . .
C9 C 0.6482(14) 0.2314(5) 0.2039(9) 0.104(6) Uani 1 1 d . . . . .
H9A H 0.579886 0.237352 0.202949 0.156 Uiso 1 1 calc R U . . .
H9B H 0.658085 0.202955 0.177817 0.156 Uiso 1 1 calc R U . . .
H9C H 0.678860 0.254793 0.174975 0.156 Uiso 1 1 calc R U . . .
C7 C 0.6528(11) 0.1906(4) 0.3352(10) 0.091(5) Uani 1 1 d . . . . .
H7A H 0.682198 0.188696 0.390624 0.137 Uiso 1 1 calc R U . . .
H7B H 0.666315 0.163644 0.305883 0.137 Uiso 1 1 calc R U . . .
H7C H 0.583872 0.194101 0.336092 0.137 Uiso 1 1 calc R U . . .
C8 C 0.7978(10) 0.2228(4) 0.2931(9) 0.079(4) Uani 1 1 d . . . . .
H8A H 0.825629 0.247606 0.265502 0.119 Uiso 1 1 calc R U . . .
H8B H 0.809738 0.195343 0.264612 0.119 Uiso 1 1 calc R U . . .
H8C H 0.826799 0.221006 0.348654 0.119 Uiso 1 1 calc R U . . .
C28 C 0.4123(9) 0.3616(4) 0.2905(10) 0.073(4) Uani 1 1 d . . . . .
C29 C 0.3900(9) 0.3169(5) 0.2427(8) 0.094(5) Uani 1 1 d D . . . .
C30 C 0.7104(9) 0.4951(4) 0.2377(7) 0.066(3) Uani 1 1 d . . . . .
C31 C 0.7694(15) 0.5044(7) 0.1635(12) 0.107(5) Uiso 1 1 d . . . . .
C32 C 0.8010(12) 0.4121(5) 0.6913(8) 0.0893(17) Uani 1 1 d D U . . .
C38 C 0.9468(9) 0.4641(5) 0.3933(10) 0.081(4) Uani 1 1 d . . . . .
C39 C 1.0136(13) 0.4821(8) 0.3356(14) 0.144(9) Uani 1 1 d . . . . .
H39A H 1.028002 0.459015 0.297233 0.215 Uiso 1 1 calc R U . . .
H39B H 1.072600 0.491750 0.365834 0.215 Uiso 1 1 calc R U . . .
H39C H 0.983779 0.507178 0.306244 0.215 Uiso 1 1 calc R U . . .
C33 C 0.8655(9) 0.4124(4) 0.7704(8) 0.0898(18) Uani 1 1 d D U . . .
O9B O 0.492(4) 0.3484(15) 0.635(3) 0.088(3) Uiso 0.297(3) 1 d D U P I 3
C36 C 0.415(2) 0.3470(8) 0.6408(18) 0.088(3) Uiso 0.497(3) 1 d D U P I 1
F10 F 0.849(2) 0.5673(9) 0.9624(18) 0.195(12) Uiso 0.610(17) 1 d D . P J 1
F12 F 0.9575(16) 0.5319(8) 0.9086(15) 0.163(9) Uiso 0.610(17) 1 d D . P J 1
F11 F 0.8419(19) 0.4971(9) 0.9489(17) 0.198(12) Uiso 0.610(17) 1 d D . P J 1
C35 C 0.8618(19) 0.5346(9) 0.9080(19) 0.145(14) Uiso 0.610(17) 1 d D . P J 1
C37 C 0.3511(15) 0.3279(6) 0.7029(13) 0.089(2) Uiso 0.497(3) 1 d D U P I 1
F15 F 0.2858(11) 0.3554(5) 0.7256(10) 0.090(3) Uiso 0.497(3) 1 d D U P I 1
F14 F 0.3965(11) 0.3127(5) 0.7698(10) 0.090(3) Uiso 0.497(3) 1 d D U P I 1
F13 F 0.3036(13) 0.2938(5) 0.6697(10) 0.093(3) Uiso 0.497(3) 1 d D U P I 1
O10A O 0.367(4) 0.3631(17) 0.550(3) 0.072(4) Uiso 0.206(3) 1 d . U P I 2
F16 F 0.8193(18) 0.2800(9) -0.0046(14) 0.144(4) Uiso 0.5 1 d D U P K 1
C41 C 0.808(2) 0.3038(10) 0.0628(17) 0.148(4) Uiso 0.5 1 d D U P K 1
F18 F 0.7108(16) 0.3047(9) 0.0605(14) 0.148(4) Uiso 0.5 1 d D U P K 1
F17 F 0.8261(18) 0.2717(9) 0.1210(14) 0.148(4) Uiso 0.5 1 d D U P K 1
O11 O 0.888(2) 0.3807(11) 0.0789(19) 0.152(4) Uiso 0.5 1 d D U P K 1
O12 O 0.922(2) 0.3364(11) -0.0233(19) 0.152(4) Uiso 0.5 1 d D U P K 1
C40 C 0.8744(19) 0.3429(10) 0.0388(19) 0.150(4) Uiso 0.5 1 d D U P K 1
C41A C 0.853(2) 0.3575(17) 0.078(2) 0.243(8) Uiso 0.5 1 d D U P L 2
F16A F 0.955(2) 0.3629(16) 0.073(2) 0.244(8) Uiso 0.5 1 d D U P L 2
F18A F 0.822(3) 0.3754(15) 0.149(2) 0.244(8) Uiso 0.5 1 d D U P L 2
F17A F 0.799(3) 0.3706(15) 0.005(2) 0.242(8) Uiso 0.5 1 d D U P L 2
C40A C 0.828(3) 0.3071(16) 0.078(3) 0.242(8) Uiso 0.5 1 d D U P L 2
O11A O 0.780(4) 0.2815(19) 0.031(3) 0.240(8) Uiso 0.5 1 d D U P L 2
O12A O 0.872(4) 0.2957(19) 0.144(3) 0.241(8) Uiso 0.5 1 d D U P L 2
F7B F 0.919(2) 0.4503(8) 0.7959(16) 0.125(8) Uiso 0.438(3) 1 d D . P C 3
F9A F 0.898(3) 0.3695(12) 0.794(3) 0.081(8) Uiso 0.154(3) 1 d D U P C 2
F8A F 0.831(4) 0.4249(16) 0.845(2) 0.081(8) Uiso 0.154(3) 1 d D U P C 2
F9B F 0.9343(17) 0.3770(8) 0.7633(15) 0.119(8) Uiso 0.438(3) 1 d D . P C 3
F7A F 0.955(3) 0.4339(16) 0.780(3) 0.080(8) Uiso 0.154(3) 1 d D U P C 2
F8B F 0.8115(15) 0.3993(7) 0.8361(11) 0.081(5) Uiso 0.438(3) 1 d D . P C 3
F3A F 0.336(2) 0.2870(9) 0.2850(16) 0.088(7) Uiso 0.340(3) 1 d D . P A 2
F2B F 0.448(2) 0.2828(9) 0.268(2) 0.088(8) Uiso 0.301(3) 1 d D . P A 3
F1B F 0.360(3) 0.3206(17) 0.1631(17) 0.121(16) Uiso 0.301(3) 1 d D . P A 3
O7 O 0.7377(17) 0.5446(7) 0.8068(13) 0.192(6) Uiso 1 1 d . U . . .
C34 C 0.817(3) 0.5562(13) 0.825(2) 0.192(6) Uiso 1 1 d D U . . .
F12A F 0.954(2) 0.5737(15) 0.920(3) 0.193(6) Uiso 0.390(17) 1 d D U P J 2
C35A C 0.857(3) 0.5743(12) 0.910(2) 0.192(6) Uiso 0.390(17) 1 d D U P J 2
F11A F 0.820(3) 0.5441(14) 0.961(3) 0.192(6) Uiso 0.390(17) 1 d D U P J 2
F10A F 0.823(3) 0.6156(12) 0.923(3) 0.194(6) Uiso 0.390(17) 1 d D U P J 2
O10 O 0.373(2) 0.3700(11) 0.5802(16) 0.088(3) Uiso 0.497(3) 1 d . U P I 1
O9 O 0.5069(13) 0.3483(6) 0.6644(10) 0.057(5) Uiso 0.497(3) 1 d . . P I 1
C36A C 0.407(5) 0.3402(15) 0.592(3) 0.072(4) Uiso 0.206(3) 1 d D U P I 2
O9A O 0.505(4) 0.3415(17) 0.608(3) 0.071(4) Uiso 0.206(3) 1 d . U P I 2
O10B O 0.365(2) 0.3772(10) 0.6039(16) 0.051(6) Uiso 0.297(3) 1 d D U P I 3
C36B C 0.408(3) 0.3417(14) 0.606(3) 0.082(7) Uiso 0.297(3) 1 d D U P I 3
C37B C 0.366(3) 0.2955(13) 0.5786(19) 0.104(8) Uiso 0.297(3) 1 d D U P I 3
F14B F 0.407(3) 0.2669(13) 0.529(2) 0.141(12) Uiso 0.297(3) 1 d D U P I 3
F13B F 0.275(2) 0.3006(15) 0.548(2) 0.152(12) Uiso 0.297(3) 1 d D U P I 3
F15B F 0.364(2) 0.2760(11) 0.6524(18) 0.103(8) Uiso 0.297(3) 1 d D U P I 3
C37A C 0.357(3) 0.3027(14) 0.635(2) 0.072(4) Uiso 0.206(3) 1 d D U P I 2
F14A F 0.261(2) 0.3042(12) 0.626(2) 0.072(4) Uiso 0.206(3) 1 d D U P I 2
F13A F 0.393(3) 0.2645(11) 0.609(2) 0.074(4) Uiso 0.206(3) 1 d D U P I 2
F15A F 0.370(3) 0.2948(12) 0.715(2) 0.073(4) Uiso 0.206(3) 1 d D U P I 2
O8 O 0.849(2) 0.5853(11) 0.776(2) 0.272(13) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag5 Ag1 2.9163(11) . ?
Ag5 Ag2 2.9317(12) 3_666 ?
Ag5 S3 2.484(2) . ?
Ag5 S2 2.477(2) . ?
Ag5 O4 2.371(9) . ?
Ag1 Ag2 2.9986(13) . ?
Ag1 Ag6 3.0997(13) 3_666 ?
Ag1 S3 2.546(2) . ?
Ag1 S1 2.577(3) . ?
Ag1 O1 2.333(8) . ?
Ag1 O3 2.341(8) . ?
Ag2 Ag3 2.9937(14) . ?
Ag2 Ag6 3.2068(15) 3_666 ?
Ag2 S2 2.551(2) 3_666 ?
Ag2 S1 2.535(2) . ?
Ag2 O2 2.306(9) . ?
Ag2 O10A 2.32(5) . ?
Ag2 O10 2.53(3) . ?
Ag3 Ag4 3.2153(12) . ?
Ag3 S3 2.572(2) 3_666 ?
Ag3 S1 2.502(3) . ?
Ag3 O6 2.381(10) . ?
Ag3 O9B 2.30(5) . ?
Ag3 O9 2.384(18) . ?
Ag3 O9A 2.25(5) . ?
Ag4 S2 2.574(2) . ?
Ag4 S1 2.511(2) . ?
Ag4 O5 2.326(9) . ?
Ag4 N5 2.239(10) . ?
Ag6 S3 2.581(3) 3_666 ?
Ag6 S2 2.482(2) . ?
Ag6 O7 2.24(2) . ?
S3 C19 1.794(10) . ?
S2 C10 1.761(9) . ?
S1 C1 1.783(9) . ?
F2A C29 1.349(18) . ?
F2 C29 1.351(19) . ?
F1A C29 1.39(2) . ?
F1 C29 1.278(19) . ?
F3B C29 1.35(2) . ?
F3 C29 1.336(19) . ?
F4 C31 1.31(3) . ?
F4A C31 1.36(3) . ?
F5 C31 1.31(2) . ?
F5A C31 1.32(3) . ?
F6 C31 1.37(3) . ?
F6A C31 1.36(3) . ?
F7 C33 1.320(19) . ?
F8 C33 1.378(18) . ?
F9 C33 1.289(17) . ?
O1 C28 1.254(16) . ?
O2 C28 1.232(17) . ?
O3 C30 1.253(13) . ?
O4 C30 1.227(13) . ?
O5 C32 1.248(15) . ?
O6 C32 1.243(16) . ?
N3 C22 1.50(3) . ?
N3 C26 1.49(2) . ?
N3 C27 1.50(2) . ?
N3 C25 1.50(2) . ?
N3A C22A 1.56(4) . ?
N3A C25A 1.53(3) . ?
N3A C26A 1.52(2) . ?
N3A C27A 1.53(2) . ?
N2 C13 1.498(13) . ?
N2 C16 1.53(3) . ?
N2 C16A 1.52(2) . ?
N2 C17 1.51(3) . ?
N2 C17A 1.52(2) . ?
N2 C18 1.51(2) . ?
N2 C18A 1.53(2) . ?
N1 C4 1.493(12) . ?
N1 C9 1.540(17) . ?
N1 C7 1.473(18) . ?
N1 C8 1.471(16) . ?
N5 C38 1.095(15) . ?
C19 C24 1.361(15) . ?
C19 C20 1.34(3) . ?
C19 C20A 1.45(3) . ?
C24 H24 0.9300 . ?
C24 C23 1.356(17) . ?
C23 H23 0.9300 . ?
C23 H23A 0.9300 . ?
C23 C22 1.26(3) . ?
C23 C22A 1.44(3) . ?
C22 C21 1.41(4) . ?
C22A C21A 1.28(4) . ?
C21 H21 0.9300 . ?
C21 C20 1.34(4) . ?
C21A H21A 0.9300 . ?
C21A C20A 1.41(4) . ?
C20 H20 0.9300 . ?
C20A H20A 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C25A H25A 0.9600 . ?
C25A H25B 0.9600 . ?
C25A H25C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C26A H26D 0.9600 . ?
C26A H26E 0.9600 . ?
C26A H26F 0.9600 . ?
C25 H25D 0.9600 . ?
C25 H25E 0.9600 . ?
C25 H25F 0.9600 . ?
C27A H27D 0.9600 . ?
C27A H27E 0.9600 . ?
C27A H27F 0.9600 . ?
C10 C11 1.409(14) . ?
C10 C15 1.380(14) . ?
C11 H11 0.9300 . ?
C11 C12 1.401(14) . ?
C12 H12 0.9300 . ?
C12 C13 1.358(17) . ?
C13 C14 1.375(19) . ?
C14 H14 0.9300 . ?
C14 C15 1.380(17) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16A H16D 0.9600 . ?
C16A H16E 0.9600 . ?
C16A H16F 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17A H17D 0.9600 . ?
C17A H17E 0.9600 . ?
C17A H17F 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18A H18D 0.9600 . ?
C18A H18E 0.9600 . ?
C18A H18F 0.9600 . ?
C1 C6 1.369(13) . ?
C1 C2 1.379(14) . ?
C6 H6 0.9300 . ?
C6 C5 1.386(13) . ?
C5 H5 0.9300 . ?
C5 C4 1.388(17) . ?
C4 C3 1.369(15) . ?
C3 H3 0.9300 . ?
C3 C2 1.383(13) . ?
C2 H2 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C28 C29 1.556(18) . ?
C29 F3A 1.381(19) . ?
C29 F2B 1.34(2) . ?
C29 F1B 1.33(2) . ?
C30 C31 1.54(2) . ?
C32 C33 1.504(15) . ?
C38 C39 1.47(2) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C33 F7B 1.386(19) . ?
C33 F9A 1.39(3) . ?
C33 F8A 1.39(3) . ?
C33 F9B 1.431(19) . ?
C33 F7A 1.39(3) . ?
C33 F8B 1.411(17) . ?
O9B C36B 1.22(4) . ?
C36 C37 1.511(19) . ?
C36 O10 1.30(4) . ?
C36 O9 1.30(4) . ?
F10 C35 1.337(19) . ?
F12 C35 1.325(19) . ?
F11 C35 1.339(19) . ?
C35 C34 1.58(2) . ?
C37 F15 1.294(17) . ?
C37 F14 1.292(18) . ?
C37 F13 1.301(18) . ?
O10A C36A 1.08(9) . ?
F16 C41 1.324(19) . ?
C41 F18 1.348(19) . ?
C41 F17 1.351(19) . ?
C41 C40 1.548(19) . ?
O11 C40 1.304(19) . ?
O12 C40 1.266(19) . ?
C41A F16A 1.42(2) . ?
C41A F18A 1.38(2) . ?
C41A F17A 1.39(2) . ?
C41A C40A 1.54(2) . ?
C40A O11A 1.23(2) . ?
C40A O12A 1.24(2) . ?
O7 C34 1.16(4) . ?
C34 C35A 1.545(19) . ?
C34 O8 1.28(4) . ?
F12A C35A 1.34(2) . ?
C35A F11A 1.36(2) . ?
C35A F10A 1.34(2) . ?
C36A O9A 1.36(8) . ?
C36A C37A 1.52(2) . ?
O10B C36B 1.22(4) . ?
C36B C37B 1.54(2) . ?
C37B F14B 1.33(2) . ?
C37B F13B 1.33(2) . ?
C37B F15B 1.34(2) . ?
C37A F14A 1.32(2) . ?
C37A F13A 1.33(2) . ?
C37A F15A 1.31(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag1 Ag5 Ag2 132.40(4) . 3_666 ?
S3 Ag5 Ag1 55.57(6) . . ?
S3 Ag5 Ag2 101.28(6) . 3_666 ?
S2 Ag5 Ag1 123.32(6) . . ?
S2 Ag5 Ag2 55.51(5) . 3_666 ?
S2 Ag5 S3 150.05(8) . . ?
O4 Ag5 Ag1 79.4(2) . . ?
O4 Ag5 Ag2 147.2(2) . 3_666 ?
O4 Ag5 S3 105.1(2) . . ?
O4 Ag5 S2 103.8(2) . . ?
Ag5 Ag1 Ag2 100.86(4) . . ?
Ag5 Ag1 Ag6 100.05(3) . 3_666 ?
Ag2 Ag1 Ag6 63.43(3) . 3_666 ?
S3 Ag1 Ag5 53.58(6) . . ?
S3 Ag1 Ag2 98.31(6) . . ?
S3 Ag1 Ag6 53.31(6) . 3_666 ?
S3 Ag1 S1 128.33(8) . . ?
S1 Ag1 Ag5 86.94(6) . . ?
S1 Ag1 Ag2 53.43(5) . . ?
S1 Ag1 Ag6 116.58(6) . 3_666 ?
O1 Ag1 Ag5 174.9(2) . . ?
O1 Ag1 Ag2 81.2(2) . . ?
O1 Ag1 Ag6 76.6(2) . 3_666 ?
O1 Ag1 S3 121.6(2) . . ?
O1 Ag1 S1 98.0(2) . . ?
O1 Ag1 O3 96.3(3) . . ?
O3 Ag1 Ag5 83.42(18) . . ?
O3 Ag1 Ag2 158.6(2) . . ?
O3 Ag1 Ag6 136.9(2) . 3_666 ?
O3 Ag1 S3 100.9(2) . . ?
O3 Ag1 S1 106.5(2) . . ?
Ag5 Ag2 Ag1 123.64(4) 3_666 . ?
Ag5 Ag2 Ag3 70.46(3) 3_666 . ?
Ag5 Ag2 Ag6 97.50(3) 3_666 3_666 ?
Ag1 Ag2 Ag6 59.82(3) . 3_666 ?
Ag3 Ag2 Ag1 104.34(3) . . ?
Ag3 Ag2 Ag6 151.30(4) . 3_666 ?
S2 Ag2 Ag5 53.18(5) 3_666 3_666 ?
S2 Ag2 Ag1 103.87(6) 3_666 . ?
S2 Ag2 Ag3 123.55(6) 3_666 . ?
S2 Ag2 Ag6 49.47(6) 3_666 3_666 ?
S1 Ag2 Ag5 112.74(6) . 3_666 ?
S1 Ag2 Ag1 54.74(6) . . ?
S1 Ag2 Ag3 53.03(6) . . ?
S1 Ag2 Ag6 114.31(7) . 3_666 ?
S1 Ag2 S2 145.85(8) . 3_666 ?
O2 Ag2 Ag5 147.3(2) . 3_666 ?
O2 Ag2 Ag1 80.5(3) . . ?
O2 Ag2 Ag3 129.1(3) . . ?
O2 Ag2 Ag6 74.8(3) . 3_666 ?
O2 Ag2 S2 103.1(3) . 3_666 ?
O2 Ag2 S1 99.1(2) . . ?
O2 Ag2 O10A 84.9(11) . . ?
O2 Ag2 O10 96.6(7) . . ?
O10A Ag2 Ag1 163.2(11) . . ?
O10A Ag2 Ag3 78.5(13) . . ?
O10A Ag2 S2 87.5(13) . 3_666 ?
O10A Ag2 S1 120.2(13) . . ?
O10 Ag2 Ag5 62.5(7) . 3_666 ?
O10 Ag2 Ag1 171.3(7) . . ?
O10 Ag2 Ag3 71.1(7) . . ?
O10 Ag2 Ag6 127.5(7) . 3_666 ?
O10 Ag2 S2 84.8(8) . 3_666 ?
O10 Ag2 S1 118.2(7) . . ?
Ag2 Ag3 Ag4 97.26(4) . . ?
S3 Ag3 Ag2 97.60(6) 3_666 . ?
S3 Ag3 Ag4 96.42(6) 3_666 . ?
S1 Ag3 Ag2 54.04(6) . . ?
S1 Ag3 Ag4 50.22(5) . . ?
S1 Ag3 S3 122.31(8) . 3_666 ?
O6 Ag3 Ag2 169.1(3) . . ?
O6 Ag3 Ag4 81.0(2) . . ?
O6 Ag3 S3 93.3(3) . 3_666 ?
O6 Ag3 S1 119.0(2) . . ?
O6 Ag3 O9 87.7(4) . . ?
O9B Ag3 Ag2 80.0(13) . . ?
O9B Ag3 Ag4 161.6(10) . . ?
O9B Ag3 S1 117.1(12) . . ?
O9B Ag3 O6 98.2(14) . . ?
O9 Ag3 Ag2 91.6(4) . . ?
O9 Ag3 Ag4 163.3(4) . . ?
O9 Ag3 S3 96.4(4) . 3_666 ?
O9 Ag3 S1 128.6(4) . . ?
O9A Ag3 Ag2 75.9(13) . . ?
O9A Ag3 Ag4 148.4(11) . . ?
O9A Ag3 S1 105.4(12) . . ?
O9A Ag3 O6 99.9(14) . . ?
S2 Ag4 Ag3 100.29(5) . . ?
S1 Ag4 Ag3 49.98(6) . . ?
S1 Ag4 S2 110.18(8) . . ?
O5 Ag4 Ag3 71.6(2) . . ?
O5 Ag4 S2 95.9(3) . . ?
O5 Ag4 S1 118.6(2) . . ?
N5 Ag4 Ag3 150.2(3) . . ?
N5 Ag4 S2 109.5(3) . . ?
N5 Ag4 S1 116.9(3) . . ?
N5 Ag4 O5 103.7(4) . . ?
Ag1 Ag6 Ag2 56.75(3) 3_666 3_666 ?
S3 Ag6 Ag1 52.29(5) 3_666 3_666 ?
S3 Ag6 Ag2 92.56(6) 3_666 3_666 ?
S2 Ag6 Ag1 102.75(6) . 3_666 ?
S2 Ag6 Ag2 51.37(5) . 3_666 ?
S2 Ag6 S3 106.46(8) . 3_666 ?
O7 Ag6 Ag1 99.4(6) . 3_666 ?
O7 Ag6 Ag2 130.7(6) . 3_666 ?
O7 Ag6 S3 105.1(6) . 3_666 ?
O7 Ag6 S2 148.2(6) . . ?
Ag5 S3 Ag1 70.85(7) . . ?
Ag5 S3 Ag3 85.06(7) . 3_666 ?
Ag5 S3 Ag6 131.16(11) . 3_666 ?
Ag1 S3 Ag3 144.42(11) . 3_666 ?
Ag1 S3 Ag6 74.40(7) . 3_666 ?
Ag3 S3 Ag6 105.55(9) 3_666 3_666 ?
C19 S3 Ag5 107.7(3) . . ?
C19 S3 Ag1 105.7(3) . . ?
C19 S3 Ag3 106.4(3) . 3_666 ?
C19 S3 Ag6 114.1(3) . 3_666 ?
Ag5 S2 Ag2 71.32(7) . 3_666 ?
Ag5 S2 Ag4 88.83(7) . . ?
Ag5 S2 Ag6 137.29(9) . . ?
Ag2 S2 Ag4 141.56(9) 3_666 . ?
Ag6 S2 Ag2 79.15(7) . 3_666 ?
Ag6 S2 Ag4 96.10(9) . . ?
C10 S2 Ag5 105.7(3) . . ?
C10 S2 Ag2 101.7(3) . 3_666 ?
C10 S2 Ag4 115.5(3) . . ?
C10 S2 Ag6 110.1(3) . . ?
Ag2 S1 Ag1 71.83(7) . . ?
Ag3 S1 Ag1 137.45(9) . . ?
Ag3 S1 Ag2 72.94(7) . . ?
Ag3 S1 Ag4 79.80(8) . . ?
Ag4 S1 Ag1 110.04(9) . . ?
Ag4 S1 Ag2 135.04(9) . . ?
C1 S1 Ag1 102.3(3) . . ?
C1 S1 Ag2 106.6(3) . . ?
C1 S1 Ag3 110.1(4) . . ?
C1 S1 Ag4 116.1(3) . . ?
C28 O1 Ag1 121.7(8) . . ?
C28 O2 Ag2 124.3(8) . . ?
C30 O3 Ag1 121.1(7) . . ?
C30 O4 Ag5 124.2(7) . . ?
C32 O5 Ag4 132.9(9) . . ?
C32 O6 Ag3 115.6(9) . . ?
C22 N3 C25 110.5(19) . . ?
C26 N3 C22 112(2) . . ?
C26 N3 C27 108(2) . . ?
C26 N3 C25 106(2) . . ?
C27 N3 C22 113.7(19) . . ?
C27 N3 C25 107(2) . . ?
C25A N3A C22A 107(3) . . ?
C26A N3A C22A 107.8(18) . . ?
C26A N3A C25A 112(3) . . ?
C26A N3A C27A 104(3) . . ?
C27A N3A C22A 110(3) . . ?
C27A N3A C25A 115(3) . . ?
C13 N2 C16 111.3(15) . . ?
C13 N2 C16A 112.4(15) . . ?
C13 N2 C17 112.1(17) . . ?
C13 N2 C17A 107.8(14) . . ?
C13 N2 C18 109.6(14) . . ?
C13 N2 C18A 107.2(13) . . ?
C16A N2 C17A 113(2) . . ?
C16A N2 C18A 113(2) . . ?
C17 N2 C16 107.1(12) . . ?
C17A N2 C18A 103.1(19) . . ?
C18 N2 C16 107.1(13) . . ?
C18 N2 C17 109.5(13) . . ?
C4 N1 C9 107.9(9) . . ?
C7 N1 C4 114.3(9) . . ?
C7 N1 C9 109.0(11) . . ?
C8 N1 C4 109.7(9) . . ?
C8 N1 C9 108.1(11) . . ?
C8 N1 C7 107.6(10) . . ?
C38 N5 Ag4 158.2(11) . . ?
C24 C19 S3 121.8(8) . . ?
C24 C19 C20A 112.7(16) . . ?
C20 C19 S3 114.5(15) . . ?
C20 C19 C24 121.0(16) . . ?
C20A C19 S3 123.5(15) . . ?
C19 C24 H24 118.3 . . ?
C23 C24 C19 123.4(11) . . ?
C23 C24 H24 118.3 . . ?
C24 C23 H23 122.5 . . ?
C24 C23 H23A 120.2 . . ?
C24 C23 C22A 119.5(16) . . ?
C22 C23 C24 115.0(17) . . ?
C22 C23 H23 122.5 . . ?
C22A C23 H23A 120.2 . . ?
C23 C22 N3 118(2) . . ?
C23 C22 C21 122(2) . . ?
C21 C22 N3 120(2) . . ?
C23 C22A N3A 120(2) . . ?
C21A C22A N3A 121(3) . . ?
C21A C22A C23 119(2) . . ?
C22 C21 H21 118.4 . . ?
C20 C21 C22 123(2) . . ?
C20 C21 H21 118.4 . . ?
C22A C21A H21A 119.6 . . ?
C22A C21A C20A 121(3) . . ?
C20A C21A H21A 119.6 . . ?
C19 C20 C21 113(2) . . ?
C19 C20 H20 123.4 . . ?
C21 C20 H20 123.4 . . ?
C19 C20A H20A 119.3 . . ?
C21A C20A C19 121(3) . . ?
C21A C20A H20A 119.3 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3A C25A H25A 109.5 . . ?
N3A C25A H25B 109.5 . . ?
N3A C25A H25C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3A C26A H26D 109.5 . . ?
N3A C26A H26E 109.5 . . ?
N3A C26A H26F 109.5 . . ?
H26D C26A H26E 109.5 . . ?
H26D C26A H26F 109.5 . . ?
H26E C26A H26F 109.5 . . ?
N3 C25 H25D 109.5 . . ?
N3 C25 H25E 109.5 . . ?
N3 C25 H25F 109.5 . . ?
H25D C25 H25E 109.5 . . ?
H25D C25 H25F 109.5 . . ?
H25E C25 H25F 109.5 . . ?
N3A C27A H27D 109.5 . . ?
N3A C27A H27E 109.5 . . ?
N3A C27A H27F 109.5 . . ?
H27D C27A H27E 109.5 . . ?
H27D C27A H27F 109.5 . . ?
H27E C27A H27F 109.5 . . ?
C11 C10 S2 120.7(7) . . ?
C15 C10 S2 122.3(9) . . ?
C15 C10 C11 117.0(9) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.6(10) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.2(12) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 N2 120.4(11) . . ?
C12 C13 C14 120.0(10) . . ?
C14 C13 N2 119.6(10) . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.2(11) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 C14 121.9(12) . . ?
C10 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C16A H16D 109.5 . . ?
N2 C16A H16E 109.5 . . ?
N2 C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C17A H17D 109.5 . . ?
N2 C17A H17E 109.5 . . ?
N2 C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C18A H18D 109.5 . . ?
N2 C18A H18E 109.5 . . ?
N2 C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C6 C1 S1 119.4(8) . . ?
C6 C1 C2 119.2(9) . . ?
C2 C1 S1 121.4(7) . . ?
C1 C6 H6 119.5 . . ?
C1 C6 C5 120.9(10) . . ?
C5 C6 H6 119.5 . . ?
C6 C5 H5 120.3 . . ?
C6 C5 C4 119.4(10) . . ?
C4 C5 H5 120.3 . . ?
C5 C4 N1 119.0(10) . . ?
C3 C4 N1 121.3(10) . . ?
C3 C4 C5 119.7(9) . . ?
C4 C3 H3 119.9 . . ?
C4 C3 C2 120.3(10) . . ?
C2 C3 H3 119.9 . . ?
C1 C2 C3 120.4(10) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O1 C28 C29 114.9(13) . . ?
O2 C28 O1 131.1(11) . . ?
O2 C28 C29 114.0(11) . . ?
F2A C29 F1A 108(2) . . ?
F2A C29 C28 111.8(14) . . ?
F2A C29 F3A 113.7(19) . . ?
F2 C29 C28 111.3(15) . . ?
F1A C29 C28 102.4(16) . . ?
F1 C29 F2 98.0(19) . . ?
F1 C29 F3 115(2) . . ?
F1 C29 C28 117.7(17) . . ?
F3B C29 C28 108.8(15) . . ?
F3 C29 F2 104(2) . . ?
F3 C29 C28 109.4(15) . . ?
F3A C29 F1A 107(2) . . ?
F3A C29 C28 113.0(15) . . ?
F2B C29 F3B 106(2) . . ?
F2B C29 C28 113.8(16) . . ?
F1B C29 F3B 87(2) . . ?
F1B C29 C28 117(2) . . ?
F1B C29 F2B 120(3) . . ?
O3 C30 C31 115.1(12) . . ?
O4 C30 O3 128.8(11) . . ?
O4 C30 C31 116.1(12) . . ?
F4 C31 F6 90(2) . . ?
F4 C31 C30 114.9(18) . . ?
F4A C31 C30 110.5(17) . . ?
F5 C31 F4 128(2) . . ?
F5 C31 F6 101.3(19) . . ?
F5 C31 C30 109.7(16) . . ?
F5A C31 F4A 117(2) . . ?
F5A C31 F6A 95(2) . . ?
F5A C31 C30 118.6(19) . . ?
F6 C31 C30 106.5(17) . . ?
F6A C31 F4A 105(2) . . ?
F6A C31 C30 108.7(19) . . ?
O5 C32 C33 115.2(12) . . ?
O6 C32 O5 128.8(13) . . ?
O6 C32 C33 115.9(11) . . ?
N5 C38 C39 175.7(16) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
F7 C33 F8 100.7(13) . . ?
F7 C33 C32 112.8(16) . . ?
F8 C33 C32 103.2(15) . . ?
F9 C33 F7 107.5(14) . . ?
F9 C33 F8 104.5(12) . . ?
F9 C33 C32 125.0(13) . . ?
F7B C33 C32 121.5(15) . . ?
F7B C33 F9B 106.4(13) . . ?
F7B C33 F8B 107.2(12) . . ?
F9A C33 C32 112(2) . . ?
F8A C33 C32 122(2) . . ?
F8A C33 F9A 98(2) . . ?
F9B C33 C32 106.0(15) . . ?
F7A C33 C32 124(2) . . ?
F7A C33 F9A 98(2) . . ?
F7A C33 F8A 99(2) . . ?
F8B C33 C32 109.6(12) . . ?
F8B C33 F9B 104.9(11) . . ?
C36B O9B Ag3 127(4) . . ?
O10 C36 C37 117(3) . . ?
O9 C36 C37 115(2) . . ?
O9 C36 O10 125(3) . . ?
F10 C35 F11 103(2) . . ?
F10 C35 C34 102(3) . . ?
F12 C35 F10 103(2) . . ?
F12 C35 F11 101(2) . . ?
F12 C35 C34 110(3) . . ?
F11 C35 C34 133(3) . . ?
F15 C37 C36 114.7(19) . . ?
F15 C37 F13 105.7(17) . . ?
F14 C37 C36 115(2) . . ?
F14 C37 F15 106.2(16) . . ?
F14 C37 F13 105.6(17) . . ?
F13 C37 C36 108.6(19) . . ?
C36A O10A Ag2 126(5) . . ?
F16 C41 F18 100(2) . . ?
F16 C41 F17 100(2) . . ?
F16 C41 C40 95(2) . . ?
F18 C41 F17 99(2) . . ?
F18 C41 C40 126(2) . . ?
F17 C41 C40 129(2) . . ?
O11 C40 C41 126(3) . . ?
O12 C40 C41 116(3) . . ?
O12 C40 O11 118(3) . . ?
F16A C41A C40A 110(4) . . ?
F18A C41A F16A 112(2) . . ?
F18A C41A F17A 115(3) . . ?
F18A C41A C40A 106(4) . . ?
F17A C41A F16A 113(2) . . ?
F17A C41A C40A 100(4) . . ?
O11A C40A C41A 135(5) . . ?
O11A C40A O12A 125(4) . . ?
O12A C40A C41A 100(4) . . ?
C34 O7 Ag6 121(2) . . ?
O7 C34 C35 113(3) . . ?
O7 C34 C35A 126(4) . . ?
O7 C34 O8 114(3) . . ?
O8 C34 C35 133(4) . . ?
O8 C34 C35A 102(3) . . ?
F12A C35A C34 113(4) . . ?
F12A C35A F11A 111(2) . . ?
F11A C35A C34 101(3) . . ?
F10A C35A C34 111(4) . . ?
F10A C35A F12A 111(2) . . ?
F10A C35A F11A 111(2) . . ?
C36 O10 Ag2 133(2) . . ?
C36 O9 Ag3 114.4(16) . . ?
O10A C36A O9A 123(5) . . ?
O10A C36A C37A 122(6) . . ?
O9A C36A C37A 115(5) . . ?
C36A O9A Ag3 124(4) . . ?
O9B C36B C37B 125(4) . . ?
O10B C36B O9B 108(4) . . ?
O10B C36B C37B 126(4) . . ?
F14B C37B C36B 125(4) . . ?
F14B C37B F15B 108(3) . . ?
F13B C37B C36B 109(4) . . ?
F13B C37B F14B 107(3) . . ?
F13B C37B F15B 107(3) . . ?
F15B C37B C36B 99(4) . . ?
F14A C37A C36A 114(4) . . ?
F14A C37A F13A 113(4) . . ?
F13A C37A C36A 106(3) . . ?
F15A C37A C36A 124(4) . . ?
F15A C37A F14A 100(3) . . ?
F15A C37A F13A 98(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag5 S3 C19 C24 -13.6(11) . . . . ?
Ag5 S3 C19 C20 147.8(16) . . . . ?
Ag5 S3 C19 C20A -176.3(17) . . . . ?
Ag5 S2 C10 C11 -42.0(8) . . . . ?
Ag5 S2 C10 C15 139.6(10) . . . . ?
Ag5 O4 C30 O3 -22(2) . . . . ?
Ag5 O4 C30 C31 155.2(11) . . . . ?
Ag1 S3 C19 C24 -88.1(10) . . . . ?
Ag1 S3 C19 C20 73.3(16) . . . . ?
Ag1 S3 C19 C20A 109.2(18) . . . . ?
Ag1 S1 C1 C6 48.3(8) . . . . ?
Ag1 S1 C1 C2 -131.4(8) . . . . ?
Ag1 O1 C28 O2 12(2) . . . . ?
Ag1 O1 C28 C29 -165.8(8) . . . . ?
Ag1 O3 C30 O4 9(2) . . . . ?
Ag1 O3 C30 C31 -167.7(10) . . . . ?
Ag2 S2 C10 C11 -115.7(8) 3_666 . . . ?
Ag2 S2 C10 C15 65.9(10) 3_666 . . . ?
Ag2 S1 C1 C6 122.7(8) . . . . ?
Ag2 S1 C1 C2 -57.0(9) . . . . ?
Ag2 O2 C28 O1 -14(2) . . . . ?
Ag2 O2 C28 C29 163.3(8) . . . . ?
Ag2 O10A C36A O9A 9(4) . . . . ?
Ag2 O10A C36A C37A -168(3) . . . . ?
Ag3 S3 C19 C24 76.4(10) 3_666 . . . ?
Ag3 S3 C19 C20 -122.2(16) 3_666 . . . ?
Ag3 S3 C19 C20A -86.3(18) 3_666 . . . ?
Ag3 S1 C1 C6 -159.8(7) . . . . ?
Ag3 S1 C1 C2 20.5(9) . . . . ?
Ag3 O6 C32 O5 -23(2) . . . . ?
Ag3 O6 C32 C33 154.1(10) . . . . ?
Ag3 O9B C36B O10B -50(6) . . . . ?
Ag3 O9B C36B C37B 132(4) . . . . ?
Ag4 S2 C10 C11 54.3(9) . . . . ?
Ag4 S2 C10 C15 -124.1(9) . . . . ?
Ag4 S1 C1 C6 -71.6(9) . . . . ?
Ag4 S1 C1 C2 108.7(8) . . . . ?
Ag4 O5 C32 O6 -9(3) . . . . ?
Ag4 O5 C32 C33 174.0(9) . . . . ?
Ag6 S3 C19 C24 -167.7(9) 3_666 . . . ?
Ag6 S3 C19 C20 -6.3(17) 3_666 . . . ?
Ag6 S3 C19 C20A 29.6(18) 3_666 . . . ?
Ag6 S2 C10 C11 161.7(7) . . . . ?
Ag6 S2 C10 C15 -16.7(10) . . . . ?
Ag6 O7 C34 C35 -139(2) . . . . ?
Ag6 O7 C34 C35A 171(3) . . . . ?
Ag6 O7 C34 O8 44(5) . . . . ?
S3 C19 C24 C23 176.7(11) . . . . ?
S3 C19 C20 C21 -174(2) . . . . ?
S3 C19 C20A C21A 177(2) . . . . ?
S2 C10 C11 C12 178.4(9) . . . . ?
S2 C10 C15 C14 -178.8(11) . . . . ?
S1 C1 C6 C5 -178.6(9) . . . . ?
S1 C1 C2 C3 176.6(9) . . . . ?
O1 C28 C29 F2A 52(2) . . . . ?
O1 C28 C29 F2 21(2) . . . . ?
O1 C28 C29 F1A -63(2) . . . . ?
O1 C28 C29 F1 -91(2) . . . . ?
O1 C28 C29 F3B -140.4(18) . . . . ?
O1 C28 C29 F3 135.4(19) . . . . ?
O1 C28 C29 F3A -178.1(18) . . . . ?
O1 C28 C29 F2B 102(2) . . . . ?
O1 C28 C29 F1B -44(3) . . . . ?
O2 C28 C29 F2A -125.8(18) . . . . ?
O2 C28 C29 F2 -157.3(18) . . . . ?
O2 C28 C29 F1A 119(2) . . . . ?
O2 C28 C29 F1 91(2) . . . . ?
O2 C28 C29 F3B 42(2) . . . . ?
O2 C28 C29 F3 -43(2) . . . . ?
O2 C28 C29 F3A 4(2) . . . . ?
O2 C28 C29 F2B -76(2) . . . . ?
O2 C28 C29 F1B 138(3) . . . . ?
O3 C30 C31 F4 -155.9(19) . . . . ?
O3 C30 C31 F4A 142.6(17) . . . . ?
O3 C30 C31 F5 51(2) . . . . ?
O3 C30 C31 F5A 4(3) . . . . ?
O3 C30 C31 F6 -58(2) . . . . ?
O3 C30 C31 F6A -103(2) . . . . ?
O4 C30 C31 F4 27(3) . . . . ?
O4 C30 C31 F4A -35(2) . . . . ?
O4 C30 C31 F5 -126.2(17) . . . . ?
O4 C30 C31 F5A -174(2) . . . . ?
O4 C30 C31 F6 125(2) . . . . ?
O4 C30 C31 F6A 80(2) . . . . ?
O5 C32 C33 F7 -51(2) . . . . ?
O5 C32 C33 F8 57.1(19) . . . . ?
O5 C32 C33 F9 175.6(16) . . . . ?
O5 C32 C33 F7B 22(2) . . . . ?
O5 C32 C33 F9A -133(2) . . . . ?
O5 C32 C33 F8A 112(3) . . . . ?
O5 C32 C33 F9B -99.7(18) . . . . ?
O5 C32 C33 F7A -16(3) . . . . ?
O5 C32 C33 F8B 147.6(15) . . . . ?
O6 C32 C33 F7 132.1(18) . . . . ?
O6 C32 C33 F8 -120.2(17) . . . . ?
O6 C32 C33 F9 -2(2) . . . . ?
O6 C32 C33 F7B -155.6(17) . . . . ?
O6 C32 C33 F9A 50(3) . . . . ?
O6 C32 C33 F8A -65(3) . . . . ?
O6 C32 C33 F9B 83.0(19) . . . . ?
O6 C32 C33 F7A 166(3) . . . . ?
O6 C32 C33 F8B -30(2) . . . . ?
N3 C22 C21 C20 174(3) . . . . ?
N3A C22A C21A C20A 177(3) . . . . ?
N2 C13 C14 C15 178.8(13) . . . . ?
N1 C4 C3 C2 178.6(10) . . . . ?
C19 C24 C23 C22 -14(3) . . . . ?
C19 C24 C23 C22A 11(2) . . . . ?
C24 C19 C20 C21 -13(4) . . . . ?
C24 C19 C20A C21A 13(4) . . . . ?
C24 C23 C22 N3 -172.9(19) . . . . ?
C24 C23 C22 C21 9(4) . . . . ?
C24 C23 C22A N3A 177.5(17) . . . . ?
C24 C23 C22A C21A 4(4) . . . . ?
C23 C22 C21 C20 -7(6) . . . . ?
C23 C22A C21A C20A -10(5) . . . . ?
C22 C21 C20 C19 9(5) . . . . ?
C22A C21A C20A C19 1(5) . . . . ?
C20 C19 C24 C23 16(3) . . . . ?
C20A C19 C24 C23 -19(2) . . . . ?
C26 N3 C22 C23 -114(3) . . . . ?
C26 N3 C22 C21 64(4) . . . . ?
C25A N3A C22A C23 59(3) . . . . ?
C25A N3A C22A C21A -128(3) . . . . ?
C27 N3 C22 C23 8(4) . . . . ?
C27 N3 C22 C21 -174(3) . . . . ?
C26A N3A C22A C23 -62(3) . . . . ?
C26A N3A C22A C21A 111(3) . . . . ?
C25 N3 C22 C23 128(3) . . . . ?
C25 N3 C22 C21 -54(4) . . . . ?
C27A N3A C22A C23 -175(3) . . . . ?
C27A N3A C22A C21A -2(4) . . . . ?
C10 C11 C12 C13 1.9(19) . . . . ?
C11 C10 C15 C14 2.7(19) . . . . ?
C11 C12 C13 N2 -179.2(11) . . . . ?
C11 C12 C13 C14 0(2) . . . . ?
C12 C13 C14 C15 0(2) . . . . ?
C13 C14 C15 C10 -1(2) . . . . ?
C15 C10 C11 C12 -3.1(17) . . . . ?
C16 N2 C13 C12 -27.7(18) . . . . ?
C16 N2 C13 C14 153.3(16) . . . . ?
C16A N2 C13 C12 7(2) . . . . ?
C16A N2 C13 C14 -172(2) . . . . ?
C17 N2 C13 C12 -147.6(16) . . . . ?
C17 N2 C13 C14 33.4(18) . . . . ?
C17A N2 C13 C12 -117.7(18) . . . . ?
C17A N2 C13 C14 63.3(19) . . . . ?
C18 N2 C13 C12 90.6(16) . . . . ?
C18 N2 C13 C14 -88.4(17) . . . . ?
C18A N2 C13 C12 131.9(19) . . . . ?
C18A N2 C13 C14 -47(2) . . . . ?
C1 C6 C5 C4 1.9(17) . . . . ?
C6 C1 C2 C3 -3.1(16) . . . . ?
C6 C5 C4 N1 179.4(10) . . . . ?
C6 C5 C4 C3 -3.0(17) . . . . ?
C5 C4 C3 C2 1.0(17) . . . . ?
C4 C3 C2 C1 2.1(17) . . . . ?
C2 C1 C6 C5 1.1(16) . . . . ?
C9 N1 C4 C5 -53.7(14) . . . . ?
C9 N1 C4 C3 128.6(13) . . . . ?
C7 N1 C4 C5 -175.2(11) . . . . ?
C7 N1 C4 C3 7.2(15) . . . . ?
C8 N1 C4 C5 63.8(14) . . . . ?
C8 N1 C4 C3 -113.8(12) . . . . ?
O9B C36B C37B F14B -50(7) . . . . ?
O9B C36B C37B F13B -179(5) . . . . ?
O9B C36B C37B F15B 70(6) . . . . ?
F10 C35 C34 O7 -98(3) . . . . ?
F10 C35 C34 O8 78(5) . . . . ?
F12 C35 C34 O7 153(3) . . . . ?
F12 C35 C34 O8 -31(5) . . . . ?
F11 C35 C34 O7 23(5) . . . . ?
F11 C35 C34 O8 -160(4) . . . . ?
C37 C36 O10 Ag2 176.9(16) . . . . ?
C37 C36 O9 Ag3 -155.8(12) . . . . ?
O10A C36A O9A Ag3 27(4) . . . . ?
O10A C36A C37A F14A -9(4) . . . . ?
O10A C36A C37A F13A 117(4) . . . . ?
O10A C36A C37A F15A -131(4) . . . . ?
F16 C41 C40 O11 174(2) . . . . ?
F16 C41 C40 O12 -9(2) . . . . ?
F18 C41 C40 O11 68(3) . . . . ?
F18 C41 C40 O12 -115(3) . . . . ?
F17 C41 C40 O11 -79(4) . . . . ?
F17 C41 C40 O12 98(3) . . . . ?
F16A C41A C40A O11A -114(4) . . . . ?
F16A C41A C40A O12A 64(3) . . . . ?
F18A C41A C40A O11A 124(4) . . . . ?
F18A C41A C40A O12A -57(3) . . . . ?
F17A C41A C40A O11A 4(4) . . . . ?
F17A C41A C40A O12A -178(3) . . . . ?
O7 C34 C35A F12A 163(4) . . . . ?
O7 C34 C35A F11A 45(4) . . . . ?
O7 C34 C35A F10A -72(5) . . . . ?
O10 C36 C37 F15 -44(3) . . . . ?
O10 C36 C37 F14 -168(2) . . . . ?
O10 C36 C37 F13 74(3) . . . . ?
O10 C36 O9 Ag3 6(4) . . . . ?
O9 C36 C37 F15 120(2) . . . . ?
O9 C36 C37 F14 -4(3) . . . . ?
O9 C36 C37 F13 -122(2) . . . . ?
O9 C36 O10 Ag2 15(5) . . . . ?
O9A C36A C37A F14A 174(3) . . . . ?
O9A C36A C37A F13A -60(4) . . . . ?
O9A C36A C37A F15A 51(4) . . . . ?
O10B C36B C37B F14B 131(5) . . . . ?
O10B C36B C37B F13B 3(7) . . . . ?
O10B C36B C37B F15B -108(6) . . . . ?
C37A C36A O9A Ag3 -156(3) . . . . ?
O8 C34 C35A F12A -64(4) . . . . ?
O8 C34 C35A F11A 178(3) . . . . ?
O8 C34 C35A F10A 60(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.125 0.250 -0.725 353.7 105.6 ?
2 -0.125 0.750 -0.919 353.7 103.6 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_submission_special_instructions 'No special instructions were received'
