# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_nc_1
_database_code_depnum_ccdc_archive 'CCDC 1855158'
_audit_update_record             
;
2018-07-11 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;
# end Validation Reply Form
_audit_creation_date             2018-04-16
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.07.14 svn.r3447 for OlexSys, GUI svn.r5367)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C84 H72 Ag12 F18 N6 O12 S6, C H4 O, 2(H2 O)'
_chemical_formula_sum            'C85 H80 Ag12 F18 N6 O15 S6'
_chemical_formula_weight         3254.35
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N S Ag'
_chemical_oxdiff_usercomment     st
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.1505(5)
_cell_length_b                   24.3587(9)
_cell_length_c                   16.8797(4)
_cell_angle_alpha                90
_cell_angle_beta                 108.468(4)
_cell_angle_gamma                90
_cell_volume                     5518.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10709
_cell_measurement_temperature    239.99(10)
_cell_measurement_theta_max      72.8230
_cell_measurement_theta_min      3.5700
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.500
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3148
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_av_unetI/netI     0.0602
_diffrn_reflns_Laue_measured_fraction_full 0.939
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            31722
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         64.991
_diffrn_reflns_theta_min         3.303
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      239.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -46.00 -10.00   0.25    0.25    --    0.00 -77.00 150.00  144
  2  ω     -3.00  36.00   0.25    0.25    --    0.00 -77.00 150.00  156
  3  ω    -32.00  38.00   0.25    0.25    --    0.00 -82.00  30.00  280
  4  ω    -33.00  23.00   0.25    0.25    --    0.00 -82.00-120.00  224
  5  ω     82.00 134.00   0.25    1.50    --   97.60 -82.00 120.00  208
  6  ω     97.00 134.00   0.25    1.50    --   97.60 -77.00 150.00  148
  7  ω     82.00 136.00   0.25    1.50    --   97.60 -82.00  90.00  216
  8  ω     80.00 105.00   0.25    1.50    --   97.60 -82.00 150.00  100
  9  ω     39.00  75.00   0.25    1.50    --   97.60 -77.00 150.00  144
 10  ω      8.00  78.00   0.25    1.50    --   97.60 -82.00 120.00  280
 11  ω     14.00  57.00   0.25    1.50    --   97.60 -82.00-180.00  172
 12  ω     95.00 136.00   0.25    1.50    --   97.60 -82.00-180.00  164
 13  ω     66.00 185.00   0.25    1.50    --   97.60  45.00  30.00  476
 14  ω    132.00 179.00   0.25    1.50    --   97.60  82.00  60.00  188
 15  ω    112.00 163.00   0.25    1.50    --   97.60  82.00 -90.00  204
 16  ω     87.00 125.00   0.25    1.50    --   97.60  82.00  60.00  152
 17  ω     66.00 179.00   0.25    1.50    --   97.60  45.00  60.00  452
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0394733000
_diffrn_orient_matrix_UB_12      0.0593448000
_diffrn_orient_matrix_UB_13      0.0113257000
_diffrn_orient_matrix_UB_21      -0.0994203000
_diffrn_orient_matrix_UB_22      0.0203279000
_diffrn_orient_matrix_UB_23      -0.0612967000
_diffrn_orient_matrix_UB_31      -0.0416402000
_diffrn_orient_matrix_UB_32      0.0078096000
_diffrn_orient_matrix_UB_33      0.0733127000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6369
_reflns_number_total             9378
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.942
_refine_diff_density_min         -1.473
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     718
_refine_ls_number_reflns         9378
_refine_ls_number_restraints     479
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0765
_refine_ls_restrained_S_all      1.122
_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)+(0.1586P)²+1.5597P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2453
_refine_ls_wR_factor_ref         0.2616
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O7-C43
 1.42 with sigma of 0.01
 F17-C28 \\sim F2-C28 \\sim F1-C28 \\sim F18-C28 \\sim F3-C28 \\sim F16-C28
 with sigma of 0.01
 F7-C42 \\sim F14-C42 \\sim F6-C42 \\sim F13-C42 \\sim F15-C42 \\sim F4-C42
 with sigma of 0.01
 F12-C41 \\sim F11-C41 \\sim F5-C41 \\sim F10-C41 \\sim F9-C41 \\sim F8-C41
 with sigma of 0.01
 C6-C23 \\sim C23-C21 \\sim C22-C21 \\sim C24-C22 \\sim C24-C16 \\sim C6-C16
 with sigma of 0.01
3. Rigid bond restraints
 C42, C40
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C23, C6
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C38, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O3, C40
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
F16 \\sim C28: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C14 \\sim C15 \\sim C10 \\sim C11 \\sim C12 \\sim C13: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C33 \\sim N2 \\sim C29 \\sim C34 \\sim C36 \\sim C37: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C28 \\sim F17 \\sim F2 \\sim F1 \\sim F18 \\sim F3 \\sim F16: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
F11 \\sim C41 \\sim F12 \\sim F8 \\sim F9 \\sim F10 \\sim F5: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C42 \\sim F7 \\sim F14 \\sim F6 \\sim F13 \\sim F4 \\sim F15: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C16 \\sim C6 \\sim C23 \\sim C21 \\sim C22 \\sim C24: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C38 \\sim C35 \\sim C31 \\sim C32: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
O3 \\sim C40 \\sim O4: within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(C7) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(O3) \\sim
Ueq, Uanis(O4) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(O8) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Fixed Sof: F1(0.5) F2(0.5) F3(0.5) F4(0.6) F5(0.5) F6(0.6) F7(0.6) F8(0.5)
 F9(0.5) F10(0.5) F11(0.5) F12(0.5) F13(0.4) F14(0.4) F15(0.4) F16(0.5)
 F17(0.5) F18(0.5) O7(0.5) H7a(0.5) C43(0.5) H43a(0.5) H43b(0.5) H43c(0.5)
6.a Riding coordinates:
 O7(H7a), O8(H8c,H8d)
6.b Secondary CH2 refined with riding coordinates:
 C3(H3a,H3b), C4(H4a,H4b), C8(H8a,H8b)
6.c Me refined with riding coordinates:
 C43(H43a,H43b,H43c)
6.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C26(H26), C27(H27), C29(H29), C30(H30), C31(H31),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
6.e Fitted hexagon refined as free rotating group:
 C10(C11,C12,C13,C14,C15)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.63715(7) 0.07361(4) 0.50498(5) 0.1064(3) Uani 1 1 d . . . . .
Ag2 Ag 0.31836(8) 0.11362(5) 0.51054(7) 0.1252(4) Uani 1 1 d . . . . .
Ag3 Ag 0.52494(7) 0.05791(4) 0.62362(4) 0.0979(3) Uani 1 1 d . . . . .
Ag4 Ag 0.67725(7) -0.02381(4) 0.61290(5) 0.1061(3) Uani 1 1 d . . . . .
Ag5 Ag 0.54721(12) -0.12951(5) 0.64043(6) 0.1485(5) Uani 1 1 d . . . . .
Ag6 Ag 0.36970(9) -0.02469(7) 0.66541(6) 0.1465(5) Uani 1 1 d . . . . .
S1 S 0.5560(2) -0.03307(11) 0.69031(13) 0.0906(6) Uani 1 1 d . . . . .
S2 S 0.4969(2) 0.12904(11) 0.51547(15) 0.0947(7) Uani 1 1 d . . . . .
S3 S 0.7144(2) -0.01257(13) 0.47844(16) 0.0967(7) Uani 1 1 d . . . . .
F1 F 0.7642(18) 0.2338(8) 0.3743(17) 0.167(6) Uani 0.5 1 d D U P A 1
F2 F 0.8247(19) 0.1792(13) 0.3291(10) 0.156(6) Uani 0.5 1 d D U P A 2
F3 F 0.8780(18) 0.2140(10) 0.4763(12) 0.163(6) Uani 0.5 1 d D U P A 1
F4 F 0.582(2) 0.1182(8) 0.9173(11) 0.203(7) Uani 0.6 1 d D U P B 1
F5 F 0.9796(16) -0.1141(9) 0.8127(13) 0.172(6) Uani 0.5 1 d D U P C 2
F6 F 0.4968(17) 0.1877(10) 0.8562(13) 0.189(6) Uani 0.6 1 d D U P B 1
F7 F 0.6393(19) 0.1940(9) 0.8781(13) 0.201(6) Uani 0.6 1 d D U P B 1
F8 F 0.9499(18) -0.1952(7) 0.7335(17) 0.170(6) Uani 0.5 1 d D U P C 1
F9 F 0.9059(18) -0.1920(9) 0.7717(17) 0.178(6) Uani 0.5 1 d D U P C 2
F10 F 0.9159(19) -0.1466(12) 0.8211(11) 0.177(6) Uani 0.5 1 d D U P C 1
F11 F 1.0150(10) -0.1215(10) 0.7470(16) 0.165(5) Uani 0.5 1 d D U P C 1
F12 F 0.9840(18) -0.1694(13) 0.7073(15) 0.179(6) Uani 0.5 1 d D U P C 2
F13 F 0.4872(18) 0.1572(16) 0.8754(19) 0.183(7) Uani 0.4 1 d D U P B 2
F14 F 0.596(3) 0.2056(10) 0.845(2) 0.197(8) Uani 0.4 1 d D U P B 2
F15 F 0.639(3) 0.1381(14) 0.9268(14) 0.194(8) Uani 0.4 1 d D U P B 2
F16 F 0.9120(13) 0.1837(12) 0.4618(15) 0.181(6) Uani 0.5 1 d D U P A 2
F17 F 0.8724(19) 0.1760(15) 0.3556(15) 0.168(6) Uani 0.5 1 d D U P A 1
F18 F 0.8060(19) 0.2434(6) 0.4033(17) 0.163(6) Uani 0.5 1 d D U P A 2
O1 O 0.6833(11) 0.1333(5) 0.3571(6) 0.154(4) Uani 1 1 d . . . . .
O2 O 0.7554(7) 0.1377(4) 0.4936(5) 0.119(2) Uani 1 1 d . . . . .
O3 O 0.6307(11) 0.1226(5) 0.7542(8) 0.164(3) Uani 1 1 d . U . . .
O4 O 0.4849(10) 0.1034(5) 0.7453(7) 0.147(3) Uani 1 1 d . U . . .
O5 O 0.8267(7) -0.0669(5) 0.7003(6) 0.129(3) Uani 1 1 d . . . . .
O6 O 0.7911(10) -0.1427(4) 0.6280(7) 0.145(4) Uani 1 1 d . . . . .
N1 N 0.5866(9) -0.2031(4) 0.7175(6) 0.107(3) Uani 1 1 d . . . . .
N2 N 0.3238(10) -0.0198(6) 0.7786(7) 0.130(3) Uani 1 1 d . U . . .
N3 N 0.2597(8) 0.1804(4) 0.5744(6) 0.109(3) Uani 1 1 d . . . . .
C1 C 0.8878(8) -0.0238(5) 0.4399(7) 0.100(3) Uani 1 1 d . . . . .
C2 C 0.8963(10) 0.0052(7) 0.3757(8) 0.119(4) Uani 1 1 d . . . . .
H2 H 0.8814 0.0425 0.3728 0.143 Uiso 1 1 calc R . . . .
C3 C 0.8487(9) -0.0002(6) 0.5049(7) 0.107(3) Uani 1 1 d . . . . .
H3A H 0.8615 0.0390 0.5094 0.128 Uiso 1 1 calc R . . . .
H3B H 0.8831 -0.0168 0.5585 0.128 Uiso 1 1 calc R . . . .
C4 C 0.6286(14) -0.0192(6) 0.8018(7) 0.130(5) Uani 1 1 d . . . . .
H4A H 0.6955 -0.0080 0.8050 0.156 Uiso 1 1 calc R . . . .
H4B H 0.5978 0.0111 0.8217 0.156 Uiso 1 1 calc R . . . .
C5 C 0.9157(11) -0.0778(7) 0.4487(10) 0.130(4) Uani 1 1 d . . . . .
H5 H 0.9106 -0.0978 0.4940 0.156 Uiso 1 1 calc R . . . .
C6 C 0.5191(12) 0.2428(6) 0.5169(10) 0.138(4) Uani 1 1 d D U . . .
C7 C 0.9540(15) -0.0706(9) 0.3242(12) 0.154(6) Uani 1 1 d . U . . .
H7 H 0.9767 -0.0872 0.2840 0.185 Uiso 1 1 calc R . . . .
C8 C 0.5500(12) 0.1934(6) 0.5699(9) 0.127(4) Uani 1 1 d . . . . .
H8A H 0.5294 0.1974 0.6192 0.153 Uiso 1 1 calc R . . . .
H8B H 0.6221 0.1909 0.5882 0.153 Uiso 1 1 calc R . . . .
C9 C 0.9516(15) -0.1025(9) 0.3906(14) 0.166(6) Uani 1 1 d . U . . .
H9 H 0.9729 -0.1388 0.3960 0.199 Uiso 1 1 calc R . . . .
C10 C 0.5653(8) -0.0812(5) 0.8936(6) 0.151(4) Uani 1 1 d . U . . .
H10 H 0.5072 -0.0609 0.8848 0.181 Uiso 1 1 calc R . . . .
C11 C 0.5825(10) -0.1273(6) 0.9446(7) 0.177(5) Uani 1 1 d G U . . .
H11 H 0.5359 -0.1379 0.9701 0.212 Uiso 1 1 calc R . . . .
C12 C 0.6693(12) -0.1576(4) 0.9577(7) 0.186(5) Uani 1 1 d G U . . .
H12 H 0.6808 -0.1885 0.9919 0.223 Uiso 1 1 calc R . . . .
C13 C 0.7390(10) -0.1417(5) 0.9198(8) 0.190(5) Uani 1 1 d G U . . .
H13 H 0.7971 -0.1620 0.9285 0.228 Uiso 1 1 calc R . . . .
C14 C 0.7218(8) -0.0956(6) 0.8687(7) 0.165(4) Uani 1 1 d G U . . .
H14 H 0.7684 -0.0850 0.8433 0.198 Uiso 1 1 calc R . . . .
C15 C 0.6349(8) -0.0653(4) 0.8556(5) 0.123(3) Uani 1 1 d G U . . .
C16 C 0.5747(15) 0.2586(7) 0.4679(10) 0.163(4) Uani 1 1 d D U . . .
H16 H 0.6304 0.2382 0.4685 0.196 Uiso 1 1 calc R . . . .
C17 C 0.6654(12) -0.2322(7) 0.7208(8) 0.120(4) Uani 1 1 d . . . . .
H17 H 0.7033 -0.2212 0.6875 0.144 Uiso 1 1 calc R . . . .
C18 C 0.5352(15) -0.2189(7) 0.7646(9) 0.145(5) Uani 1 1 d . . . . .
H18 H 0.4792 -0.1989 0.7645 0.174 Uiso 1 1 calc R . . . .
C19 C 0.5620(19) -0.2663(8) 0.8165(12) 0.168(7) Uani 1 1 d . . . . .
H19 H 0.5237 -0.2765 0.8498 0.202 Uiso 1 1 calc R . . . .
C20 C 0.9271(13) -0.0188(8) 0.3120(11) 0.140(5) Uani 1 1 d . U . . .
H20 H 0.9283 0.0005 0.2648 0.167 Uiso 1 1 calc R . . . .
C21 C 0.4138(18) 0.3186(8) 0.4665(13) 0.187(5) Uani 1 1 d D U . . .
H21 H 0.3596 0.3399 0.4674 0.225 Uiso 1 1 calc R . . . .
C22 C 0.4674(16) 0.3333(9) 0.4157(14) 0.189(5) Uani 1 1 d D U . . .
H22 H 0.4479 0.3632 0.3798 0.226 Uiso 1 1 calc R . . . .
C23 C 0.4379(13) 0.2730(7) 0.5163(12) 0.163(4) Uani 1 1 d D U . . .
H23 H 0.3992 0.2628 0.5493 0.195 Uiso 1 1 calc R . . . .
C24 C 0.5496(16) 0.3038(7) 0.4182(13) 0.183(5) Uani 1 1 d D U . . .
H24 H 0.5889 0.3144 0.3859 0.220 Uiso 1 1 calc R . . . .
C25 C 0.7451(11) 0.1497(5) 0.4198(8) 0.109(3) Uani 1 1 d . . . . .
C26 C 0.6962(14) -0.2778(7) 0.7701(9) 0.146(6) Uani 1 1 d . . . . .
H26 H 0.7540 -0.2965 0.7711 0.175 Uiso 1 1 calc R . . . .
C27 C 0.6388(16) -0.2952(8) 0.8178(10) 0.147(6) Uani 1 1 d . . . . .
H27 H 0.6552 -0.3268 0.8501 0.176 Uiso 1 1 calc R . . . .
C28 C 0.8187(12) 0.1882(6) 0.4067(7) 0.150(4) Uani 1 1 d D U . . .
C29 C 0.2895(14) -0.0655(9) 0.8045(10) 0.149(4) Uani 1 1 d . U . . .
H29 H 0.2850 -0.0972 0.7728 0.179 Uiso 1 1 calc R . . . .
C30 C 0.1901(12) 0.2147(6) 0.5331(9) 0.125(4) Uani 1 1 d . . . . .
H30 H 0.1604 0.2104 0.4759 0.151 Uiso 1 1 calc R . . . .
C31 C 0.1608(17) 0.2568(8) 0.5738(12) 0.165(5) Uani 1 1 d . U . . .
H31 H 0.1136 0.2819 0.5435 0.199 Uiso 1 1 calc R . . . .
C32 C 0.2929(17) 0.1811(9) 0.6561(11) 0.168(5) Uani 1 1 d . U . . .
H32 H 0.3380 0.1547 0.6854 0.202 Uiso 1 1 calc R . . . .
C33 C 0.3238(16) 0.0246(9) 0.8205(11) 0.161(4) Uani 1 1 d . U . . .
H33 H 0.3435 0.0574 0.8022 0.193 Uiso 1 1 calc R . . . .
C34 C 0.2608(18) -0.0685(10) 0.8743(11) 0.171(4) Uani 1 1 d . U . . .
H34 H 0.2407 -0.1014 0.8918 0.205 Uiso 1 1 calc R . . . .
C35 C 0.1998(17) 0.2621(8) 0.6573(13) 0.170(5) Uani 1 1 d . U . . .
H35 H 0.1855 0.2928 0.6844 0.204 Uiso 1 1 calc R . . . .
C36 C 0.2629(19) -0.0222(10) 0.9160(12) 0.176(5) Uani 1 1 d . U . . .
H36 H 0.2413 -0.0229 0.9626 0.212 Uiso 1 1 calc R . . . .
C37 C 0.2944(18) 0.0248(10) 0.8945(13) 0.180(5) Uani 1 1 d . U . . .
H37 H 0.2973 0.0566 0.9258 0.215 Uiso 1 1 calc R . . . .
C38 C 0.2586(18) 0.2231(9) 0.6996(12) 0.179(5) Uani 1 1 d . U . . .
H38 H 0.2779 0.2228 0.7577 0.215 Uiso 1 1 calc R . . . .
C39 C 0.8416(9) -0.1160(6) 0.6849(8) 0.102(3) Uani 1 1 d . . . . .
C40 C 0.5631(17) 0.1236(7) 0.7778(11) 0.141(3) Uani 1 1 d . U . . .
C41 C 0.9275(12) -0.1430(6) 0.7454(10) 0.156(4) Uani 1 1 d D U . . .
C42 C 0.5714(12) 0.1550(7) 0.8581(10) 0.179(5) Uani 1 1 d D U . . .
O7 O 0.916(2) 0.0168(10) 0.8152(13) 0.154(8) Uani 0.5 1 d D . P . .
H7A H 0.9162 -0.0138 0.7940 0.232 Uiso 0.5 1 d R . P . .
C43 C 0.949(4) 0.009(2) 0.9031(15) 0.208(19) Uani 0.5 1 d D U P . .
H43A H 0.9463 0.0438 0.9299 0.312 Uiso 0.5 1 calc R . P . .
H43B H 1.0156 -0.0043 0.9208 0.312 Uiso 0.5 1 calc R . P . .
H43C H 0.9058 -0.0165 0.9179 0.312 Uiso 0.5 1 calc R . P . .
O8 O 0.7698(11) 0.0706(5) 0.6926(8) 0.168(4) Uani 1 1 d . U . . .
H8C H 0.8058 0.0430 0.7136 0.252 Uiso 1 1 d R . . . .
H8D H 0.7277 0.0768 0.7212 0.252 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag3 2.9482(11) . ?
Ag1 Ag4 2.9354(12) . ?
Ag1 Ag5 3.2600(15) 3_656 ?
Ag1 Ag6 3.0864(15) 3_656 ?
Ag1 S2 2.453(3) . ?
Ag1 S3 2.473(3) . ?
Ag1 O2 2.341(9) . ?
Ag2 Ag3 3.2396(14) . ?
Ag2 Ag4 3.0353(14) 3_656 ?
Ag2 S2 2.529(3) . ?
Ag2 S3 2.522(3) 3_656 ?
Ag2 O6 2.465(10) 3_656 ?
Ag2 N3 2.251(10) . ?
Ag3 Ag4 2.9812(12) . ?
Ag3 Ag6 3.2177(16) . ?
Ag3 S1 2.461(3) . ?
Ag3 S2 2.456(3) . ?
Ag3 O4 2.550(11) . ?
Ag4 Ag2 3.0353(14) 3_656 ?
Ag4 Ag5 3.2821(16) . ?
Ag4 S1 2.474(3) . ?
Ag4 S3 2.502(3) . ?
Ag4 O5 2.403(10) . ?
Ag5 Ag1 3.2600(15) 3_656 ?
Ag5 S1 2.485(3) . ?
Ag5 S2 2.505(3) 3_656 ?
Ag5 N1 2.182(9) . ?
Ag6 Ag1 3.0863(15) 3_656 ?
Ag6 S1 2.543(3) . ?
Ag6 S3 2.511(3) 3_656 ?
Ag6 N2 2.207(10) . ?
S1 C4 1.867(12) . ?
S2 Ag5 2.505(3) 3_656 ?
S2 C8 1.852(14) . ?
S3 Ag2 2.522(3) 3_656 ?
S3 Ag6 2.511(3) 3_656 ?
S3 C3 1.834(12) . ?
F1 C28 1.364(11) . ?
F2 C28 1.357(11) . ?
F3 C28 1.362(11) . ?
F4 C42 1.316(11) . ?
F5 C41 1.341(11) . ?
F6 C42 1.314(11) . ?
F7 C42 1.316(11) . ?
F8 C41 1.341(12) . ?
F9 C41 1.341(12) . ?
F10 C41 1.342(12) . ?
F11 C41 1.336(11) . ?
F12 C41 1.339(12) . ?
F13 C42 1.315(12) . ?
F14 C42 1.318(12) . ?
F15 C42 1.313(12) . ?
F16 C28 1.357(11) . ?
F17 C28 1.350(11) . ?
F18 C28 1.355(11) . ?
O1 C25 1.208(16) . ?
O2 C25 1.241(14) . ?
O3 C40 1.15(2) . ?
O4 C40 1.18(2) . ?
O5 C39 1.254(16) . ?
O6 Ag2 2.465(10) 3_656 ?
O6 C39 1.192(16) . ?
N1 C17 1.308(19) . ?
N1 C18 1.294(19) . ?
N2 C29 1.34(2) . ?
N2 C33 1.29(2) . ?
N3 C30 1.310(17) . ?
N3 C32 1.309(19) . ?
C1 C2 1.331(18) . ?
C1 C3 1.491(16) . ?
C1 C5 1.37(2) . ?
C2 H2 0.9300 . ?
C2 C20 1.41(2) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C15 1.429(15) . ?
C5 H5 0.9300 . ?
C5 C9 1.38(2) . ?
C6 C8 1.48(2) . ?
C6 C16 1.365(10) . ?
C6 C23 1.361(10) . ?
C7 H7 0.9300 . ?
C7 C9 1.37(3) . ?
C7 C20 1.32(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C11 H11 0.9300 . ?
C11 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C13 1.3900 . ?
C13 H13 0.9300 . ?
C13 C14 1.3900 . ?
C14 H14 0.9300 . ?
C14 C15 1.3900 . ?
C16 H16 0.9300 . ?
C16 C24 1.361(10) . ?
C17 H17 0.9300 . ?
C17 C26 1.37(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.43(2) . ?
C19 H19 0.9300 . ?
C19 C27 1.29(3) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C21 C22 1.360(10) . ?
C21 C23 1.368(10) . ?
C22 H22 0.9300 . ?
C22 C24 1.358(11) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C28 1.47(2) . ?
C26 H26 0.9300 . ?
C26 C27 1.38(3) . ?
C27 H27 0.9300 . ?
C29 H29 0.9300 . ?
C29 C34 1.37(2) . ?
C30 H30 0.9300 . ?
C30 C31 1.37(2) . ?
C31 H31 0.9300 . ?
C31 C35 1.35(3) . ?
C32 H32 0.9300 . ?
C32 C38 1.43(3) . ?
C33 H33 0.9300 . ?
C33 C37 1.44(3) . ?
C34 H34 0.9300 . ?
C34 C36 1.32(3) . ?
C35 H35 0.9300 . ?
C35 C38 1.32(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.32(3) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C41 1.47(2) . ?
C40 C42 1.53(3) . ?
O7 H7A 0.8280 . ?
O7 C43 1.418(10) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
O8 H8C 0.8502 . ?
O8 H8D 0.8893 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag3 Ag1 Ag5 95.21(4) . 3_656 ?
Ag3 Ag1 Ag6 135.91(5) . 3_656 ?
Ag4 Ag1 Ag3 60.89(3) . . ?
Ag4 Ag1 Ag5 139.12(5) . 3_656 ?
Ag4 Ag1 Ag6 102.07(4) . 3_656 ?
Ag6 Ag1 Ag5 71.23(4) 3_656 3_656 ?
S2 Ag1 Ag3 53.14(6) . . ?
S2 Ag1 Ag4 113.70(7) . . ?
S2 Ag1 Ag5 49.58(6) . 3_656 ?
S2 Ag1 Ag6 119.51(7) . 3_656 ?
S2 Ag1 S3 153.49(11) . . ?
S3 Ag1 Ag3 112.17(7) . . ?
S3 Ag1 Ag4 54.30(6) . . ?
S3 Ag1 Ag5 120.83(7) . 3_656 ?
S3 Ag1 Ag6 52.30(7) . 3_656 ?
O2 Ag1 Ag3 134.0(2) . . ?
O2 Ag1 Ag4 126.0(2) . . ?
O2 Ag1 Ag5 94.7(2) . 3_656 ?
O2 Ag1 Ag6 89.6(2) . 3_656 ?
O2 Ag1 S2 104.8(3) . . ?
O2 Ag1 S3 100.5(3) . . ?
Ag4 Ag2 Ag3 83.78(3) 3_656 . ?
S2 Ag2 Ag3 48.50(6) . . ?
S2 Ag2 Ag4 83.81(7) . 3_656 ?
S3 Ag2 Ag3 72.58(7) 3_656 . ?
S3 Ag2 Ag4 52.53(6) 3_656 3_656 ?
S3 Ag2 S2 110.35(10) 3_656 . ?
O6 Ag2 Ag3 149.1(3) 3_656 . ?
O6 Ag2 Ag4 72.5(3) 3_656 3_656 ?
O6 Ag2 S2 108.0(3) 3_656 . ?
O6 Ag2 S3 106.0(3) 3_656 3_656 ?
N3 Ag2 Ag3 114.9(3) . . ?
N3 Ag2 Ag4 160.2(3) . 3_656 ?
N3 Ag2 S2 113.1(3) . . ?
N3 Ag2 S3 124.5(3) . 3_656 ?
N3 Ag2 O6 91.8(4) . 3_656 ?
Ag1 Ag3 Ag2 97.19(3) . . ?
Ag1 Ag3 Ag4 59.34(3) . . ?
Ag1 Ag3 Ag6 141.44(4) . . ?
Ag4 Ag3 Ag2 141.14(4) . . ?
Ag4 Ag3 Ag6 98.78(4) . . ?
Ag6 Ag3 Ag2 80.78(4) . . ?
S1 Ag3 Ag1 111.76(7) . . ?
S1 Ag3 Ag2 130.07(8) . . ?
S1 Ag3 Ag4 53.04(7) . . ?
S1 Ag3 Ag6 51.11(7) . . ?
S1 Ag3 O4 94.3(3) . . ?
S2 Ag3 Ag1 53.04(7) . . ?
S2 Ag3 Ag2 50.46(7) . . ?
S2 Ag3 Ag4 112.07(7) . . ?
S2 Ag3 Ag6 130.02(8) . . ?
S2 Ag3 S1 159.79(9) . . ?
S2 Ag3 O4 105.5(3) . . ?
O4 Ag3 Ag1 142.7(3) . . ?
O4 Ag3 Ag2 84.5(3) . . ?
O4 Ag3 Ag4 133.5(3) . . ?
O4 Ag3 Ag6 75.7(3) . . ?
Ag1 Ag4 Ag2 101.45(4) . 3_656 ?
Ag1 Ag4 Ag3 59.77(3) . . ?
Ag1 Ag4 Ag5 135.66(4) . . ?
Ag2 Ag4 Ag5 70.50(4) 3_656 . ?
Ag3 Ag4 Ag2 134.05(4) . 3_656 ?
Ag3 Ag4 Ag5 93.82(4) . . ?
S1 Ag4 Ag1 111.80(7) . . ?
S1 Ag4 Ag2 117.73(8) . 3_656 ?
S1 Ag4 Ag3 52.64(6) . . ?
S1 Ag4 Ag5 48.71(7) . . ?
S1 Ag4 S3 150.38(10) . . ?
S3 Ag4 Ag1 53.37(7) . . ?
S3 Ag4 Ag2 53.14(8) . 3_656 ?
S3 Ag4 Ag3 110.23(7) . . ?
S3 Ag4 Ag5 120.18(8) . . ?
O5 Ag4 Ag1 133.9(3) . . ?
O5 Ag4 Ag2 84.3(3) . 3_656 ?
O5 Ag4 Ag3 140.1(3) . . ?
O5 Ag4 Ag5 89.7(3) . . ?
O5 Ag4 S1 105.0(3) . . ?
O5 Ag4 S3 102.0(3) . . ?
Ag1 Ag5 Ag4 85.21(3) 3_656 . ?
S1 Ag5 Ag1 78.61(7) . 3_656 ?
S1 Ag5 Ag4 48.42(6) . . ?
S1 Ag5 S2 108.71(9) . 3_656 ?
S2 Ag5 Ag1 48.21(7) 3_656 3_656 ?
S2 Ag5 Ag4 79.16(7) 3_656 . ?
N1 Ag5 Ag1 141.7(3) . 3_656 ?
N1 Ag5 Ag4 132.9(3) . . ?
N1 Ag5 S1 126.8(3) . . ?
N1 Ag5 S2 124.2(3) . 3_656 ?
Ag1 Ag6 Ag3 81.90(3) 3_656 . ?
S1 Ag6 Ag1 81.25(6) . 3_656 ?
S1 Ag6 Ag3 48.88(6) . . ?
S3 Ag6 Ag1 51.18(7) 3_656 3_656 ?
S3 Ag6 Ag3 73.11(8) 3_656 . ?
S3 Ag6 S1 109.75(9) 3_656 . ?
N2 Ag6 Ag1 153.7(4) . 3_656 ?
N2 Ag6 Ag3 124.4(4) . . ?
N2 Ag6 S1 115.8(4) . . ?
N2 Ag6 S3 129.6(4) . 3_656 ?
Ag3 S1 Ag4 74.32(7) . . ?
Ag3 S1 Ag5 135.53(10) . . ?
Ag3 S1 Ag6 80.01(9) . . ?
Ag4 S1 Ag5 82.87(9) . . ?
Ag4 S1 Ag6 139.59(10) . . ?
Ag5 S1 Ag6 94.69(11) . . ?
C4 S1 Ag3 105.1(4) . . ?
C4 S1 Ag4 105.3(6) . . ?
C4 S1 Ag5 117.7(5) . . ?
C4 S1 Ag6 111.3(6) . . ?
Ag1 S2 Ag2 137.60(12) . . ?
Ag1 S2 Ag3 73.82(8) . . ?
Ag1 S2 Ag5 82.22(9) . 3_656 ?
Ag3 S2 Ag2 81.04(9) . . ?
Ag3 S2 Ag5 135.38(12) . 3_656 ?
Ag5 S2 Ag2 93.00(10) 3_656 . ?
C8 S2 Ag1 106.9(5) . . ?
C8 S2 Ag2 112.7(6) . . ?
C8 S2 Ag3 106.5(4) . . ?
C8 S2 Ag5 116.4(5) . 3_656 ?
Ag1 S3 Ag2 135.46(12) . 3_656 ?
Ag1 S3 Ag4 72.32(8) . . ?
Ag1 S3 Ag6 76.53(9) . 3_656 ?
Ag4 S3 Ag2 74.33(8) . 3_656 ?
Ag4 S3 Ag6 138.18(12) . 3_656 ?
Ag6 S3 Ag2 112.46(12) 3_656 3_656 ?
C3 S3 Ag1 107.5(4) . . ?
C3 S3 Ag2 110.1(5) . 3_656 ?
C3 S3 Ag4 107.3(4) . . ?
C3 S3 Ag6 108.3(4) . 3_656 ?
C25 O2 Ag1 112.3(9) . . ?
C40 O4 Ag3 98.1(12) . . ?
C39 O5 Ag4 117.5(8) . . ?
C39 O6 Ag2 130.1(10) . 3_656 ?
C17 N1 Ag5 121.5(9) . . ?
C18 N1 Ag5 121.6(11) . . ?
C18 N1 C17 116.8(12) . . ?
C29 N2 Ag6 118.3(11) . . ?
C33 N2 Ag6 124.7(13) . . ?
C33 N2 C29 117.0(14) . . ?
C30 N3 Ag2 122.4(9) . . ?
C32 N3 Ag2 116.7(11) . . ?
C32 N3 C30 120.7(13) . . ?
C2 C1 C3 123.0(13) . . ?
C2 C1 C5 120.1(13) . . ?
C5 C1 C3 116.9(12) . . ?
C1 C2 H2 119.0 . . ?
C1 C2 C20 122.0(16) . . ?
C20 C2 H2 119.0 . . ?
S3 C3 H3A 109.5 . . ?
S3 C3 H3B 109.5 . . ?
C1 C3 S3 110.8(8) . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
S1 C4 H4A 108.8 . . ?
S1 C4 H4B 108.8 . . ?
H4A C4 H4B 107.7 . . ?
C15 C4 S1 113.8(9) . . ?
C15 C4 H4A 108.8 . . ?
C15 C4 H4B 108.8 . . ?
C1 C5 H5 119.9 . . ?
C1 C5 C9 120.2(17) . . ?
C9 C5 H5 119.9 . . ?
C16 C6 C8 118.5(14) . . ?
C23 C6 C8 122.1(14) . . ?
C23 C6 C16 119.3(17) . . ?
C9 C7 H7 116.9 . . ?
C20 C7 H7 116.9 . . ?
C20 C7 C9 126.1(19) . . ?
S2 C8 H8A 108.9 . . ?
S2 C8 H8B 108.9 . . ?
C6 C8 S2 113.2(10) . . ?
C6 C8 H8A 108.9 . . ?
C6 C8 H8B 108.9 . . ?
H8A C8 H8B 107.8 . . ?
C5 C9 H9 121.8 . . ?
C7 C9 C5 116(2) . . ?
C7 C9 H9 121.8 . . ?
C11 C10 H10 120.0 . . ?
C11 C10 C15 120.0 . . ?
C15 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C10 C15 C4 126.9(11) . . ?
C14 C15 C4 113.1(11) . . ?
C14 C15 C10 120.0 . . ?
C6 C16 H16 119.5 . . ?
C24 C16 C6 121.0(19) . . ?
C24 C16 H16 119.5 . . ?
N1 C17 H17 117.8 . . ?
N1 C17 C26 124.5(14) . . ?
C26 C17 H17 117.8 . . ?
N1 C18 H18 119.1 . . ?
N1 C18 C19 121.7(17) . . ?
C19 C18 H18 119.1 . . ?
C18 C19 H19 119.6 . . ?
C27 C19 C18 120.7(17) . . ?
C27 C19 H19 119.6 . . ?
C2 C20 H20 122.5 . . ?
C7 C20 C2 115.1(17) . . ?
C7 C20 H20 122.5 . . ?
C22 C21 H21 119.3 . . ?
C22 C21 C23 121(2) . . ?
C23 C21 H21 119.3 . . ?
C21 C22 H22 120.6 . . ?
C24 C22 C21 119(2) . . ?
C24 C22 H22 120.6 . . ?
C6 C23 C21 119.2(19) . . ?
C6 C23 H23 120.4 . . ?
C21 C23 H23 120.4 . . ?
C16 C24 H24 120.0 . . ?
C22 C24 C16 120(2) . . ?
C22 C24 H24 120.0 . . ?
O1 C25 O2 128.6(14) . . ?
O1 C25 C28 115.5(11) . . ?
O2 C25 C28 115.9(12) . . ?
C17 C26 H26 121.0 . . ?
C17 C26 C27 118.0(16) . . ?
C27 C26 H26 121.0 . . ?
C19 C27 C26 118.2(15) . . ?
C19 C27 H27 120.9 . . ?
C26 C27 H27 120.9 . . ?
F1 C28 C25 104.1(16) . . ?
F2 C28 C25 107.8(15) . . ?
F3 C28 F1 94.9(19) . . ?
F3 C28 C25 115.9(13) . . ?
F16 C28 F2 108(2) . . ?
F16 C28 C25 115.2(16) . . ?
F17 C28 F1 106(2) . . ?
F17 C28 F3 110(2) . . ?
F17 C28 C25 121.6(19) . . ?
F18 C28 F2 100(2) . . ?
F18 C28 F16 101(2) . . ?
F18 C28 C25 123.3(16) . . ?
N2 C29 H29 117.9 . . ?
N2 C29 C34 124.3(19) . . ?
C34 C29 H29 117.9 . . ?
N3 C30 H30 119.8 . . ?
N3 C30 C31 120.4(15) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.7 . . ?
C35 C31 C30 120.5(19) . . ?
C35 C31 H31 119.7 . . ?
N3 C32 H32 120.5 . . ?
N3 C32 C38 118.9(18) . . ?
C38 C32 H32 120.5 . . ?
N2 C33 H33 119.1 . . ?
N2 C33 C37 122(2) . . ?
C37 C33 H33 119.1 . . ?
C29 C34 H34 121.6 . . ?
C36 C34 C29 117(2) . . ?
C36 C34 H34 121.6 . . ?
C31 C35 H35 120.8 . . ?
C38 C35 C31 118.5(17) . . ?
C38 C35 H35 120.8 . . ?
C34 C36 H36 118.5 . . ?
C37 C36 C34 123(2) . . ?
C37 C36 H36 118.5 . . ?
C33 C37 H37 121.6 . . ?
C36 C37 C33 117(2) . . ?
C36 C37 H37 121.6 . . ?
C32 C38 H38 120.1 . . ?
C35 C38 C32 119.8(19) . . ?
C35 C38 H38 120.1 . . ?
O5 C39 C41 116.0(12) . . ?
O6 C39 O5 126.1(13) . . ?
O6 C39 C41 117.9(13) . . ?
O3 C40 O4 126.4(19) . . ?
O3 C40 C42 119(2) . . ?
O4 C40 C42 114.9(18) . . ?
F5 C41 F9 108.0(19) . . ?
F5 C41 C39 117.7(14) . . ?
F8 C41 F10 101(2) . . ?
F8 C41 C39 120.2(16) . . ?
F9 C41 C39 113.7(15) . . ?
F10 C41 C39 111.5(14) . . ?
F11 C41 F8 96.5(18) . . ?
F11 C41 F10 113.5(19) . . ?
F11 C41 C39 113.3(14) . . ?
F12 C41 F5 114.1(19) . . ?
F12 C41 F9 87.9(19) . . ?
F12 C41 C39 111.7(16) . . ?
F4 C42 F7 113.4(19) . . ?
F4 C42 C40 106.8(16) . . ?
F6 C42 F4 109(2) . . ?
F6 C42 F7 95(2) . . ?
F6 C42 C40 116.4(16) . . ?
F7 C42 C40 115.7(17) . . ?
F13 C42 F14 108(3) . . ?
F13 C42 C40 113(2) . . ?
F14 C42 C40 106(2) . . ?
F15 C42 F13 106(3) . . ?
F15 C42 F14 106(3) . . ?
F15 C42 C40 117(2) . . ?
C43 O7 H7A 107.0 . . ?
O7 C43 H43A 109.5 . . ?
O7 C43 H43B 109.5 . . ?
O7 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
H8C O8 H8D 108.8 . . ?

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 S2 C8 C6 115.7(11) . . . . ?
Ag1 S3 C3 C1 -136.1(9) . . . . ?
Ag1 O2 C25 O1 1.1(19) . . . . ?
Ag1 O2 C25 C28 -177.8(9) . . . . ?
Ag2 S2 C8 C6 -79.6(12) . . . . ?
Ag2 S3 C3 C1 68.4(10) 3_656 . . . ?
Ag2 O6 C39 O5 27(2) 3_656 . . . ?
Ag2 O6 C39 C41 -156.0(10) 3_656 . . . ?
Ag2 N3 C30 C31 -176.1(13) . . . . ?
Ag2 N3 C32 C38 179.4(17) . . . . ?
Ag3 S1 C4 C15 166.5(11) . . . . ?
Ag3 S2 C8 C6 -166.7(10) . . . . ?
Ag3 O4 C40 O3 3(2) . . . . ?
Ag3 O4 C40 C42 -178.6(12) . . . . ?
Ag4 S1 C4 C15 -116.0(12) . . . . ?
Ag4 S3 C3 C1 147.5(9) . . . . ?
Ag4 O5 C39 O6 4.2(18) . . . . ?
Ag4 O5 C39 C41 -173.1(8) . . . . ?
Ag5 S1 C4 C15 -26.1(15) . . . . ?
Ag5 S2 C8 C6 26.1(14) 3_656 . . . ?
Ag5 N1 C17 C26 177.8(11) . . . . ?
Ag5 N1 C18 C19 -178.5(14) . . . . ?
Ag6 S1 C4 C15 81.6(13) . . . . ?
Ag6 S3 C3 C1 -54.9(10) 3_656 . . . ?
Ag6 N2 C29 C34 178.5(16) . . . . ?
Ag6 N2 C33 C37 -179.1(15) . . . . ?
S1 C4 C15 C10 -84.4(13) . . . . ?
S1 C4 C15 C14 95.6(12) . . . . ?
O1 C25 C28 F1 66.6(19) . . . . ?
O1 C25 C28 F2 -25(2) . . . . ?
O1 C25 C28 F3 169.3(18) . . . . ?
O1 C25 C28 F16 -144.8(19) . . . . ?
O1 C25 C28 F17 -53(2) . . . . ?
O1 C25 C28 F18 90(2) . . . . ?
O2 C25 C28 F1 -114.3(17) . . . . ?
O2 C25 C28 F2 154.5(18) . . . . ?
O2 C25 C28 F3 -12(2) . . . . ?
O2 C25 C28 F16 34(2) . . . . ?
O2 C25 C28 F17 126(2) . . . . ?
O2 C25 C28 F18 -91(2) . . . . ?
O3 C40 C42 F4 -104(2) . . . . ?
O3 C40 C42 F6 134(2) . . . . ?
O3 C40 C42 F7 23(3) . . . . ?
O3 C40 C42 F13 175(2) . . . . ?
O3 C40 C42 F14 57(3) . . . . ?
O3 C40 C42 F15 -62(3) . . . . ?
O4 C40 C42 F4 78(2) . . . . ?
O4 C40 C42 F6 -45(3) . . . . ?
O4 C40 C42 F7 -155(2) . . . . ?
O4 C40 C42 F13 -4(3) . . . . ?
O4 C40 C42 F14 -122(3) . . . . ?
O4 C40 C42 F15 120(3) . . . . ?
O5 C39 C41 F5 3(2) . . . . ?
O5 C39 C41 F8 -179.2(19) . . . . ?
O5 C39 C41 F9 130(2) . . . . ?
O5 C39 C41 F10 63(2) . . . . ?
O5 C39 C41 F11 -66.1(19) . . . . ?
O5 C39 C41 F12 -132(2) . . . . ?
O6 C39 C41 F5 -175.0(19) . . . . ?
O6 C39 C41 F8 3(2) . . . . ?
O6 C39 C41 F9 -47(2) . . . . ?
O6 C39 C41 F10 -114(2) . . . . ?
O6 C39 C41 F11 116.4(19) . . . . ?
O6 C39 C41 F12 50(2) . . . . ?
N1 C17 C26 C27 2(2) . . . . ?
N1 C18 C19 C27 0(3) . . . . ?
N2 C29 C34 C36 3(3) . . . . ?
N2 C33 C37 C36 -3(3) . . . . ?
N3 C30 C31 C35 -3(3) . . . . ?
N3 C32 C38 C35 -4(4) . . . . ?
C1 C2 C20 C7 -5(2) . . . . ?
C1 C5 C9 C7 -2(3) . . . . ?
C2 C1 C3 S3 93.7(14) . . . . ?
C2 C1 C5 C9 -1(2) . . . . ?
C3 C1 C2 C20 -175.7(13) . . . . ?
C3 C1 C5 C9 179.4(15) . . . . ?
C5 C1 C2 C20 5(2) . . . . ?
C5 C1 C3 S3 -86.6(13) . . . . ?
C6 C16 C24 C22 -1(3) . . . . ?
C8 C6 C16 C24 -179.9(16) . . . . ?
C8 C6 C23 C21 179.4(16) . . . . ?
C9 C7 C20 C2 2(3) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C10 C15 C4 -179.9(11) . . . . ?
C11 C10 C15 C14 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C4 180.0(10) . . . . ?
C13 C14 C15 C10 0.0 . . . . ?
C15 C10 C11 C12 0.0 . . . . ?
C16 C6 C8 S2 -88.0(18) . . . . ?
C16 C6 C23 C21 0(3) . . . . ?
C17 N1 C18 C19 -1(2) . . . . ?
C17 C26 C27 C19 -3(3) . . . . ?
C18 N1 C17 C26 0(2) . . . . ?
C18 C19 C27 C26 2(3) . . . . ?
C20 C7 C9 C5 1(3) . . . . ?
C21 C22 C24 C16 3(3) . . . . ?
C22 C21 C23 C6 2(3) . . . . ?
C23 C6 C8 S2 92.6(18) . . . . ?
C23 C6 C16 C24 0(3) . . . . ?
C23 C21 C22 C24 -4(4) . . . . ?
C29 N2 C33 C37 4(3) . . . . ?
C29 C34 C36 C37 -2(4) . . . . ?
C30 N3 C32 C38 -6(3) . . . . ?
C30 C31 C35 C38 -7(4) . . . . ?
C31 C35 C38 C32 10(4) . . . . ?
C32 N3 C30 C31 9(2) . . . . ?
C33 N2 C29 C34 -4(3) . . . . ?
C34 C36 C37 C33 2(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.715
_oxdiff_exptl_absorpt_empirical_full_min 0.359
# start Validation Reply Form
_vrf_PLAT342_nc_1                
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02472 Ang.  
RESPONSE: The structure contains bad disorder, which causes the low bond
precision on C-C bonds.
;
####################################################################### 
# 
# 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_nc_2
_database_code_depnum_ccdc_archive 'CCDC 1855159'
_audit_update_record             
;
2018-07-11 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;
_audit_creation_date             2018-04-16
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.07.14 svn.r3447 for OlexSys, GUI svn.r5367)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'1(C120 H96 Ag12 F18 N6 O12 S6), 2(H2 O), 6(C7 H8), 0.83(C6 H6), 0.17(C12 H18)'
_chemical_formula_sum            'C169 H156 Ag12 F18 N6 O14 S6'
_chemical_formula_weight         4323.70
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N S Ag'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   26.5261(6)
_cell_length_b                   26.5261(6)
_cell_length_c                   20.2721(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     12353.1(6)
_cell_formula_units_Z            3.00006
_cell_measurement_reflns_used    7917
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      72.1400
_cell_measurement_theta_min      2.9160
_shelx_estimated_absorpt_T_max   0.338
_shelx_estimated_absorpt_T_min   0.272
_exptl_absorpt_coefficient_mu    12.574
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6438
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13472
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.487
_diffrn_reflns_theta_min         2.907
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -11.00  30.00   0.50    1.20    --   45.50  19.00  60.00   82
  2  ω     18.00 120.00   0.50    1.20    --   45.50  57.00-120.00  204
  3  ω     13.00  58.00   0.50   11.33    --  100.10 -45.00-120.00   90
  4  ω     18.00  48.00   0.50   11.33    --  100.10 -30.00  60.00   60
  5  ω     73.00 141.00   0.50   11.33    --  100.10 -30.00  60.00  136
  6  ω     39.00  87.00   0.50   11.33    --  100.10 -77.00-150.00   96
  7  ω     95.00 138.00   0.50   11.33    --  100.10 -77.00-150.00   86
  8  ω     78.00 117.00   0.50   11.33    --  100.10 -45.00-120.00   78
  9  ω     12.00 131.00   0.50   11.33    --  100.10 -61.00  30.00  238
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0115097000
_diffrn_orient_matrix_UB_12      -0.0004121000
_diffrn_orient_matrix_UB_13      0.0744533000
_diffrn_orient_matrix_UB_21      -0.0325357000
_diffrn_orient_matrix_UB_22      0.0334609000
_diffrn_orient_matrix_UB_23      0.0135281000
_diffrn_orient_matrix_UB_31      -0.0574888000
_diffrn_orient_matrix_UB_32      -0.0580936000
_diffrn_orient_matrix_UB_33      0.0071979000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4644
_reflns_number_total             5273
_reflns_odcompleteness_completeness 99.39
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.858
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     418
_refine_ls_number_reflns         5273
_refine_ls_number_restraints     337
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0486
_refine_ls_restrained_S_all      1.065
_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)+(0.0953P)²+31.2683P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1384
_refine_ls_wR_factor_ref         0.1429
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Shared sites
{C28A, C28}
3. Restrained distances
 C26-C27
 1.53 with sigma of 0.01
 C26B-C27B
 1.53 with sigma of 0.01
 C29-C28
 1.53 with sigma of 0.01
 C21-C27 \\sim C27-C25
 with sigma of 0.01
 C21B-C27B \\sim C27B-C25B
 with sigma of 0.01
 C28_$1-C29 \\sim C29-C28_$2
 with sigma of 0.01
 F2B-C20 \\sim F1-C20 \\sim F1B-C20 \\sim F3-C20 \\sim F3B-C20 \\sim F2-C20
 with sigma of 0.01
4. Restrained planarity
 C22B, C21B, C26B, C25B, C27B, C24B, C23B
 with sigma of 0.01
5. Uiso/Uaniso restraints and constraints
C27 \\sim C23 \\sim C22 \\sim C24 \\sim C21 \\sim C25 \\sim C26: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C27B \\sim C22B \\sim C23B \\sim C21B \\sim C24B \\sim C26B \\sim C25B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C28 \\sim C29 \\sim C28A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
F3B \\sim F2 \\sim F2B \\sim F1 \\sim F1B \\sim F3: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C7) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C4) \\sim
Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C23) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C21)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C27) \\sim Ueq,
Uanis(C21B) \\sim Ueq, Uanis(C26B) \\sim Ueq, Uanis(C22B) \\sim Ueq,
Uanis(C25B) \\sim Ueq, Uanis(C27B) \\sim Ueq, Uanis(C23B) \\sim Ueq,
Uanis(C24B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C28A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(O1W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F1B) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F2B) \\sim Ueq, Uanis(F2)
\\sim Ueq, Uanis(F3B) \\sim Ueq, Uanis(F3) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C28A) = Uanis(C28)
6. Others
 Fixed Sof: F3B(0.5) F1B(0.5) F3(0.5) F1(0.5) F2(0.5) O1W(0.33333)
 H1Wa(0.33333) H1Wb(0.33333) F2B(0.5) C23(0.75) H23(0.75) C22(0.75) H22(0.75)
 C21(0.75) H21(0.75) C26(0.75) C25(0.75) H25(0.75) C24(0.75) H24(0.75)
 C27(0.75) H27a(0.75) H27b(0.75) H27c(0.75) C21B(0.25) H21B(0.25) C26B(0.25)
 C25B(0.25) H25B(0.25) C24B(0.25) H24B(0.25) C23B(0.25) H23B(0.25) C22B(0.25)
 H22B(0.25) C27B(0.25) H27d(0.25) H27e(0.25) H27f(0.25) C28(0.83333)
 H28(0.83333) C29(0.16667) H29a(0.16667) H29b(0.16667) H29c(0.16667)
 C28A(0.16667)
7.a Riding coordinates:
 O1W(H1Wa,H1Wb)
7.b Secondary CH2 refined with riding coordinates:
 C1(H1a,H1b)
7.c Me refined with riding coordinates:
 C27(H27a,H27b,H27c), C27B(H27d,H27e,H27f), C29(H29a,H29b,H29c)
7.d Aromatic/amide H refined with riding coordinates:
 C9(H9), C8(H8), C12(H12), C11(H11), C14(H14), C15(H15), C18(H18), C16(H16),
 C17(H17), C3(H3), C7(H7), C4(H4), C5(H5), C6(H6), C23(H23), C22(H22), C21(H21),
  C25(H25), C24(H24), C21B(H21B), C25B(H25B), C24B(H24B), C23B(H23B),
 C22B(H22B), C28(H28)
7.e Fitted hexagon refined as free rotating group:
 C23(C22,C21,C26,C25,C24), C21B(C26B,C25B,C24B,C23B,C22B)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag2 Ag 0.94971(2) 0.02148(2) 0.40892(2) 0.05548(14) Uani 1 1 d . . . . .
Ag1 Ag 0.96958(2) 0.13090(2) 0.50406(2) 0.07264(17) Uani 1 1 d . . . . .
S1 S 0.88129(4) -0.08360(5) 0.42674(5) 0.0508(2) Uani 1 1 d . . . . .
N1 N 0.91836(19) 0.17682(18) 0.5033(2) 0.0595(9) Uani 1 1 d . . . . .
C9 C 0.8354(2) 0.1822(2) 0.4668(3) 0.0651(12) Uani 1 1 d . . . . .
H9 H 0.8020 0.1665 0.4409 0.078 Uiso 1 1 calc R . . . .
C8 C 0.8694(3) 0.1565(2) 0.4677(3) 0.0661(12) Uani 1 1 d . . . . .
H8 H 0.8579 0.1233 0.4422 0.079 Uiso 1 1 calc R . . . .
C10 C 0.8509(2) 0.2315(2) 0.5045(2) 0.0576(10) Uani 1 1 d . . . . .
C12 C 0.9342(2) 0.2249(2) 0.5397(2) 0.0605(11) Uani 1 1 d . . . . .
H12 H 0.9681 0.2400 0.5646 0.073 Uiso 1 1 calc R . . . .
C11 C 0.9017(2) 0.2526(2) 0.5412(2) 0.0602(11) Uani 1 1 d . . . . .
H11 H 0.9141 0.2857 0.5670 0.072 Uiso 1 1 calc R . . . .
O2 O 0.90353(18) 0.04112(19) 0.3197(2) 0.0784(11) Uani 1 1 d . . . . .
C19 C 0.8591(2) 0.0407(2) 0.3402(3) 0.0644(12) Uani 1 1 d . . . . .
C13 C 0.8142(3) 0.2591(3) 0.5050(3) 0.0662(12) Uani 1 1 d . . . . .
C14 C 0.8401(3) 0.3198(3) 0.5129(3) 0.0798(16) Uani 1 1 d . . . . .
H14 H 0.8802 0.3427 0.5182 0.096 Uiso 1 1 calc R . . . .
C20 C 0.8283(3) 0.0560(3) 0.2906(3) 0.093(2) Uani 1 1 d D . . . .
C15 C 0.8050(5) 0.3453(4) 0.5127(4) 0.101(2) Uani 1 1 d . . . . .
H15 H 0.8220 0.3854 0.5167 0.121 Uiso 1 1 calc R . . . .
C18 C 0.7549(3) 0.2264(4) 0.5008(4) 0.095(2) Uani 1 1 d . . . . .
H18 H 0.7372 0.1862 0.4965 0.114 Uiso 1 1 calc R . . . .
C16 C 0.7465(5) 0.3120(5) 0.5068(6) 0.127(3) Uani 1 1 d . . . . .
H16 H 0.7236 0.3294 0.5053 0.152 Uiso 1 1 calc R . . . .
C17 C 0.7210(4) 0.2525(5) 0.5029(6) 0.128(3) Uani 1 1 d . . . . .
H17 H 0.6807 0.2296 0.5018 0.154 Uiso 1 1 calc R . . . .
O1 O 0.8388(2) 0.0298(2) 0.3966(2) 0.0826(11) Uani 1 1 d . . . . .
C1 C 0.8410(3) -0.1124(2) 0.3477(3) 0.0736(14) Uani 1 1 d . . . . .
H1A H 0.8300 -0.0852 0.3301 0.088 Uiso 1 1 calc R . . . .
H1B H 0.8660 -0.1163 0.3157 0.088 Uiso 1 1 calc R . . . .
F3B F 0.8168(10) 0.0970(8) 0.3103(8) 0.162(5) Uani 0.5 1 d D U P A 2
F1B F 0.8601(5) 0.0840(9) 0.2368(6) 0.139(4) Uani 0.5 1 d D U P A 2
F3 F 0.8583(6) 0.1124(4) 0.2739(10) 0.145(4) Uani 0.5 1 d D U P A 1
F1 F 0.8280(8) 0.0344(8) 0.2312(5) 0.155(4) Uani 0.5 1 d D U P A 1
F2 F 0.7814(5) 0.0574(8) 0.3135(7) 0.146(4) Uani 0.5 1 d D U P A 1
C2 C 0.7880(2) -0.1699(2) 0.3584(3) 0.0644(12) Uani 1 1 d . . . . .
C3 C 0.7926(3) -0.2196(3) 0.3514(3) 0.0769(15) Uani 1 1 d . . . . .
H3 H 0.8282 -0.2157 0.3393 0.092 Uiso 1 1 calc R . . . .
C7 C 0.7358(3) -0.1756(4) 0.3750(4) 0.102(2) Uani 1 1 d . U . . .
H7 H 0.7312 -0.1432 0.3783 0.122 Uiso 1 1 calc R . . . .
C4 C 0.7453(4) -0.2750(3) 0.3619(4) 0.096(2) Uani 1 1 d . U . . .
H4 H 0.7485 -0.3080 0.3558 0.115 Uiso 1 1 calc R . . . .
C5 C 0.6953(4) -0.2790(4) 0.3810(4) 0.110(2) Uani 1 1 d . U . . .
H5 H 0.6643 -0.3159 0.3904 0.132 Uiso 1 1 calc R . . . .
C6 C 0.6868(4) -0.2341(5) 0.3874(4) 0.114(3) Uani 1 1 d . U . . .
H6 H 0.6506 -0.2396 0.3996 0.137 Uiso 1 1 calc R . . . .
O1W O 1.015(3) -0.001(3) 0.2768(12) 0.195(16) Uani 0.3333 1 d . U P B -1
H1WA H 1.0075 -0.0356 0.2679 0.292 Uiso 0.3333 1 d R . P B -1
H1WB H 1.0523 0.0183 0.2792 0.292 Uiso 0.3333 1 d R . P B -1
F2B F 0.7835(4) 0.0096(4) 0.2632(6) 0.126(3) Uani 0.5 1 d D U P A 2
C23 C 0.6996(5) 0.0688(6) 0.3980(7) 0.163(4) Uani 0.75 1 d . U P C -2
H23 H 0.7315 0.0636 0.4036 0.196 Uiso 0.75 1 calc R . P C -2
C22 C 0.6972(5) 0.1001(5) 0.3443(6) 0.163(4) Uani 0.75 1 d G U P C -2
H22 H 0.7275 0.1158 0.3139 0.195 Uiso 0.75 1 calc R . P C -2
C21 C 0.6495(6) 0.1078(5) 0.3360(5) 0.152(4) Uani 0.75 1 d DG U P C -2
H21 H 0.6479 0.1287 0.3000 0.182 Uiso 0.75 1 calc R . P C -2
C26 C 0.6042(5) 0.0842(5) 0.3814(6) 0.163(4) Uani 0.75 1 d DG U P C -2
C25 C 0.6066(5) 0.0529(5) 0.4351(5) 0.149(4) Uani 0.75 1 d DG U P C -2
H25 H 0.5762 0.0372 0.4655 0.179 Uiso 0.75 1 calc R . P C -2
C24 C 0.6543(6) 0.0452(5) 0.4434(5) 0.157(4) Uani 0.75 1 d G U P C -2
H24 H 0.6559 0.0243 0.4794 0.189 Uiso 0.75 1 calc R . P C -2
C27 C 0.5540(8) 0.0957(11) 0.3746(10) 0.236(9) Uani 0.75 1 d D U P C -2
H27A H 0.5646 0.1328 0.3939 0.354 Uiso 0.75 1 calc R . P C -2
H27B H 0.5205 0.0657 0.3970 0.354 Uiso 0.75 1 calc R . P C -2
H27C H 0.5450 0.0960 0.3288 0.354 Uiso 0.75 1 calc R . P C -2
C21B C 0.6638(11) 0.0877(14) 0.3909(15) 0.140(8) Uani 0.25 1 d D U P D -1
H21B H 0.6960 0.1115 0.3650 0.168 Uiso 0.25 1 calc R . P D -1
C26B C 0.6129(12) 0.0902(11) 0.3843(12) 0.148(8) Uani 0.25 1 d DG U P D -1
C25B C 0.5647(10) 0.0547(14) 0.4230(15) 0.143(8) Uani 0.25 1 d DG U P D -1
H25B H 0.5307 0.0563 0.4186 0.172 Uiso 0.25 1 calc R . P D -1
C24B C 0.5674(13) 0.0168(13) 0.4683(14) 0.146(8) Uani 0.25 1 d G U P D -1
H24B H 0.5352 -0.0070 0.4942 0.176 Uiso 0.25 1 calc R . P D -1
C23B C 0.6183(15) 0.0143(13) 0.4749(14) 0.140(8) Uani 0.25 1 d G U P D -1
H23B H 0.6201 -0.0111 0.5052 0.168 Uiso 0.25 1 calc R . P D -1
C22B C 0.6665(13) 0.0498(16) 0.4362(17) 0.138(8) Uani 0.25 1 d G U P D -1
H22B H 0.7005 0.0481 0.4406 0.166 Uiso 0.25 1 calc R . P D -1
C27B C 0.6100(19) 0.1317(17) 0.3347(18) 0.166(12) Uani 0.25 1 d D U P D -1
H27D H 0.6487 0.1597 0.3207 0.249 Uiso 0.25 1 calc R . P D -1
H27E H 0.5922 0.1517 0.3550 0.249 Uiso 0.25 1 calc R . P D -1
H27F H 0.5874 0.1102 0.2973 0.249 Uiso 0.25 1 calc R . P D -1
C28 C 0.7073(11) 0.3177(14) 0.3324(15) 0.233(5) Uani 0.8333 1 d D U P E 1
H28 H 0.7356 0.3068 0.3298 0.280 Uiso 0.8333 1 calc R . P E 1
C29 C 0.753(2) 0.300(3) 0.323(6) 0.234(11) Uani 0.1667 1 d D U P F 2
H29A H 0.7883 0.3268 0.3464 0.351 Uiso 0.1667 1 calc R . P F 2
H29B H 0.7620 0.3004 0.2772 0.351 Uiso 0.1667 1 calc R . P F 2
H29C H 0.7392 0.2614 0.3405 0.351 Uiso 0.1667 1 calc R . P F 2
C28A C 0.7073(11) 0.3177(14) 0.3324(15) 0.233(5) Uani 0.1667 1 d . U P F 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
Ag2 Ag2 2.9315(6) 2_645 ?
Ag2 Ag2 2.9314(6) 3_765 ?
Ag2 Ag1 3.1026(5) 12_546 ?
Ag2 Ag1 3.3002(6) . ?
Ag2 S1 2.4641(11) 3_765 ?
Ag2 S1 2.4769(11) . ?
Ag2 O2 2.383(4) . ?
Ag1 Ag2 3.1026(5) 11_666 ?
Ag1 S1 2.4788(12) 3_765 ?
Ag1 S1 2.6132(11) 11_666 ?
Ag1 N1 2.233(4) . ?
Ag1 O1 2.569(4) 11_666 ?
S1 Ag2 2.4641(11) 2_645 ?
S1 Ag1 2.4788(11) 2_645 ?
S1 Ag1 2.6132(11) 12_546 ?
S1 C1 1.865(5) . ?
N1 C8 1.340(7) . ?
N1 C12 1.345(7) . ?
C9 H9 0.9300 . ?
C9 C8 1.378(8) . ?
C9 C10 1.387(7) . ?
C8 H8 0.9300 . ?
C10 C11 1.388(8) . ?
C10 C13 1.483(7) . ?
C12 H12 0.9300 . ?
C12 C11 1.385(7) . ?
C11 H11 0.9300 . ?
O2 C19 1.244(7) . ?
C19 C20 1.474(9) . ?
C19 O1 1.235(7) . ?
C13 C14 1.407(9) . ?
C13 C18 1.368(10) . ?
C14 H14 0.9300 . ?
C14 C15 1.398(9) . ?
C20 F3B 1.330(8) . ?
C20 F1B 1.351(8) . ?
C20 F3 1.340(8) . ?
C20 F1 1.332(8) . ?
C20 F2 1.346(8) . ?
C20 F2B 1.332(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.353(14) . ?
C18 H18 0.9300 . ?
C18 C17 1.384(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.373(14) . ?
C17 H17 0.9300 . ?
O1 Ag1 2.569(4) 12_546 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.486(8) . ?
C2 C3 1.389(8) . ?
C2 C7 1.358(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.391(10) . ?
C7 H7 0.9300 . ?
C7 C6 1.463(13) . ?
C4 H4 0.9300 . ?
C4 C5 1.334(12) . ?
C5 H5 0.9300 . ?
C5 C6 1.326(14) . ?
C6 H6 0.9300 . ?
O1W H1WA 0.8497 . ?
O1W H1WB 0.8505 . ?
C23 H23 0.9300 . ?
C23 C22 1.3900 . ?
C23 C24 1.3900 . ?
C22 H22 0.9300 . ?
C22 C21 1.3900 . ?
C21 H21 0.9300 . ?
C21 C26 1.3900 . ?
C26 C25 1.3900 . ?
C26 C27 1.514(10) . ?
C25 H25 0.9300 . ?
C25 C24 1.3900 . ?
C24 H24 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C21B H21B 0.9300 . ?
C21B C26B 1.3900 . ?
C21B C22B 1.3900 . ?
C26B C25B 1.3900 . ?
C26B C27B 1.522(10) . ?
C25B H25B 0.9300 . ?
C25B C24B 1.3900 . ?
C24B H24B 0.9300 . ?
C24B C23B 1.3900 . ?
C23B H23B 0.9300 . ?
C23B C22B 1.3900 . ?
C22B H22B 0.9300 . ?
C27B H27D 0.9600 . ?
C27B H27E 0.9600 . ?
C27B H27F 0.9600 . ?
C28 C28 1.336(18) 17 ?
C28 C28 1.336(18) 18_545 ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag2 Ag2 Ag2 60.000(1) 3_765 2_645 ?
Ag2 Ag2 Ag1 138.391(10) 2_645 . ?
Ag2 Ag2 Ag1 95.785(15) 3_765 . ?
Ag2 Ag2 Ag1 102.455(16) 2_645 12_546 ?
Ag2 Ag2 Ag1 142.684(11) 3_765 12_546 ?
Ag1 Ag2 Ag1 75.919(8) 12_546 . ?
S1 Ag2 Ag2 112.69(3) . 3_765 ?
S1 Ag2 Ag2 53.41(3) . 2_645 ?
S1 Ag2 Ag2 53.81(3) 3_765 3_765 ?
S1 Ag2 Ag2 113.08(3) 3_765 2_645 ?
S1 Ag2 Ag1 48.30(3) 3_765 . ?
S1 Ag2 Ag1 54.47(3) . 12_546 ?
S1 Ag2 Ag1 123.57(3) 3_765 12_546 ?
S1 Ag2 Ag1 127.54(3) . . ?
S1 Ag2 S1 158.33(5) 3_765 . ?
O2 Ag2 Ag2 124.36(10) . 3_765 ?
O2 Ag2 Ag2 124.32(12) . 2_645 ?
O2 Ag2 Ag1 92.91(10) . 12_546 ?
O2 Ag2 Ag1 97.17(12) . . ?
O2 Ag2 S1 100.90(11) . . ?
O2 Ag2 S1 100.75(11) . 3_765 ?
Ag2 Ag1 Ag2 78.691(15) 11_666 . ?
S1 Ag1 Ag2 71.79(3) 11_666 . ?
S1 Ag1 Ag2 50.47(2) 11_666 11_666 ?
S1 Ag1 Ag2 47.92(3) 3_765 . ?
S1 Ag1 Ag2 77.07(3) 3_765 11_666 ?
S1 Ag1 S1 106.59(5) 3_765 11_666 ?
S1 Ag1 O1 108.51(11) 3_765 11_666 ?
N1 Ag1 Ag2 127.06(12) . . ?
N1 Ag1 Ag2 145.53(10) . 11_666 ?
N1 Ag1 S1 136.44(11) . 3_765 ?
N1 Ag1 S1 110.74(11) . 11_666 ?
N1 Ag1 O1 91.50(16) . 11_666 ?
O1 Ag1 Ag2 141.25(11) 11_666 . ?
O1 Ag1 Ag2 64.68(11) 11_666 11_666 ?
O1 Ag1 S1 92.75(10) 11_666 11_666 ?
Ag2 S1 Ag2 72.78(3) 2_645 . ?
Ag2 S1 Ag1 83.77(4) 2_645 2_645 ?
Ag2 S1 Ag1 138.21(4) . 2_645 ?
Ag2 S1 Ag1 135.86(4) 2_645 12_546 ?
Ag2 S1 Ag1 75.06(3) . 12_546 ?
Ag1 S1 Ag1 101.41(4) 2_645 12_546 ?
C1 S1 Ag2 106.0(2) . 2_645 ?
C1 S1 Ag2 106.43(18) . . ?
C1 S1 Ag1 113.15(19) . 2_645 ?
C1 S1 Ag1 111.6(2) . 12_546 ?
C8 N1 Ag1 121.0(3) . . ?
C8 N1 C12 117.2(4) . . ?
C12 N1 Ag1 121.8(4) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 119.9(5) . . ?
C10 C9 H9 120.0 . . ?
N1 C8 C9 123.4(5) . . ?
N1 C8 H8 118.3 . . ?
C9 C8 H8 118.3 . . ?
C9 C10 C11 116.6(4) . . ?
C9 C10 C13 120.6(5) . . ?
C11 C10 C13 122.8(5) . . ?
N1 C12 H12 118.9 . . ?
N1 C12 C11 122.2(5) . . ?
C11 C12 H12 118.9 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.6(5) . . ?
C12 C11 H11 119.7 . . ?
C19 O2 Ag2 109.5(3) . . ?
O2 C19 C20 115.1(5) . . ?
O1 C19 O2 127.6(5) . . ?
O1 C19 C20 117.3(6) . . ?
C14 C13 C10 120.1(6) . . ?
C18 C13 C10 121.1(5) . . ?
C18 C13 C14 118.8(6) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 C13 119.4(7) . . ?
C15 C14 H14 120.3 . . ?
F3B C20 C19 114.0(8) . . ?
F3B C20 F1B 97.3(12) . . ?
F3B C20 F2B 114.6(11) . . ?
F1B C20 C19 115.0(7) . . ?
F3 C20 C19 112.2(7) . . ?
F3 C20 F2 95.6(11) . . ?
F1 C20 C19 112.5(8) . . ?
F1 C20 F3 97.1(12) . . ?
F1 C20 F2 121.1(10) . . ?
F2 C20 C19 114.9(8) . . ?
F2B C20 C19 113.0(7) . . ?
F2B C20 F1B 101.2(10) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.6(8) . . ?
C16 C15 H15 119.7 . . ?
C13 C18 H18 119.7 . . ?
C13 C18 C17 120.6(8) . . ?
C17 C18 H18 119.7 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.0(7) . . ?
C17 C16 H16 120.0 . . ?
C18 C17 H17 119.7 . . ?
C16 C17 C18 120.5(9) . . ?
C16 C17 H17 119.7 . . ?
C19 O1 Ag1 137.4(4) . 12_546 ?
S1 C1 H1A 109.6 . . ?
S1 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
C2 C1 S1 110.4(4) . . ?
C2 C1 H1A 109.6 . . ?
C2 C1 H1B 109.6 . . ?
C3 C2 C1 118.2(5) . . ?
C7 C2 C1 122.6(6) . . ?
C7 C2 C3 119.2(6) . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.7(7) . . ?
C4 C3 H3 119.1 . . ?
C2 C7 H7 120.8 . . ?
C2 C7 C6 118.5(8) . . ?
C6 C7 H7 120.8 . . ?
C3 C4 H4 121.2 . . ?
C5 C4 C3 117.6(8) . . ?
C5 C4 H4 121.2 . . ?
C4 C5 H5 117.7 . . ?
C6 C5 C4 124.5(9) . . ?
C6 C5 H5 117.7 . . ?
C7 C6 H6 120.8 . . ?
C5 C6 C7 118.3(8) . . ?
C5 C6 H6 120.8 . . ?
H1WA O1W H1WB 104.5 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C26 120.0 . . ?
C26 C21 H21 120.0 . . ?
C21 C26 C27 120.0(4) . . ?
C25 C26 C21 120.0 . . ?
C25 C26 C27 119.9(4) . . ?
C26 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26B C21B H21B 120.0 . . ?
C26B C21B C22B 120.0 . . ?
C22B C21B H21B 120.0 . . ?
C21B C26B C27B 120.0(4) . . ?
C25B C26B C21B 120.0 . . ?
C25B C26B C27B 120.0(4) . . ?
C26B C25B H25B 120.0 . . ?
C24B C25B C26B 120.0 . . ?
C24B C25B H25B 120.0 . . ?
C25B C24B H24B 120.0 . . ?
C25B C24B C23B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C24B C23B H23B 120.0 . . ?
C24B C23B C22B 120.0 . . ?
C22B C23B H23B 120.0 . . ?
C21B C22B H22B 120.0 . . ?
C23B C22B C21B 120.0 . . ?
C23B C22B H22B 120.0 . . ?
C26B C27B H27D 109.5 . . ?
C26B C27B H27E 109.5 . . ?
C26B C27B H27F 109.5 . . ?
H27D C27B H27E 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
C28 C28 C28 119.9(3) 17 18_545 ?
C28 C28 H28 120.0 17 . ?
C28 C28 H28 120.0 18_545 . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 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
Ag2 S1 C1 C2 -163.8(4) . . . . ?
Ag2 S1 C1 C2 119.9(4) 2_645 . . . ?
Ag2 O2 C19 C20 176.3(4) . . . . ?
Ag2 O2 C19 O1 -2.7(7) . . . . ?
Ag1 S1 C1 C2 -83.7(5) 12_546 . . . ?
Ag1 S1 C1 C2 29.9(5) 2_645 . . . ?
Ag1 N1 C8 C9 178.2(4) . . . . ?
Ag1 N1 C12 C11 -177.9(4) . . . . ?
S1 C1 C2 C3 -90.5(6) . . . . ?
S1 C1 C2 C7 89.2(7) . . . . ?
N1 C12 C11 C10 -0.1(8) . . . . ?
C9 C10 C11 C12 -0.5(7) . . . . ?
C9 C10 C13 C14 -147.8(5) . . . . ?
C9 C10 C13 C18 35.3(8) . . . . ?
C8 N1 C12 C11 0.4(7) . . . . ?
C8 C9 C10 C11 0.8(8) . . . . ?
C8 C9 C10 C13 -179.0(5) . . . . ?
C10 C9 C8 N1 -0.5(9) . . . . ?
C10 C13 C14 C15 179.5(6) . . . . ?
C10 C13 C18 C17 178.4(8) . . . . ?
C12 N1 C8 C9 -0.1(8) . . . . ?
C11 C10 C13 C14 32.5(7) . . . . ?
C11 C10 C13 C18 -144.5(6) . . . . ?
O2 C19 C20 F3B -129.3(13) . . . . ?
O2 C19 C20 F1B -18.1(13) . . . . ?
O2 C19 C20 F3 -70.1(13) . . . . ?
O2 C19 C20 F1 38.2(11) . . . . ?
O2 C19 C20 F2 -177.8(10) . . . . ?
O2 C19 C20 F2B 97.5(9) . . . . ?
O2 C19 O1 Ag1 -27.4(10) . . . 12_546 ?
C13 C10 C11 C12 179.3(5) . . . . ?
C13 C14 C15 C16 1.8(12) . . . . ?
C13 C18 C17 C16 2.5(16) . . . . ?
C14 C13 C18 C17 1.4(12) . . . . ?
C14 C15 C16 C17 2.1(16) . . . . ?
C20 C19 O1 Ag1 153.6(5) . . . 12_546 ?
C15 C16 C17 C18 -4.2(18) . . . . ?
C18 C13 C14 C15 -3.4(9) . . . . ?
O1 C19 C20 F3B 49.8(13) . . . . ?
O1 C19 C20 F1B 161.0(12) . . . . ?
O1 C19 C20 F3 109.0(13) . . . . ?
O1 C19 C20 F1 -142.7(11) . . . . ?
O1 C19 C20 F2 1.2(11) . . . . ?
O1 C19 C20 F2B -83.5(9) . . . . ?
C1 C2 C3 C4 178.7(5) . . . . ?
C1 C2 C7 C6 -177.2(6) . . . . ?
C2 C3 C4 C5 -1.9(10) . . . . ?
C2 C7 C6 C5 -1.1(13) . . . . ?
C3 C2 C7 C6 2.5(11) . . . . ?
C3 C4 C5 C6 3.5(13) . . . . ?
C7 C2 C3 C4 -1.1(9) . . . . ?
C4 C5 C6 C7 -2.1(14) . . . . ?
C23 C22 C21 C26 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
C22 C21 C26 C27 176.3(15) . . . . ?
C21 C26 C25 C24 0.0 . . . . ?
C26 C25 C24 C23 0.0 . . . . ?
C24 C23 C22 C21 0.0 . . . . ?
C27 C26 C25 C24 -176.3(15) . . . . ?
C21B C26B C25B C24B 0.0 . . . . ?
C26B C21B C22B C23B 0.0 . . . . ?
C26B C25B C24B C23B 0.0 . . . . ?
C25B C24B C23B C22B 0.0 . . . . ?
C24B C23B C22B C21B 0.0 . . . . ?
C22B C21B C26B C25B 0.0 . . . . ?
C22B C21B C26B C27B 180.0(3) . . . . ?
C27B C26B C25B C24B -180.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.527
_oxdiff_exptl_absorpt_empirical_full_min 0.674
####################################################################### 
# 
# 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_nc_4
_database_code_depnum_ccdc_archive 'CCDC 1855160'
_audit_update_record             
;
2018-07-11 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;
_audit_creation_date             2018-04-17
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.07.14 svn.r3447 for OlexSys, GUI svn.r5367)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C168 H120 Ag12 F18 N6 O12 S6, C7 H7, C7 H8'
_chemical_formula_sum            'C182 H135 Ag12 F18 N6 O12 S6'
_chemical_formula_weight         4426.75
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N S Ag'
_chemical_oxdiff_usercomment     st
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.4384(3)
_cell_length_b                   15.9813(3)
_cell_length_c                   17.8191(3)
_cell_angle_alpha                80.552(2)
_cell_angle_beta                 83.937(2)
_cell_angle_gamma                89.612(2)
_cell_volume                     4032.96(13)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    37314
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      74.2120
_cell_measurement_theta_min      2.8320
_shelx_estimated_absorpt_T_max   0.308
_shelx_estimated_absorpt_T_min   0.266
_exptl_absorpt_coefficient_mu    12.852
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2187
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            75278
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         66.496
_diffrn_reflns_theta_min         2.528
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00  33.00   0.25    0.30    --    0.00 -82.00  90.00  264
  2  ω    -33.00  33.00   0.25    0.30    --    0.00 -82.00 -30.00  264
  3  ω    -89.00  25.00   0.25    0.30    --    0.00 -57.00-180.00  456
  4  ω    -33.00  33.00   0.25    0.30    --    0.00 -82.00 120.00  264
  5  ω    -46.00  31.00   0.25    0.30    --    0.00 -77.00   0.00  308
  6  ω    -46.00  31.00   0.25    0.30    --    0.00 -77.00-120.00  308
  7  ω      6.00 129.00   0.25    0.30    --   95.80 -82.00-120.00  492
  8  ω      6.00 129.00   0.25    0.30    --   95.80 -82.00 150.00  492
  9  ω      6.00 129.00   0.25    0.30    --   95.80 -82.00   0.00  492
 10  ω     71.00 185.00   0.25    0.30    --   95.80  30.00  30.00  456
 11  ω      6.00 122.00   0.25    0.30    --   95.80 -61.00 -60.00  464
 12  ω     72.00 185.00   0.25    0.30    --   95.80  45.00  30.00  452
 13  ω      6.00 129.00   0.25    0.30    --   95.80 -82.00-150.00  492
 14  ω      6.00 122.00   0.25    0.30    --   95.80 -61.00  60.00  464
 15  ω      6.00 129.00   0.25    0.30    --   95.80 -82.00 -60.00  492
 16  ω      6.00 120.00   0.25    0.30    --   95.80 -30.00 150.00  456
 17  ω      6.00 129.00   0.25    0.30    --   95.80 -82.00 120.00  492
 18  ω      6.00 133.00   0.25    0.30    --   95.80 -15.00  60.00  508
 19  ω     87.00 185.00   0.25    0.30    --   95.80  81.00-163.00  392
 20  ω      6.00 129.00   0.25    0.30    --   95.80 -82.00-180.00  492
 21  ω      6.00 129.00   0.25    0.30    --   95.80 -82.00  60.00  492
 22  ω     58.00 185.00   0.25    0.30    --   95.80  15.00 -30.00  508
 23  ω    -89.00 -31.00   0.25    0.30    --    0.00 -38.00  30.00  232
 24  ω    -89.00  25.00   0.25    0.30    --    0.00 -57.00 -90.00  456
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0677940000
_diffrn_orient_matrix_UB_12      0.0434114000
_diffrn_orient_matrix_UB_13      0.0539137000
_diffrn_orient_matrix_UB_21      -0.0762495000
_diffrn_orient_matrix_UB_22      -0.0019248000
_diffrn_orient_matrix_UB_23      -0.0540132000
_diffrn_orient_matrix_UB_31      -0.0332341000
_diffrn_orient_matrix_UB_32      -0.0875372000
_diffrn_orient_matrix_UB_33      0.0440987000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12835
_reflns_number_total             14180
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.379
_refine_diff_density_min         -2.410
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1503
_refine_ls_number_reflns         14180
_refine_ls_number_restraints     640
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0482
_refine_ls_restrained_S_all      1.066
_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)+(0.0516P)²+21.0719P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1198
_refine_ls_wR_factor_ref         0.1228
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C16-C17 \\sim C16-C15 \\sim C20-C15 \\sim C19-C20 \\sim C19-C18 \\sim C18-C17
 with sigma of 0.01
 C20B-C15 \\sim C19B-C20B \\sim C19B-C18B \\sim C18B-C17B \\sim C17B-C16B \\sim
C15-C16B
 with sigma of 0.01
 C21-C22 \\sim C22B-C21
 with sigma of 0.01
 F9B-C4 \\sim F9-C4 \\sim F7B-C4 \\sim F7-C4 \\sim F8B-C4 \\sim F8-C4
 with sigma of 0.01
 C64B-C63B \\sim C64B-C65B \\sim C60B-C65B \\sim C60B-C61B \\sim C62B-C61B
\\sim C62B-C63B
 with sigma of 0.01
 C58B-C57B \\sim C58B-C53B \\sim C56B-C57B \\sim C55B-C56B \\sim C54B-C55B
\\sim C54B-C53B
 with sigma of 0.01
 C59-C58 \\sim C59-C60 \\sim C65-C60 \\sim C52-C65 \\sim C58-C53 \\sim C53-C52
 with sigma of 0.01
 C72B-C71B \\sim C71B-C84B \\sim C84B-C79B \\sim C78B-C79B \\sim C77B-C78B
\\sim C72B-C77B
 with sigma of 0.01
 C72B-C84B \\sim C84B-C78B
 with sigma of 0.01
 C19B-C16B \\sim C15-C18B
 with sigma of 0.01
 C19B-C17B \\sim C16B-C20B
 with sigma of 0.01
 C73-C74 \\sim C73-C72 \\sim C72-C77 \\sim C76-C77 \\sim C76-C75 \\sim C75-C74
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F9 \\sim F8 \\sim F7 \\sim F8B \\sim F9B \\sim F7B: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C77 \\sim C79B \\sim C78B \\sim C80B \\sim C78 \\sim C79 \\sim C82B \\sim C81B
\\sim C84 \\sim C83B \\sim C84B: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C64B) \\sim Ueq, Uanis(C63B) \\sim Ueq, Uanis(C62B) \\sim Ueq,
Uanis(C61B) \\sim Ueq, Uanis(C60B) \\sim Ueq, Uanis(C65B) \\sim Ueq,
Uanis(C52B) \\sim Ueq, Uanis(C53B) \\sim Ueq, Uanis(C59B) \\sim Ueq,
Uanis(C58B) \\sim Ueq, Uanis(C57B) \\sim Ueq, Uanis(C56B) \\sim Ueq,
Uanis(C55B) \\sim Ueq, Uanis(C54B) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C78B)
\\sim Ueq, Uanis(C79B) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C72B) \\sim Ueq,
Uanis(C76B) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C79)
\\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C92) \\sim Ueq,
Uanis(C93) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C64)
\\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C61) \\sim Ueq,
Uanis(C16) \\sim Ueq, Uanis(C16B) \\sim Ueq, Uanis(C20B) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C19B) \\sim Ueq, Uanis(C18B) \\sim Ueq,
Uanis(C17B) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C27B)
\\sim Ueq, Uanis(C22B) \\sim Ueq, Uanis(C23B) \\sim Ueq, Uanis(C24B) \\sim Ueq,
Uanis(C25B) \\sim Ueq, Uanis(C26B) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C51)
\\sim Ueq, Uanis(C51B) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C74B) \\sim Ueq, Uanis(C75B) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C62B) \\sim Ueq, Uanis(C61B) \\sim Ueq, Uanis(C60B) \\sim Ueq,
Uanis(C65B) \\sim Ueq, Uanis(C64B) \\sim Ueq, Uanis(C63B) \\sim Ueq,
Uanis(C59B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: Ag5(0.5) H21c(0.5) H21d(0.5) H21a(0.5) H21b(0.5) F9(0.5) F8(0.5)
 N3(0.5) C51B(0.5) H51B(0.5) C50B(0.5) H50B(0.5) C49B(0.5) C48B(0.5) H48B(0.5)
 C47B(0.5) H47B(0.5) C66B(0.5) H66B(0.5) F7(0.5) C70B(0.5) H70B(0.5) C67B(0.5)
 H67B(0.5) C78(0.5) H78(0.5) C18(0.5) H18(0.5) C83(0.5) H83(0.5) C16(0.5)
 H16(0.5) C71(0.5) C20(0.5) H20(0.5) C19(0.5) H19(0.5) C79(0.5) C80(0.5)
 H80(0.5) C17(0.5) H17(0.5) C69(0.5) H69(0.5) C23B(0.5) H23B(0.5) C24B(0.5)
 H24B(0.5) C25B(0.5) H25B(0.5) C26B(0.5) H26B(0.5) C27B(0.5) H27B(0.5)
 C22B(0.5) C23(0.5) H23(0.5) C24(0.5) H24(0.5) C25(0.5) H25(0.5) C26(0.5)
 H26(0.5) C27(0.5) H27(0.5) C22(0.5) C20B(0.5) H20B(0.5) C19B(0.5) H19B(0.5)
 C16B(0.5) H16B(0.5) C17B(0.5) H17B(0.5) C18B(0.5) H18B(0.5) C69B(0.5)
 H69B(0.5) C71B(0.5) C72B(0.5) C77B(0.5) C78B(0.5) H78B(0.5) C77(0.5) C68(0.5)
 C68B(0.5) C67(0.5) H67(0.5) C70(0.5) H70(0.5) C84(0.5) C81(0.5) H81(0.5)
 C76B(0.5) H76B(0.5) C73B(0.5) H73B(0.5) C74B(0.5) H74B(0.5) C75B(0.5)
 H75B(0.5) C82(0.5) H82(0.5) C66(0.5) H66(0.5) C72(0.5) C75(0.5) H75(0.5)
 C76(0.5) H76(0.5) C74(0.5) H74(0.5) C73(0.5) H73(0.5) C79B(0.5) C84B(0.5)
 C83B(0.5) H83B(0.5) C82B(0.5) H82B(0.5) C81B(0.5) H81B(0.5) C80B(0.5)
 H80B(0.5) C65B(0.5) C52B(0.5) C53B(0.5) C58B(0.5) C59B(0.5) H59B(0.5)
 C60B(0.5) C48(0.5) H48(0.5) C49(0.5) C47(0.5) H47(0.5) C51(0.5) H51(0.5)
 C50(0.5) H50(0.5) N3B(0.5) F8B(0.5) F9B(0.5) F7B(0.5) C95(0.5) H95a(0.5)
 H95b(0.5) H95c(0.5) C64(0.5) H64(0.5) C52(0.5) C58(0.5) C53(0.5) C54(0.5)
 H54(0.5) C55(0.5) H55(0.5) C56(0.5) H56(0.5) C57(0.5) H57(0.5) C59(0.5)
 H59(0.5) C60(0.5) C65(0.5) C63(0.5) H63(0.5) C61(0.5) H61(0.5) C62(0.5)
 H62(0.5) C64B(0.5) H64B(0.5) C63B(0.5) H63B(0.5) C62B(0.5) H62B(0.5) C61B(0.5)
 H61B(0.5) C56B(0.5) H56B(0.5) C54B(0.5) H54B(0.5) C55B(0.5) H55B(0.5)
 C57B(0.5) H57B(0.5) C91(0.5) H91(0.5) C90(0.5) H90(0.5) C89(0.5) H89(0.5)
 C88(0.5) H88(0.5) C87(0.5) H87(0.5) C86(0.5) C85(0.5) H85a(0.5) H85b(0.5)
 H85c(0.5) Ag5B(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C7(H7a,H7b), C21(H21c,H21d), C21(H21a,H21b), C14(H14a,H14b)
5.b Aromatic/amide H refined with riding coordinates:
 C29(H29), C31(H31), C35(H35), C9(H9), C36(H36), C38(H38), C37(H37), C32(H32),
 C45(H45), C28(H28), C40(H40), C10(H10), C13(H13), C12(H12), C11(H11), C44(H44),
  C51B(H51B), C50B(H50B), C48B(H48B), C47B(H47B), C66B(H66B), C42(H42),
 C43(H43), C70B(H70B), C67B(H67B), C78(H78), C18(H18), C83(H83), C16(H16),
 C20(H20), C19(H19), C80(H80), C17(H17), C69(H69), C23B(H23B), C24B(H24B),
 C25B(H25B), C26B(H26B), C27B(H27B), C23(H23), C24(H24), C25(H25), C26(H26),
 C27(H27), C20B(H20B), C19B(H19B), C16B(H16B), C17B(H17B), C18B(H18B),
 C69B(H69B), C78B(H78B), C67(H67), C70(H70), C81(H81), C76B(H76B), C73B(H73B),
 C74B(H74B), C75B(H75B), C82(H82), C66(H66), C75(H75), C76(H76), C74(H74),
 C73(H73), C83B(H83B), C82B(H82B), C81B(H81B), C80B(H80B), C59B(H59B), C48(H48),
  C47(H47), C51(H51), C50(H50), C93(H93), C92(H92), C64(H64), C54(H54),
 C55(H55), C56(H56), C57(H57), C59(H59), C63(H63), C61(H61), C62(H62),
 C64B(H64B), C63B(H63B), C62B(H62B), C61B(H61B), C56B(H56B), C54B(H54B),
 C55B(H55B), C57B(H57B), C91(H91), C90(H90), C89(H89), C88(H88), C87(H87)
5.c Fitted hexagon refined as free rotating group:
 N3(C51B,C50B,C49B,C48B,C47B), C23B(C24B,C25B,C26B,C27B,C22B), C23(C24,C25,C26,
 C27,C22), C79B(C84B,C83B,C82B,C81B,C80B), C65B(C52B,C53B,C58B,C59B,C60B),
 C58(C53,C54,C55,C56,C57), C91(C90,C89,C88,C87,C86)
5.d Idealised Me refined as rotating group:
 C95(H95a,H95b,H95c), C85(H85a,H85b,H85c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.61833(3) 0.53786(2) 0.58647(2) 0.03014(11) Uani 1 1 d . . . . .
Ag2 Ag 0.64813(3) 0.60651(3) 0.41982(2) 0.02973(11) Uani 1 1 d . . . . .
Ag3 Ag 0.48975(3) 0.66579(3) 0.51471(2) 0.03222(11) Uani 1 1 d . . . . .
Ag4 Ag 0.33296(3) 0.65712(3) 0.41736(3) 0.04412(13) Uani 1 1 d . . . . .
Ag5 Ag 0.7053(3) 0.44364(15) 0.3599(2) 0.0321(4) Uani 0.5 1 d . . P A 1
Ag6 Ag 0.52412(4) 0.56254(3) 0.28348(3) 0.05827(16) Uani 1 1 d . . . . .
S1 S 0.50154(8) 0.67290(8) 0.37482(8) 0.0264(3) Uani 1 1 d . . . . .
S2 S 0.72014(8) 0.47991(8) 0.48931(7) 0.0237(3) Uani 1 1 d . . . . .
S3 S 0.46814(9) 0.58299(8) 0.64639(8) 0.0298(3) Uani 1 1 d . . . . .
O1 O 0.3297(2) 0.7618(2) 0.5463(2) 0.0306(8) Uani 1 1 d . . . . .
O2 O 0.4771(3) 0.8055(2) 0.5448(2) 0.0353(9) Uani 1 1 d . . . . .
N2 N 0.2001(3) 0.7238(3) 0.3932(3) 0.0279(10) Uani 1 1 d . . . . .
C29 C 0.0789(4) 0.8174(3) 0.4270(3) 0.0271(11) Uani 1 1 d . . . . .
H29 H 0.0560 0.8569 0.4588 0.032 Uiso 1 1 calc R . . . .
C31 C 0.0635(4) 0.7387(3) 0.3267(3) 0.0247(11) Uani 1 1 d . . . . .
H31 H 0.0303 0.7232 0.2877 0.030 Uiso 1 1 calc R . . . .
C30 C 0.0260(3) 0.7967(3) 0.3718(3) 0.0211(10) Uani 1 1 d . . . . .
C35 C -0.1381(3) 0.7461(3) 0.4805(3) 0.0257(11) Uani 1 1 d . . . . .
H35 H -0.0811 0.7169 0.4863 0.031 Uiso 1 1 calc R . . . .
C8 C 0.9077(3) 0.4830(3) 0.4374(3) 0.0239(10) Uani 1 1 d . . . . .
C3 C 0.3914(4) 0.8136(3) 0.5523(3) 0.0254(11) Uani 1 1 d . . . . .
C9 C 0.9451(4) 0.4024(3) 0.4417(3) 0.0299(12) Uani 1 1 d . . . . .
H9 H 0.9301 0.3614 0.4862 0.036 Uiso 1 1 calc R . . . .
C7 C 0.8413(3) 0.5047(3) 0.5022(3) 0.0270(11) Uani 1 1 d . . . . .
H7A H 0.8472 0.5658 0.5048 0.032 Uiso 1 1 calc R . . . .
H7B H 0.8577 0.4721 0.5512 0.032 Uiso 1 1 calc R . . . .
C36 C -0.2122(4) 0.7244(4) 0.5337(3) 0.0313(12) Uani 1 1 d . . . . .
H36 H -0.2066 0.6803 0.5757 0.038 Uiso 1 1 calc R . . . .
C33 C -0.0670(3) 0.8360(3) 0.3615(3) 0.0223(10) Uani 1 1 d . . . . .
C38 C -0.3068(4) 0.8290(4) 0.4659(4) 0.0336(13) Uani 1 1 d . . . . .
H38 H -0.3647 0.8570 0.4616 0.040 Uiso 1 1 calc R . . . .
C37 C -0.2984(4) 0.7679(4) 0.5264(4) 0.0356(13) Uani 1 1 d . . . . .
H37 H -0.3497 0.7538 0.5643 0.043 Uiso 1 1 calc R . . . .
C32 C 0.1497(3) 0.7039(3) 0.3394(3) 0.0272(11) Uani 1 1 d . . . . .
H32 H 0.1744 0.6641 0.3086 0.033 Uiso 1 1 calc R . . . .
C34 C -0.1432(3) 0.8113(3) 0.4162(3) 0.0236(10) Uani 1 1 d . . . . .
C45 C -0.0007(4) 0.9277(3) 0.2409(4) 0.0364(13) Uani 1 1 d . . . . .
H45 H 0.0590 0.9033 0.2454 0.044 Uiso 1 1 calc R . . . .
C28 C 0.1651(4) 0.7806(3) 0.4357(3) 0.0290(11) Uani 1 1 d . . . . .
H28 H 0.2007 0.7963 0.4732 0.035 Uiso 1 1 calc R . . . .
C39 C -0.2312(4) 0.8532(3) 0.4078(3) 0.0288(12) Uani 1 1 d . . . . .
C41 C -0.1656(4) 0.9389(3) 0.2900(4) 0.0405(15) Uani 1 1 d . . . . .
C40 C -0.2395(4) 0.9153(3) 0.3448(4) 0.0375(14) Uani 1 1 d . . . . .
H40 H -0.2977 0.9424 0.3392 0.045 Uiso 1 1 calc R . . . .
C10 C 1.0040(4) 0.3815(4) 0.3818(4) 0.0380(14) Uani 1 1 d . . . . .
H10 H 1.0290 0.3260 0.3850 0.046 Uiso 1 1 calc R . . . .
C21 C 0.4986(4) 0.6560(4) 0.7103(4) 0.0413(15) Uani 1 1 d D . . . .
H21C H 0.5642 0.6746 0.6957 0.050 Uiso 0.5 1 calc R . P B 2
H21D H 0.4592 0.7070 0.7021 0.050 Uiso 0.5 1 calc R . P B 2
H21A H 0.5604 0.6401 0.7270 0.050 Uiso 0.5 1 calc R . P B 1
H21B H 0.5045 0.7140 0.6804 0.050 Uiso 0.5 1 calc R . P B 1
C14 C 0.5312(4) 0.7813(4) 0.3248(4) 0.0356(13) Uani 1 1 d . . . . .
H14A H 0.5770 0.8065 0.3524 0.043 Uiso 1 1 calc R . . . .
H14B H 0.5611 0.7782 0.2727 0.043 Uiso 1 1 calc R . . . .
F9 F 0.4140(7) 0.9608(5) 0.5496(7) 0.061(3) Uani 0.5 1 d D U P C 1
C46 C -0.0764(4) 0.8994(3) 0.2981(3) 0.0303(12) Uani 1 1 d . . . . .
C13 C 0.9307(4) 0.5425(4) 0.3723(3) 0.0337(13) Uani 1 1 d . . . . .
H13 H 0.9054 0.5978 0.3688 0.040 Uiso 1 1 calc R . . . .
C12 C 0.9902(4) 0.5216(4) 0.3124(4) 0.0417(14) Uani 1 1 d . . . . .
H12 H 1.0058 0.5628 0.2680 0.050 Uiso 1 1 calc R . . . .
F8 F 0.3365(12) 0.8921(10) 0.6476(5) 0.098(5) Uani 0.5 1 d D U P C 1
C11 C 1.0269(4) 0.4414(5) 0.3168(4) 0.0443(15) Uani 1 1 d . . . . .
H11 H 1.0676 0.4271 0.2754 0.053 Uiso 1 1 calc R . . . .
C15 C 0.4493(4) 0.8379(4) 0.3185(4) 0.0500(18) Uani 1 1 d D U . . .
C4 C 0.3553(3) 0.8976(4) 0.5735(3) 0.0427(15) Uani 1 1 d D . . . .
C44 C -0.0133(5) 0.9887(4) 0.1805(4) 0.0541(18) Uani 1 1 d . . . . .
H44 H 0.0378 1.0068 0.1435 0.065 Uiso 1 1 calc R . . . .
O3 O 0.7201(3) 0.5853(2) 0.2569(2) 0.0343(9) Uani 1 1 d . . . . .
O4 O 0.7144(3) 0.5676(2) 0.6842(2) 0.0343(9) Uani 1 1 d . . . . .
O5 O 0.7514(3) 0.6852(2) 0.3261(2) 0.0343(9) Uani 1 1 d . . . . .
O6 O 0.6855(3) 0.4297(3) 0.7105(3) 0.0422(10) Uani 1 1 d . . . . .
F6 F 0.8163(3) 0.6742(3) 0.1345(2) 0.0725(14) Uani 1 1 d . . . . .
N1 N 0.8026(4) 0.3702(4) 0.2839(3) 0.0429(13) Uani 1 1 d . . . . .
F5 F 0.9006(3) 0.7150(4) 0.2128(3) 0.0876(18) Uani 1 1 d . . . . .
C1 C 0.7176(4) 0.4966(3) 0.7256(3) 0.0271(11) Uani 1 1 d . . . . .
F4 F 0.7808(4) 0.7828(3) 0.1795(3) 0.0926(18) Uani 1 1 d . . . . .
C5 C 0.7558(4) 0.6520(4) 0.2675(3) 0.0296(12) Uani 1 1 d . . . . .
N3 N 0.5233(9) 0.6275(6) 0.1694(7) 0.038(6) Uani 0.5 1 d . . P D 2
C51B C 0.6052(7) 0.6450(8) 0.1210(9) 0.037(5) Uani 0.5 1 d G U P D 2
H51B H 0.6576 0.6093 0.1277 0.044 Uiso 0.5 1 calc R . P D 2
C50B C 0.6106(6) 0.7148(8) 0.0627(8) 0.030(5) Uani 0.5 1 d G . P D 2
H50B H 0.6666 0.7267 0.0296 0.036 Uiso 0.5 1 calc R . P D 2
C49B C 0.5340(7) 0.7670(5) 0.0528(5) 0.026(3) Uani 0.5 1 d G . P D 2
C48B C 0.4520(5) 0.7495(5) 0.1012(4) 0.025(2) Uani 0.5 1 d G . P D 2
H48B H 0.3997 0.7852 0.0944 0.030 Uiso 0.5 1 calc R . P D 2
C47B C 0.4467(7) 0.6798(6) 0.1594(5) 0.031(3) Uani 0.5 1 d G . P D 2
H47B H 0.3907 0.6678 0.1925 0.037 Uiso 0.5 1 calc R . P D 2
C2 C 0.7572(4) 0.4916(4) 0.7933(4) 0.0360(13) Uani 1 1 d . . . . .
F1 F 0.7931(4) 0.5643(4) 0.8125(3) 0.0997(18) Uani 1 1 d . . . . .
C66B C 0.8334(19) 0.4238(15) 0.2117(14) 0.028(5) Uani 0.5 1 d . . P A 1
H66B H 0.8238 0.4833 0.2037 0.033 Uiso 0.5 1 calc R . P A 1
C6 C 0.8154(5) 0.7037(4) 0.1988(4) 0.0432(15) Uani 1 1 d . . . . .
F2 F 0.8243(6) 0.4355(5) 0.8067(4) 0.124(2) Uani 1 1 d . U . . .
F3 F 0.6924(6) 0.4697(5) 0.8619(4) 0.136(3) Uani 1 1 d . U . . .
F7 F 0.2786(5) 0.9211(6) 0.5419(7) 0.072(3) Uani 0.5 1 d D U P C 1
C42 C -0.1752(6) 1.0022(4) 0.2252(5) 0.064(2) Uani 1 1 d . . . . .
H42 H -0.2339 1.0282 0.2191 0.077 Uiso 1 1 calc R . . . .
C43 C -0.1020(6) 1.0259(5) 0.1721(6) 0.074(3) Uani 1 1 d . . . . .
H43 H -0.1101 1.0677 0.1288 0.089 Uiso 1 1 calc R . . . .
C70B C 0.8061(13) 0.2947(15) 0.2905(10) 0.034(4) Uani 0.5 1 d . . P A 1
H70B H 0.7765 0.2626 0.3362 0.040 Uiso 0.5 1 calc R . P A 1
C67B C 0.8779(11) 0.3825(9) 0.1548(9) 0.031(3) Uani 0.5 1 d . . P A 1
H67B H 0.9024 0.4154 0.1076 0.037 Uiso 0.5 1 calc R . P A 1
C78 C 1.1471(12) 0.1653(9) 0.0588(9) 0.050(2) Uani 0.5 1 d . U P A 2
H78 H 1.1942 0.1400 0.0288 0.060 Uiso 0.5 1 calc R . P A 2
C18 C 0.3105(12) 0.9582(10) 0.3249(11) 0.055(6) Uani 0.5 1 d D . P E 1
H18 H 0.2633 0.9999 0.3232 0.066 Uiso 0.5 1 calc R . P E 1
C83 C 1.1265(9) 0.2479(7) 0.2381(7) 0.037(3) Uani 0.5 1 d . . P A 2
H83 H 1.0835 0.2761 0.2692 0.044 Uiso 0.5 1 calc R . P A 2
C16 C 0.4545(10) 0.9030(7) 0.3623(8) 0.049(4) Uani 0.5 1 d D U P E 1
H16 H 0.5062 0.9047 0.3908 0.059 Uiso 0.5 1 calc R . P E 1
C71 C 1.0109(9) 0.2467(7) 0.1441(6) 0.030(2) Uani 0.5 1 d . U P A 2
C20 C 0.3688(6) 0.8257(8) 0.2888(7) 0.039(3) Uani 0.5 1 d D U P E 1
H20 H 0.3573 0.7750 0.2697 0.047 Uiso 0.5 1 calc R . P E 1
C19 C 0.3044(8) 0.8898(7) 0.2872(7) 0.042(4) Uani 0.5 1 d D . P E 1
H19 H 0.2530 0.8868 0.2586 0.051 Uiso 0.5 1 calc R . P E 1
C79 C 1.1671(10) 0.1843(8) 0.1251(8) 0.045(2) Uani 0.5 1 d . U P A 2
C80 C 1.2536(9) 0.1671(7) 0.1524(8) 0.042(3) Uani 0.5 1 d . . P A 2
H80 H 1.2987 0.1395 0.1224 0.050 Uiso 0.5 1 calc R . P A 2
C17 C 0.3864(9) 0.9653(8) 0.3653(8) 0.049(3) Uani 0.5 1 d D U P E 1
H17 H 0.3917 1.0101 0.3936 0.059 Uiso 0.5 1 calc R . P E 1
C69 C 0.8975(10) 0.2424(9) 0.2625(7) 0.034(3) Uani 0.5 1 d . . P A 2
H69 H 0.9131 0.1847 0.2778 0.040 Uiso 0.5 1 calc R . P A 2
C23B C 0.5630(5) 0.6165(6) 0.8376(4) 0.046(3) Uani 0.5 1 d . U P F 2
H23B H 0.6214 0.6383 0.8129 0.055 Uiso 0.5 1 calc R . P F 2
C24B C 0.5540(6) 0.5835(8) 0.9152(4) 0.069(4) Uani 0.5 1 d G U P F 2
H24B H 0.6064 0.5827 0.9435 0.083 Uiso 0.5 1 calc R . P F 2
C25B C 0.4686(8) 0.5516(7) 0.9515(3) 0.073(5) Uani 0.5 1 d G U P F 2
H25B H 0.4624 0.5290 1.0045 0.087 Uiso 0.5 1 calc R . P F 2
C26B C 0.3920(6) 0.5528(7) 0.9101(5) 0.064(5) Uani 0.5 1 d G U P F 2
H26B H 0.3336 0.5310 0.9349 0.077 Uiso 0.5 1 calc R . P F 2
C27B C 0.4010(5) 0.5859(7) 0.8325(5) 0.044(4) Uani 0.5 1 d G U P F 2
H27B H 0.3487 0.5867 0.8042 0.052 Uiso 0.5 1 calc R . P F 2
C22B C 0.4865(6) 0.6177(5) 0.7962(3) 0.030(2) Uani 0.5 1 d DG U P F 2
C23 C 0.4324(7) 0.5898(5) 0.8359(5) 0.050(4) Uani 0.5 1 d . U P F 1
H23 H 0.4717 0.5426 0.8314 0.060 Uiso 0.5 1 calc R . P F 1
C24 C 0.3723(7) 0.5907(5) 0.9020(4) 0.045(3) Uani 0.5 1 d G U P F 1
H24 H 0.3706 0.5441 0.9428 0.053 Uiso 0.5 1 calc R . P F 1
C25 C 0.3148(6) 0.6598(6) 0.9085(4) 0.051(3) Uani 0.5 1 d G . P F 1
H25 H 0.2737 0.6605 0.9537 0.061 Uiso 0.5 1 calc R . P F 1
C26 C 0.3174(6) 0.7280(5) 0.8488(5) 0.051(3) Uani 0.5 1 d G . P F 1
H26 H 0.2780 0.7753 0.8532 0.062 Uiso 0.5 1 calc R . P F 1
C27 C 0.3774(6) 0.7271(5) 0.7826(4) 0.048(3) Uani 0.5 1 d G . P F 1
H27 H 0.3792 0.7737 0.7419 0.057 Uiso 0.5 1 calc R . P F 1
C22 C 0.4350(6) 0.6580(6) 0.7762(4) 0.046(3) Uani 0.5 1 d DG . P F 1
C20B C 0.4001(10) 0.8326(10) 0.2530(8) 0.062(4) Uani 0.5 1 d D U P E 2
H20B H 0.4268 0.7946 0.2211 0.075 Uiso 0.5 1 calc R . P E 2
C19B C 0.3192(10) 0.8739(10) 0.2278(9) 0.073(5) Uani 0.5 1 d D U P E 2
H19B H 0.2951 0.8671 0.1816 0.087 Uiso 0.5 1 calc R . P E 2
C16B C 0.4090(9) 0.8950(9) 0.3639(7) 0.066(5) Uani 0.5 1 d D U P E 2
H16B H 0.4358 0.9068 0.4076 0.079 Uiso 0.5 1 calc R . P E 2
C17B C 0.3264(12) 0.9341(11) 0.3409(10) 0.053(6) Uani 0.5 1 d D U P E 2
H17B H 0.2993 0.9718 0.3729 0.064 Uiso 0.5 1 calc R . P E 2
C18B C 0.2780(10) 0.9260(10) 0.2782(9) 0.060(5) Uani 0.5 1 d D U P E 2
H18B H 0.2208 0.9541 0.2702 0.072 Uiso 0.5 1 calc R . P E 2
C69B C 0.8501(11) 0.2505(8) 0.2367(8) 0.038(3) Uani 0.5 1 d . . P A 1
H69B H 0.8551 0.1905 0.2480 0.046 Uiso 0.5 1 calc R . P A 1
C71B C 0.9305(7) 0.2511(8) 0.1004(7) 0.048(3) Uani 0.5 1 d D . P A 1
C72B C 0.8859(11) 0.2561(13) 0.0337(8) 0.038(4) Uani 0.5 1 d D U P A 1
C77B C 0.9279(11) 0.2179(12) -0.0268(12) 0.059(6) Uani 0.5 1 d D . P A 1
C78B C 1.0141(11) 0.1777(13) -0.0215(8) 0.057(4) Uani 0.5 1 d D U P A 1
H78B H 1.0422 0.1519 -0.0624 0.069 Uiso 0.5 1 calc R . P A 1
C77 C 1.0589(12) 0.1806(11) 0.0303(8) 0.047(2) Uani 0.5 1 d D U P A 2
C68 C 0.9401(9) 0.2871(7) 0.1943(7) 0.028(2) Uani 0.5 1 d . . P A 2
C68B C 0.8875(10) 0.2946(7) 0.1651(7) 0.036(3) Uani 0.5 1 d . . P A 1
C67 C 0.9139(10) 0.3698(10) 0.1748(8) 0.031(3) Uani 0.5 1 d . . P A 2
H67 H 0.9410 0.4039 0.1291 0.037 Uiso 0.5 1 calc R . P A 2
C70 C 0.8341(13) 0.2798(14) 0.3075(11) 0.032(4) Uani 0.5 1 d . . P A 2
H70 H 0.8086 0.2487 0.3552 0.038 Uiso 0.5 1 calc R . P A 2
C84 C 1.1000(10) 0.2286(8) 0.1722(8) 0.041(2) Uani 0.5 1 d . U P A 2
C81 C 1.2771(9) 0.1870(8) 0.2179(8) 0.045(3) Uani 0.5 1 d . . P A 2
H81 H 1.3365 0.1734 0.2345 0.053 Uiso 0.5 1 calc R . P A 2
C76B C 0.8894(11) 0.2215(9) -0.0955(8) 0.049(3) Uani 0.5 1 d . U P A 1
H76B H 0.9199 0.1953 -0.1353 0.059 Uiso 0.5 1 calc R . P A 1
C73B C 0.8013(12) 0.2944(10) 0.0219(8) 0.058(4) Uani 0.5 1 d . . P A 1
H73B H 0.7681 0.3175 0.0626 0.070 Uiso 0.5 1 calc R . P A 1
C74B C 0.7639(13) 0.3001(12) -0.0453(10) 0.071(5) Uani 0.5 1 d . U P A 1
H74B H 0.7073 0.3297 -0.0516 0.085 Uiso 0.5 1 calc R . P A 1
C75B C 0.8071(13) 0.2631(13) -0.1057(11) 0.076(5) Uani 0.5 1 d . U P A 1
H75B H 0.7801 0.2667 -0.1525 0.091 Uiso 0.5 1 calc R . P A 1
C82 C 1.2103(9) 0.2291(8) 0.2615(8) 0.045(3) Uani 0.5 1 d . . P A 2
H82 H 1.2251 0.2444 0.3082 0.054 Uiso 0.5 1 calc R . P A 2
C66 C 0.847(2) 0.4027(15) 0.2235(17) 0.035(6) Uani 0.5 1 d . U P A 2
H66 H 0.8321 0.4605 0.2071 0.042 Uiso 0.5 1 calc R . P A 2
C72 C 0.9919(8) 0.2233(8) 0.0740(7) 0.036(3) Uani 0.5 1 d D . P A 2
C75 C 0.9499(10) 0.1783(10) -0.0648(8) 0.057(4) Uani 0.5 1 d D . P A 2
H75 H 0.9376 0.1658 -0.1131 0.069 Uiso 0.5 1 calc R . P A 2
C76 C 1.0361(11) 0.1577(12) -0.0380(9) 0.059(5) Uani 0.5 1 d D . P A 2
H76 H 1.0800 0.1275 -0.0667 0.070 Uiso 0.5 1 calc R . P A 2
C74 C 0.8813(15) 0.2174(17) -0.0208(12) 0.074(7) Uani 0.5 1 d D . P A 2
H74 H 0.8211 0.2280 -0.0369 0.088 Uiso 0.5 1 calc R . P A 2
C73 C 0.9047(12) 0.2405(15) 0.0476(11) 0.043(5) Uani 0.5 1 d D U P A 2
H73 H 0.8597 0.2687 0.0771 0.052 Uiso 0.5 1 calc R . P A 2
C79B C 1.0583(8) 0.1762(9) 0.0452(6) 0.052(3) Uani 0.5 1 d D U P A 1
C84B C 1.0177(6) 0.2129(8) 0.1060(7) 0.049(3) Uani 0.5 1 d DG U P A 1
C83B C 1.0620(7) 0.2087(7) 0.1721(5) 0.051(3) Uani 0.5 1 d G U P A 1
H83B H 1.0342 0.2338 0.2137 0.061 Uiso 0.5 1 calc R . P A 1
C82B C 1.1468(7) 0.1678(7) 0.1774(5) 0.058(3) Uani 0.5 1 d G U P A 1
H82B H 1.1771 0.1649 0.2226 0.070 Uiso 0.5 1 calc R . P A 1
C81B C 1.1875(6) 0.1310(6) 0.1166(6) 0.060(3) Uani 0.5 1 d G U P A 1
H81B H 1.2455 0.1031 0.1202 0.072 Uiso 0.5 1 calc R . P A 1
C80B C 1.1432(8) 0.1352(8) 0.0505(5) 0.054(3) Uani 0.5 1 d G U P A 1
H80B H 1.1710 0.1101 0.0090 0.065 Uiso 0.5 1 calc R . P A 1
C65B C 0.6046(5) 0.9104(5) 0.0066(4) 0.039(3) Uani 0.5 1 d D U P D 2
C52B C 0.5444(6) 0.8477(4) -0.0059(4) 0.029(2) Uani 0.5 1 d G U P D 2
C53B C 0.4982(6) 0.8592(5) -0.0713(5) 0.048(5) Uani 0.5 1 d DG U P D 2
C58B C 0.5121(7) 0.9333(6) -0.1243(4) 0.057(4) Uani 0.5 1 d DG U P D 2
C59B C 0.5723(7) 0.9960(5) -0.1119(5) 0.071(5) Uani 0.5 1 d G U P D 2
H59B H 0.5818 1.0467 -0.1481 0.086 Uiso 0.5 1 calc R . P D 2
C60B C 0.6185(6) 0.9845(4) -0.0465(6) 0.061(4) Uani 0.5 1 d DG U P D 2
C48 C 0.4321(11) 0.7209(10) 0.0540(9) 0.056(4) Uani 0.5 1 d . . P D 1
H48 H 0.3744 0.7330 0.0336 0.067 Uiso 0.5 1 calc R . P D 1
C49 C 0.5163(12) 0.7570(10) 0.0152(10) 0.057(4) Uani 0.5 1 d . . P D 1
C47 C 0.4364(12) 0.6663(10) 0.1239(10) 0.051(4) Uani 0.5 1 d . . P D 1
H47 H 0.3784 0.6447 0.1497 0.061 Uiso 0.5 1 calc R . P D 1
C51 C 0.5886(15) 0.6680(14) 0.1158(13) 0.045(4) Uani 0.5 1 d . U P D 1
H51 H 0.6451 0.6449 0.1326 0.054 Uiso 0.5 1 calc R . P D 1
C50 C 0.5943(17) 0.7276(18) 0.0484(16) 0.052(6) Uani 0.5 1 d . . P D 1
H50 H 0.6538 0.7482 0.0250 0.062 Uiso 0.5 1 calc R . P D 1
N3B N 0.5096(14) 0.6414(13) 0.1579(10) 0.043(5) Uani 0.5 1 d . . P D 1
F8B F 0.2867(7) 0.8882(8) 0.6296(7) 0.067(3) Uani 0.5 1 d D U P C 2
F9B F 0.4175(7) 0.9411(8) 0.6009(10) 0.088(4) Uani 0.5 1 d D U P C 2
F7B F 0.3252(12) 0.9496(8) 0.5168(6) 0.100(4) Uani 0.5 1 d D U P C 2
C93 C 0.9771(7) 0.5695(6) 0.0309(5) 0.074(3) Uani 1 1 d . U . . .
H93 H 0.9616 0.6186 0.0530 0.089 Uiso 1 1 calc R . . . .
C94 C 0.9183(7) 0.5415(7) -0.0127(7) 0.083(3) Uani 1 1 d . U . . .
C92 C 1.0573(8) 0.5301(7) 0.0443(6) 0.086(3) Uani 1 1 d . U . . .
H92 H 1.0977 0.5514 0.0757 0.103 Uiso 1 1 calc R . . . .
C95 C 0.8318(18) 0.5839(17) -0.0218(17) 0.121(9) Uani 0.5 1 d . U P . .
H95A H 0.7870 0.5639 0.0227 0.181 Uiso 0.5 1 calc GR . P . .
H95B H 0.8076 0.5716 -0.0682 0.181 Uiso 0.5 1 calc GR . P . .
H95C H 0.8416 0.6452 -0.0261 0.181 Uiso 0.5 1 calc GR . P . .
C64 C 0.6188(13) 0.7246(12) -0.1288(10) 0.068(4) Uani 0.5 1 d . U P D 1
H64 H 0.6188 0.6828 -0.0842 0.082 Uiso 0.5 1 calc R . P D 1
C52 C 0.5107(11) 0.8207(8) -0.0597(8) 0.057(5) Uani 0.5 1 d D . P D 1
C58 C 0.4552(8) 0.9493(8) -0.1269(5) 0.066(5) Uani 0.5 1 d D . P D 1
C53 C 0.4590(7) 0.8954(6) -0.0577(6) 0.060(4) Uani 0.5 1 d DG . P D 1
C54 C 0.4116(8) 0.9156(6) 0.0089(5) 0.070(5) Uani 0.5 1 d G . P D 1
H54 H 0.4142 0.8788 0.0562 0.084 Uiso 0.5 1 calc R . P D 1
C55 C 0.3604(8) 0.9898(7) 0.0063(7) 0.085(7) Uani 0.5 1 d G . P D 1
H55 H 0.3280 1.0037 0.0518 0.102 Uiso 0.5 1 calc R . P D 1
C56 C 0.3566(9) 1.0438(6) -0.0630(8) 0.096(8) Uani 0.5 1 d G . P D 1
H56 H 0.3216 1.0945 -0.0648 0.115 Uiso 0.5 1 calc R . P D 1
C57 C 0.4040(9) 1.0235(7) -0.1295(6) 0.094(8) Uani 0.5 1 d G . P D 1
H57 H 0.4013 1.0604 -0.1769 0.112 Uiso 0.5 1 calc R . P D 1
C59 C 0.5083(12) 0.9349(13) -0.1942(9) 0.079(8) Uani 0.5 1 d D . P D 1
H59 H 0.5084 0.9755 -0.2396 0.095 Uiso 0.5 1 calc R . P D 1
C60 C 0.5613(13) 0.8608(10) -0.1949(8) 0.073(5) Uani 0.5 1 d D . P D 1
C65 C 0.5628(11) 0.8027(10) -0.1262(6) 0.066(5) Uani 0.5 1 d D . P D 1
C63 C 0.6713(14) 0.7124(13) -0.1963(11) 0.077(5) Uani 0.5 1 d . U P D 1
H63 H 0.7081 0.6630 -0.1977 0.093 Uiso 0.5 1 calc R . P D 1
C61 C 0.6152(15) 0.8472(14) -0.2631(12) 0.084(5) Uani 0.5 1 d . U P D 1
H61 H 0.6144 0.8875 -0.3086 0.100 Uiso 0.5 1 calc R . P D 1
C62 C 0.6693(16) 0.7747(15) -0.2633(13) 0.090(6) Uani 0.5 1 d . U P D 1
H62 H 0.7057 0.7666 -0.3091 0.108 Uiso 0.5 1 calc R . P D 1
C64B C 0.6519(7) 0.9048(8) 0.0714(6) 0.047(3) Uani 0.5 1 d D U P D 2
H64B H 0.6402 0.8569 0.1106 0.056 Uiso 0.5 1 calc R . P D 2
C63B C 0.7153(10) 0.9657(7) 0.0815(9) 0.062(4) Uani 0.5 1 d D U P D 2
H63B H 0.7468 0.9589 0.1263 0.074 Uiso 0.5 1 calc R . P D 2
C62B C 0.7322(12) 1.0369(9) 0.0252(9) 0.083(5) Uani 0.5 1 d D U P D 2
H62B H 0.7759 1.0790 0.0308 0.099 Uiso 0.5 1 calc R . P D 2
C61B C 0.6844(9) 1.0456(8) -0.0390(10) 0.075(5) Uani 0.5 1 d D U P D 2
H61B H 0.6965 1.0933 -0.0782 0.090 Uiso 0.5 1 calc R . P D 2
C56B C 0.4083(11) 0.8820(9) -0.2044(8) 0.074(5) Uani 0.5 1 d D U P D 2
H56B H 0.3770 0.8907 -0.2493 0.089 Uiso 0.5 1 calc R . P D 2
C54B C 0.4388(8) 0.7974(7) -0.0866(7) 0.053(3) Uani 0.5 1 d D U P D 2
H54B H 0.4285 0.7466 -0.0506 0.063 Uiso 0.5 1 calc R . P D 2
C55B C 0.3944(11) 0.8077(10) -0.1524(6) 0.068(4) Uani 0.5 1 d D U P D 2
H55B H 0.3548 0.7642 -0.1619 0.081 Uiso 0.5 1 calc R . P D 2
C57B C 0.4677(12) 0.9431(12) -0.1906(8) 0.071(6) Uani 0.5 1 d D U P D 2
H57B H 0.4787 0.9933 -0.2273 0.085 Uiso 0.5 1 calc R . P D 2
C91 C 1.0680(6) 0.9975(6) 0.5324(6) 0.028(4) Uani 0.5 1 d . . P G -1
H91 H 1.1110 0.9845 0.5694 0.034 Uiso 0.5 1 calc R . P G -1
C90 C 1.0962(5) 1.0467(6) 0.4620(7) 0.048(4) Uani 0.5 1 d G . P G -1
H90 H 1.1585 1.0673 0.4508 0.057 Uiso 0.5 1 calc R . P G -1
C89 C 1.0333(9) 1.0658(7) 0.4079(5) 0.067(8) Uani 0.5 1 d G . P G -1
H89 H 1.0526 1.0994 0.3598 0.080 Uiso 0.5 1 calc R . P G -1
C88 C 0.9421(8) 1.0356(7) 0.4243(6) 0.046(4) Uani 0.5 1 d G . P G -1
H88 H 0.8991 1.0486 0.3873 0.055 Uiso 0.5 1 calc R . P G -1
C87 C 0.9138(5) 0.9864(6) 0.4947(7) 0.043(6) Uani 0.5 1 d G . P G -1
H87 H 0.8515 0.9658 0.5059 0.051 Uiso 0.5 1 calc R . P G -1
C86 C 0.9768(8) 0.9674(6) 0.5488(5) 0.038(3) Uani 0.5 1 d G . P G -1
C85 C 0.9444(16) 0.9139(13) 0.6220(11) 0.060(5) Uani 0.5 1 d . . P G -1
H85A H 0.9517 0.8540 0.6170 0.090 Uiso 0.5 1 calc GR . P G -1
H85B H 0.8786 0.9253 0.6360 0.090 Uiso 0.5 1 calc GR . P G -1
H85C H 0.9813 0.9269 0.6619 0.090 Uiso 0.5 1 calc GR . P G -1
Ag5B Ag 0.7086(3) 0.41585(16) 0.3711(2) 0.0484(7) Uani 0.5 1 d . . P A 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 2.9788(6) . ?
Ag1 Ag3 2.9755(6) . ?
Ag1 Ag4 3.1998(6) 2_666 ?
Ag1 Ag6 3.1610(7) 2_666 ?
Ag1 S2 2.4466(12) . ?
Ag1 S3 2.4709(12) . ?
Ag1 O4 2.444(4) . ?
Ag2 Ag3 2.9437(5) . ?
Ag2 Ag5 3.049(3) . ?
Ag2 Ag6 3.3315(7) . ?
Ag2 S1 2.5095(12) . ?
Ag2 S2 2.4756(12) . ?
Ag2 O5 2.324(4) . ?
Ag3 Ag4 3.0109(6) . ?
Ag3 S1 2.4643(14) . ?
Ag3 S3 2.4872(15) . ?
Ag3 O2 2.381(4) . ?
Ag4 Ag1 3.1998(6) 2_666 ?
Ag4 S1 2.4736(13) . ?
Ag4 S2 2.5898(14) 2_666 ?
Ag4 N2 2.236(4) . ?
Ag5 S2 2.499(4) . ?
Ag5 S3 2.560(4) 2_666 ?
Ag5 N1 2.298(6) . ?
Ag6 Ag1 3.1610(7) 2_666 ?
Ag6 S1 2.5863(13) . ?
Ag6 S3 2.4607(15) 2_666 ?
Ag6 N3 2.127(10) . ?
Ag6 N3B 2.41(2) . ?
S1 C14 1.845(6) . ?
S2 Ag4 2.5898(14) 2_666 ?
S2 C7 1.843(5) . ?
S2 Ag5B 2.509(4) . ?
S3 Ag5 2.560(4) 2_666 ?
S3 Ag6 2.4607(15) 2_666 ?
S3 C21 1.844(6) . ?
S3 Ag5B 2.603(4) 2_666 ?
O1 C3 1.244(7) . ?
O2 C3 1.238(6) . ?
N2 C32 1.341(7) . ?
N2 C28 1.338(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.390(7) . ?
C29 C28 1.386(7) . ?
C31 H31 0.9500 . ?
C31 C30 1.394(7) . ?
C31 C32 1.386(7) . ?
C30 C33 1.495(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.359(8) . ?
C35 C34 1.424(8) . ?
C8 C9 1.388(7) . ?
C8 C7 1.505(7) . ?
C8 C13 1.385(8) . ?
C3 C4 1.527(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.376(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C36 H36 0.9500 . ?
C36 C37 1.429(8) . ?
C33 C34 1.403(7) . ?
C33 C46 1.405(8) . ?
C38 H38 0.9500 . ?
C38 C37 1.346(9) . ?
C38 C39 1.430(8) . ?
C37 H37 0.9500 . ?
C32 H32 0.9500 . ?
C34 C39 1.443(7) . ?
C45 H45 0.9500 . ?
C45 C46 1.434(8) . ?
C45 C44 1.355(9) . ?
C28 H28 0.9500 . ?
C39 C40 1.387(9) . ?
C41 C40 1.378(9) . ?
C41 C46 1.441(8) . ?
C41 C42 1.423(9) . ?
C40 H40 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.388(9) . ?
C21 H21C 0.9900 . ?
C21 H21D 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22B 1.546(9) . ?
C21 C22 1.417(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.485(8) . ?
F9 C4 1.310(7) . ?
C13 H13 0.9500 . ?
C13 C12 1.381(9) . ?
C12 H12 0.9500 . ?
C12 C11 1.378(9) . ?
F8 C4 1.308(8) . ?
C11 H11 0.9500 . ?
C15 C16 1.406(9) . ?
C15 C20 1.355(8) . ?
C15 C20B 1.443(9) . ?
C15 C16B 1.400(8) . ?
C4 F7 1.320(7) . ?
C4 F8B 1.322(7) . ?
C4 F9B 1.319(7) . ?
C4 F7B 1.309(7) . ?
C44 H44 0.9500 . ?
C44 C43 1.421(11) . ?
O3 C5 1.238(7) . ?
O4 C1 1.252(6) . ?
O5 C5 1.242(7) . ?
O6 C1 1.249(7) . ?
F6 C6 1.308(7) . ?
N1 C66B 1.45(2) . ?
N1 C70B 1.20(2) . ?
N1 C70 1.52(2) . ?
N1 C66 1.23(3) . ?
N1 Ag5B 2.168(6) . ?
F5 C6 1.300(7) . ?
C1 C2 1.378(8) . ?
F4 C6 1.360(8) . ?
C5 C6 1.542(9) . ?
N3 C51B 1.3900 . ?
N3 C47B 1.3900 . ?
C51B H51B 0.9500 . ?
C51B C50B 1.3900 . ?
C50B H50B 0.9500 . ?
C50B C49B 1.3900 . ?
C49B C48B 1.3900 . ?
C49B C52B 1.518(9) . ?
C48B H48B 0.9500 . ?
C48B C47B 1.3900 . ?
C47B H47B 0.9500 . ?
C2 F1 1.383(8) . ?
C2 F2 1.328(9) . ?
C2 F3 1.453(8) . ?
C66B H66B 0.9500 . ?
C66B C67B 1.40(3) . ?
C42 H42 0.9500 . ?
C42 C43 1.354(12) . ?
C43 H43 0.9500 . ?
C70B H70B 0.9500 . ?
C70B C69B 1.38(3) . ?
C67B H67B 0.9500 . ?
C67B C68B 1.396(19) . ?
C78 H78 0.9500 . ?
C78 C79 1.33(2) . ?
C78 C77 1.43(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.381(9) . ?
C18 C17 1.388(9) . ?
C83 H83 0.9500 . ?
C83 C84 1.36(2) . ?
C83 C82 1.337(19) . ?
C16 H16 0.9500 . ?
C16 C17 1.398(9) . ?
C71 C68 1.499(15) . ?
C71 C84 1.44(2) . ?
C71 C72 1.416(16) . ?
C20 H20 0.9500 . ?
C20 C19 1.378(9) . ?
C19 H19 0.9500 . ?
C79 C80 1.40(2) . ?
C79 C84 1.469(18) . ?
C80 H80 0.9500 . ?
C80 C81 1.34(2) . ?
C17 H17 0.9500 . ?
C69 H69 0.9500 . ?
C69 C68 1.389(17) . ?
C69 C70 1.35(2) . ?
C23B H23B 0.9500 . ?
C23B C24B 1.3900 . ?
C23B C22B 1.3900 . ?
C24B H24B 0.9500 . ?
C24B C25B 1.3900 . ?
C25B H25B 0.9500 . ?
C25B C26B 1.3900 . ?
C26B H26B 0.9500 . ?
C26B C27B 1.3900 . ?
C27B H27B 0.9500 . ?
C27B C22B 1.3900 . ?
C23 H23 0.9500 . ?
C23 C24 1.3900 . ?
C23 C22 1.3900 . ?
C24 H24 0.9500 . ?
C24 C25 1.3900 . ?
C25 H25 0.9500 . ?
C25 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C22 1.3900 . ?
C20B H20B 0.9500 . ?
C20B C19B 1.417(9) . ?
C19B H19B 0.9500 . ?
C19B C18B 1.406(10) . ?
C16B H16B 0.9500 . ?
C16B C17B 1.411(9) . ?
C17B H17B 0.9500 . ?
C17B C18B 1.403(10) . ?
C18B H18B 0.9500 . ?
C69B H69B 0.9500 . ?
C69B C68B 1.406(18) . ?
C71B C72B 1.402(8) . ?
C71B C68B 1.518(16) . ?
C71B C84B 1.401(8) . ?
C72B C77B 1.405(9) . ?
C72B C73B 1.38(2) . ?
C77B C78B 1.402(9) . ?
C77B C76B 1.39(2) . ?
C78B H78B 0.9500 . ?
C78B C79B 1.404(9) . ?
C77 C72 1.418(9) . ?
C77 C76 1.399(10) . ?
C68 C67 1.37(2) . ?
C67 H67 0.9500 . ?
C67 C66 1.39(3) . ?
C70 H70 0.9500 . ?
C81 H81 0.9500 . ?
C81 C82 1.411(17) . ?
C76B H76B 0.9500 . ?
C76B C75B 1.37(2) . ?
C73B H73B 0.9500 . ?
C73B C74B 1.36(2) . ?
C74B H74B 0.9500 . ?
C74B C75B 1.40(2) . ?
C75B H75B 0.9500 . ?
C82 H82 0.9500 . ?
C66 H66 0.9500 . ?
C72 C73 1.400(10) . ?
C75 H75 0.9500 . ?
C75 C76 1.398(10) . ?
C75 C74 1.405(10) . ?
C76 H76 0.9500 . ?
C74 H74 0.9500 . ?
C74 C73 1.405(10) . ?
C73 H73 0.9500 . ?
C79B C84B 1.3900 . ?
C79B C80B 1.3900 . ?
C84B C83B 1.3900 . ?
C83B H83B 0.9500 . ?
C83B C82B 1.3900 . ?
C82B H82B 0.9500 . ?
C82B C81B 1.3900 . ?
C81B H81B 0.9500 . ?
C81B C80B 1.3900 . ?
C80B H80B 0.9500 . ?
C65B C52B 1.3900 . ?
C65B C60B 1.3900 . ?
C65B C64B 1.394(8) . ?
C52B C53B 1.3900 . ?
C53B C58B 1.3900 . ?
C53B C54B 1.390(8) . ?
C58B C59B 1.3900 . ?
C58B C57B 1.389(8) . ?
C59B H59B 0.9500 . ?
C59B C60B 1.3900 . ?
C60B C61B 1.398(8) . ?
C48 H48 0.9500 . ?
C48 C49 1.41(2) . ?
C48 C47 1.41(2) . ?
C49 C50 1.37(3) . ?
C49 C52 1.55(2) . ?
C47 H47 0.9500 . ?
C47 N3B 1.30(3) . ?
C51 H51 0.9500 . ?
C51 C50 1.40(3) . ?
C51 N3B 1.33(2) . ?
C50 H50 0.9500 . ?
C93 H93 0.9500 . ?
C93 C94 1.336(15) . ?
C93 C92 1.339(14) . ?
C94 C92 1.382(15) 2_765 ?
C94 C95 1.43(3) . ?
C92 C94 1.382(15) 2_765 ?
C92 H92 0.9500 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C64 H64 0.9500 . ?
C64 C65 1.49(2) . ?
C64 C63 1.39(2) . ?
C52 C53 1.406(8) . ?
C52 C65 1.405(9) . ?
C58 C53 1.3900 . ?
C58 C57 1.3900 . ?
C58 C59 1.405(9) . ?
C53 C54 1.3900 . ?
C54 H54 0.9500 . ?
C54 C55 1.3900 . ?
C55 H55 0.9500 . ?
C55 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C57 1.3900 . ?
C57 H57 0.9500 . ?
C59 H59 0.9500 . ?
C59 C60 1.407(9) . ?
C60 C65 1.412(9) . ?
C60 C61 1.42(3) . ?
C63 H63 0.9500 . ?
C63 C62 1.43(3) . ?
C61 H61 0.9500 . ?
C61 C62 1.39(3) . ?
C62 H62 0.9500 . ?
C64B H64B 0.9500 . ?
C64B C63B 1.386(8) . ?
C63B H63B 0.9500 . ?
C63B C62B 1.392(9) . ?
C62B H62B 0.9500 . ?
C62B C61B 1.384(9) . ?
C61B H61B 0.9500 . ?
C56B H56B 0.9500 . ?
C56B C55B 1.383(9) . ?
C56B C57B 1.372(9) . ?
C54B H54B 0.9500 . ?
C54B C55B 1.382(8) . ?
C55B H55B 0.9500 . ?
C57B H57B 0.9500 . ?
C91 H91 0.9500 . ?
C91 C90 1.3900 . ?
C91 C86 1.3900 . ?
C90 H90 0.9500 . ?
C90 C89 1.3900 . ?
C89 H89 0.9500 . ?
C89 C88 1.3900 . ?
C88 H88 0.9500 . ?
C88 C87 1.3900 . ?
C87 H87 0.9500 . ?
C87 C86 1.3900 . ?
C86 C85 1.47(2) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
Ag5B S3 2.603(4) 2_666 ?

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 Ag4 99.873(16) . 2_666 ?
Ag2 Ag1 Ag6 143.79(2) . 2_666 ?
Ag3 Ag1 Ag2 59.258(13) . . ?
Ag3 Ag1 Ag4 137.243(18) . 2_666 ?
Ag3 Ag1 Ag6 99.152(18) . 2_666 ?
Ag6 Ag1 Ag4 75.980(16) 2_666 2_666 ?
S2 Ag1 Ag2 53.20(3) . . ?
S2 Ag1 Ag3 111.11(3) . . ?
S2 Ag1 Ag4 52.56(3) . 2_666 ?
S2 Ag1 Ag6 127.54(3) . 2_666 ?
S2 Ag1 S3 155.21(5) . . ?
S3 Ag1 Ag2 112.00(4) . . ?
S3 Ag1 Ag3 53.37(4) . . ?
S3 Ag1 Ag4 122.56(4) . 2_666 ?
S3 Ag1 Ag6 49.99(4) . 2_666 ?
O4 Ag1 Ag2 126.35(9) . . ?
O4 Ag1 Ag3 122.05(9) . . ?
O4 Ag1 Ag4 100.54(9) . 2_666 ?
O4 Ag1 Ag6 89.39(9) . 2_666 ?
O4 Ag1 S2 107.56(10) . . ?
O4 Ag1 S3 97.20(10) . . ?
Ag1 Ag2 Ag5 99.11(6) . . ?
Ag1 Ag2 Ag6 127.298(18) . . ?
Ag3 Ag2 Ag1 60.314(13) . . ?
Ag3 Ag2 Ag5 137.31(7) . . ?
Ag3 Ag2 Ag6 95.766(16) . . ?
Ag5 Ag2 Ag6 66.04(7) . . ?
S1 Ag2 Ag1 110.25(3) . . ?
S1 Ag2 Ag3 53.01(3) . . ?
S1 Ag2 Ag5 115.42(8) . . ?
S1 Ag2 Ag6 50.18(3) . . ?
S2 Ag2 Ag1 52.31(3) . . ?
S2 Ag2 Ag3 111.28(3) . . ?
S2 Ag2 Ag5 52.55(7) . . ?
S2 Ag2 Ag6 113.32(3) . . ?
S2 Ag2 S1 146.60(5) . . ?
O5 Ag2 Ag1 143.10(10) . . ?
O5 Ag2 Ag3 128.84(9) . . ?
O5 Ag2 Ag5 90.82(12) . . ?
O5 Ag2 Ag6 89.22(10) . . ?
O5 Ag2 S1 96.87(10) . . ?
O5 Ag2 S2 113.05(10) . . ?
Ag1 Ag3 Ag4 133.798(18) . . ?
Ag2 Ag3 Ag1 60.429(13) . . ?
Ag2 Ag3 Ag4 101.763(17) . . ?
S1 Ag3 Ag1 111.69(3) . . ?
S1 Ag3 Ag2 54.42(3) . . ?
S1 Ag3 Ag4 52.57(3) . . ?
S1 Ag3 S3 150.69(4) . . ?
S3 Ag3 Ag1 52.87(3) . . ?
S3 Ag3 Ag2 112.66(3) . . ?
S3 Ag3 Ag4 116.49(3) . . ?
O2 Ag3 Ag1 122.61(10) . . ?
O2 Ag3 Ag2 124.25(10) . . ?
O2 Ag3 Ag4 102.90(10) . . ?
O2 Ag3 S1 109.48(11) . . ?
O2 Ag3 S3 99.34(11) . . ?
Ag3 Ag4 Ag1 88.701(15) . 2_666 ?
S1 Ag4 Ag1 81.00(3) . 2_666 ?
S1 Ag4 Ag3 52.29(3) . . ?
S1 Ag4 S2 116.78(4) . 2_666 ?
S2 Ag4 Ag1 48.60(3) 2_666 2_666 ?
S2 Ag4 Ag3 86.45(3) 2_666 . ?
N2 Ag4 Ag1 128.01(12) . 2_666 ?
N2 Ag4 Ag3 139.11(12) . . ?
N2 Ag4 S1 138.90(12) . . ?
N2 Ag4 S2 104.13(12) . 2_666 ?
S2 Ag5 Ag2 51.86(7) . . ?
S2 Ag5 S3 106.69(15) . 2_666 ?
S3 Ag5 Ag2 87.05(10) 2_666 . ?
N1 Ag5 Ag2 151.1(2) . . ?
N1 Ag5 S2 130.9(2) . . ?
N1 Ag5 S3 114.0(2) . 2_666 ?
Ag1 Ag6 Ag2 88.213(18) 2_666 . ?
S1 Ag6 Ag1 80.14(3) . 2_666 ?
S1 Ag6 Ag2 48.18(3) . . ?
S3 Ag6 Ag1 50.28(3) 2_666 2_666 ?
S3 Ag6 Ag2 82.60(4) 2_666 . ?
S3 Ag6 S1 111.98(5) 2_666 . ?
N3 Ag6 Ag1 138.0(4) . 2_666 ?
N3 Ag6 Ag2 128.7(4) . . ?
N3 Ag6 S1 108.2(4) . . ?
N3 Ag6 S3 139.7(4) . 2_666 ?
N3B Ag6 Ag1 134.0(5) . 2_666 ?
N3B Ag6 Ag2 129.8(5) . . ?
N3B Ag6 S1 105.1(4) . . ?
N3B Ag6 S3 142.2(5) . 2_666 ?
Ag2 S1 Ag6 81.64(4) . . ?
Ag3 S1 Ag2 72.57(4) . . ?
Ag3 S1 Ag4 75.14(4) . . ?
Ag3 S1 Ag6 134.74(5) . . ?
Ag4 S1 Ag2 135.99(6) . . ?
Ag4 S1 Ag6 101.37(5) . . ?
C14 S1 Ag2 107.69(19) . . ?
C14 S1 Ag3 111.2(2) . . ?
C14 S1 Ag4 111.43(18) . . ?
C14 S1 Ag6 111.8(2) . . ?
Ag1 S2 Ag2 74.48(3) . . ?
Ag1 S2 Ag4 78.84(4) . 2_666 ?
Ag1 S2 Ag5 136.11(10) . . ?
Ag1 S2 Ag5B 139.31(10) . . ?
Ag2 S2 Ag4 138.11(5) . 2_666 ?
Ag2 S2 Ag5 75.59(6) . . ?
Ag2 S2 Ag5B 85.60(7) . . ?
Ag5 S2 Ag4 104.09(8) . 2_666 ?
C7 S2 Ag1 107.67(17) . . ?
C7 S2 Ag2 109.75(18) . . ?
C7 S2 Ag4 108.81(18) . 2_666 ?
C7 S2 Ag5 112.3(2) . . ?
C7 S2 Ag5B 112.41(19) . . ?
Ag5B S2 Ag4 94.47(8) . 2_666 ?
Ag1 S3 Ag3 73.76(4) . . ?
Ag1 S3 Ag5 137.35(10) . 2_666 ?
Ag1 S3 Ag5B 140.34(10) . 2_666 ?
Ag3 S3 Ag5 93.13(9) . 2_666 ?
Ag3 S3 Ag5B 85.71(9) . 2_666 ?
Ag6 S3 Ag1 79.73(4) 2_666 . ?
Ag6 S3 Ag3 141.63(5) 2_666 . ?
Ag6 S3 Ag5 87.89(7) 2_666 2_666 ?
Ag6 S3 Ag5B 98.04(8) 2_666 2_666 ?
C21 S3 Ag1 105.5(2) . . ?
C21 S3 Ag3 105.9(2) . . ?
C21 S3 Ag5 117.1(2) . 2_666 ?
C21 S3 Ag6 107.6(2) . 2_666 ?
C21 S3 Ag5B 112.7(2) . 2_666 ?
C3 O2 Ag3 100.9(3) . . ?
C32 N2 Ag4 121.1(3) . . ?
C28 N2 Ag4 120.8(4) . . ?
C28 N2 C32 118.0(4) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0(5) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C32 C31 C30 119.2(5) . . ?
C29 C30 C31 117.3(4) . . ?
C29 C30 C33 120.7(4) . . ?
C31 C30 C33 122.0(4) . . ?
C36 C35 H35 118.9 . . ?
C36 C35 C34 122.1(5) . . ?
C34 C35 H35 118.9 . . ?
C9 C8 C7 120.1(5) . . ?
C13 C8 C9 119.2(5) . . ?
C13 C8 C7 120.7(5) . . ?
O1 C3 C4 114.8(4) . . ?
O2 C3 O1 128.8(5) . . ?
O2 C3 C4 116.3(5) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.5(5) . . ?
C10 C9 H9 119.8 . . ?
S2 C7 H7A 109.4 . . ?
S2 C7 H7B 109.4 . . ?
C8 C7 S2 111.0(3) . . ?
C8 C7 H7A 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.0(5) . . ?
C37 C36 H36 120.0 . . ?
C34 C33 C30 119.8(4) . . ?
C34 C33 C46 120.7(5) . . ?
C46 C33 C30 119.4(5) . . ?
C37 C38 H38 119.0 . . ?
C37 C38 C39 122.1(5) . . ?
C39 C38 H38 119.0 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0(5) . . ?
C38 C37 H37 120.0 . . ?
N2 C32 C31 123.0(5) . . ?
N2 C32 H32 118.5 . . ?
C31 C32 H32 118.5 . . ?
C35 C34 C39 117.7(5) . . ?
C33 C34 C35 123.0(4) . . ?
C33 C34 C39 119.3(5) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C44 C45 C46 120.9(6) . . ?
N2 C28 C29 122.4(5) . . ?
N2 C28 H28 118.8 . . ?
C29 C28 H28 118.8 . . ?
C38 C39 C34 118.2(5) . . ?
C40 C39 C38 122.5(5) . . ?
C40 C39 C34 119.3(5) . . ?
C40 C41 C46 119.9(5) . . ?
C40 C41 C42 121.3(6) . . ?
C42 C41 C46 118.9(6) . . ?
C39 C40 H40 119.1 . . ?
C41 C40 C39 121.8(5) . . ?
C41 C40 H40 119.1 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0(5) . . ?
C11 C10 H10 120.0 . . ?
S3 C21 H21C 108.7 . . ?
S3 C21 H21D 108.7 . . ?
S3 C21 H21A 108.3 . . ?
S3 C21 H21B 108.3 . . ?
H21C C21 H21D 107.6 . . ?
H21A C21 H21B 107.4 . . ?
C22B C21 S3 114.4(5) . . ?
C22B C21 H21C 108.7 . . ?
C22B C21 H21D 108.7 . . ?
C22 C21 S3 115.8(6) . . ?
C22 C21 H21A 108.3 . . ?
C22 C21 H21B 108.3 . . ?
S1 C14 H14A 108.9 . . ?
S1 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 S1 113.4(4) . . ?
C15 C14 H14A 108.9 . . ?
C15 C14 H14B 108.9 . . ?
C33 C46 C45 123.0(5) . . ?
C33 C46 C41 119.0(5) . . ?
C45 C46 C41 117.9(5) . . ?
C8 C13 H13 119.8 . . ?
C12 C13 C8 120.3(5) . . ?
C12 C13 H13 119.8 . . ?
C13 C12 H12 119.9 . . ?
C11 C12 C13 120.3(6) . . ?
C11 C12 H12 119.9 . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.7(6) . . ?
C12 C11 H11 120.2 . . ?
C16 C15 C14 111.2(7) . . ?
C20 C15 C14 128.6(7) . . ?
C20 C15 C16 119.1(10) . . ?
C20B C15 C14 114.0(7) . . ?
C16B C15 C14 133.1(6) . . ?
C16B C15 C20B 112.9(7) . . ?
F9 C4 C3 113.0(6) . . ?
F9 C4 F7 105.0(8) . . ?
F8 C4 C3 111.2(7) . . ?
F8 C4 F9 108.0(11) . . ?
F8 C4 F7 107.8(10) . . ?
F7 C4 C3 111.6(6) . . ?
F8B C4 C3 113.4(7) . . ?
F9B C4 C3 113.8(6) . . ?
F9B C4 F8B 102.1(9) . . ?
F7B C4 C3 114.2(7) . . ?
F7B C4 F8B 106.4(10) . . ?
F7B C4 F9B 105.8(11) . . ?
C45 C44 H44 119.6 . . ?
C45 C44 C43 120.7(7) . . ?
C43 C44 H44 119.6 . . ?
C1 O4 Ag1 102.2(3) . . ?
C5 O5 Ag2 108.6(4) . . ?
C66B N1 Ag5 110.5(10) . . ?
C70B N1 Ag5 125.0(10) . . ?
C70B N1 C66B 121.1(14) . . ?
C70 N1 Ag5B 113.3(8) . . ?
C66 N1 C70 110.5(14) . . ?
C66 N1 Ag5B 135.4(12) . . ?
O4 C1 C2 118.3(5) . . ?
O6 C1 O4 124.2(5) . . ?
O6 C1 C2 117.4(5) . . ?
O3 C5 O5 129.9(5) . . ?
O3 C5 C6 116.9(5) . . ?
O5 C5 C6 113.2(5) . . ?
C51B N3 Ag6 121.5(7) . . ?
C51B N3 C47B 120.0 . . ?
C47B N3 Ag6 113.1(7) . . ?
N3 C51B H51B 120.0 . . ?
N3 C51B C50B 120.0 . . ?
C50B C51B H51B 120.0 . . ?
C51B C50B H50B 120.0 . . ?
C51B C50B C49B 120.0 . . ?
C49B C50B H50B 120.0 . . ?
C50B C49B C52B 119.1(7) . . ?
C48B C49B C50B 120.0 . . ?
C48B C49B C52B 120.6(7) . . ?
C49B C48B H48B 120.0 . . ?
C49B C48B C47B 120.0 . . ?
C47B C48B H48B 120.0 . . ?
N3 C47B H47B 120.0 . . ?
C48B C47B N3 120.0 . . ?
C48B C47B H47B 120.0 . . ?
C1 C2 F1 119.2(5) . . ?
C1 C2 F3 114.6(6) . . ?
F1 C2 F3 96.7(6) . . ?
F2 C2 C1 118.2(6) . . ?
F2 C2 F1 102.9(6) . . ?
F2 C2 F3 101.7(6) . . ?
N1 C66B H66B 122.0 . . ?
C67B C66B N1 116.0(17) . . ?
C67B C66B H66B 122.0 . . ?
F6 C6 F4 101.6(6) . . ?
F6 C6 C5 115.1(5) . . ?
F5 C6 F6 109.3(6) . . ?
F5 C6 F4 105.7(6) . . ?
F5 C6 C5 112.6(5) . . ?
F4 C6 C5 111.6(5) . . ?
C41 C42 H42 119.5 . . ?
C43 C42 C41 121.0(7) . . ?
C43 C42 H42 119.5 . . ?
C44 C43 H43 119.8 . . ?
C42 C43 C44 120.5(7) . . ?
C42 C43 H43 119.8 . . ?
N1 C70B H70B 117.5 . . ?
N1 C70B C69B 125.0(16) . . ?
C69B C70B H70B 117.5 . . ?
C66B C67B H67B 119.0 . . ?
C68B C67B C66B 122.0(15) . . ?
C68B C67B H67B 119.0 . . ?
C79 C78 H78 118.2 . . ?
C79 C78 C77 123.6(14) . . ?
C77 C78 H78 118.2 . . ?
C19 C18 H18 120.4 . . ?
C19 C18 C17 119.3(14) . . ?
C17 C18 H18 120.4 . . ?
C84 C83 H83 118.4 . . ?
C82 C83 H83 118.4 . . ?
C82 C83 C84 123.2(11) . . ?
C15 C16 H16 118.8 . . ?
C17 C16 C15 122.4(12) . . ?
C17 C16 H16 118.8 . . ?
C84 C71 C68 116.7(11) . . ?
C72 C71 C68 122.9(11) . . ?
C72 C71 C84 120.3(11) . . ?
C15 C20 H20 121.4 . . ?
C15 C20 C19 117.3(11) . . ?
C19 C20 H20 121.4 . . ?
C18 C19 H19 118.1 . . ?
C20 C19 C18 123.7(13) . . ?
C20 C19 H19 118.1 . . ?
C78 C79 C80 122.5(13) . . ?
C78 C79 C84 121.2(15) . . ?
C80 C79 C84 116.2(13) . . ?
C79 C80 H80 117.9 . . ?
C81 C80 C79 124.2(11) . . ?
C81 C80 H80 117.9 . . ?
C18 C17 C16 116.6(13) . . ?
C18 C17 H17 121.7 . . ?
C16 C17 H17 121.7 . . ?
C68 C69 H69 119.5 . . ?
C70 C69 H69 119.5 . . ?
C70 C69 C68 121.0(15) . . ?
C24B C23B H23B 120.0 . . ?
C24B C23B C22B 120.0 . . ?
C22B C23B H23B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C23B C24B C25B 120.0 . . ?
C25B C24B H24B 120.0 . . ?
C24B C25B H25B 120.0 . . ?
C26B C25B C24B 120.0 . . ?
C26B C25B H25B 120.0 . . ?
C25B C26B H26B 120.0 . . ?
C27B C26B C25B 120.0 . . ?
C27B C26B H26B 120.0 . . ?
C26B C27B H27B 120.0 . . ?
C26B C27B C22B 120.0 . . ?
C22B C27B H27B 120.0 . . ?
C23B C22B C21 118.6(6) . . ?
C27B C22B C21 121.3(6) . . ?
C27B C22B C23B 120.0 . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C22 C27 C26 120.0 . . ?
C22 C27 H27 120.0 . . ?
C23 C22 C21 118.6(6) . . ?
C27 C22 C21 121.4(6) . . ?
C27 C22 C23 120.0 . . ?
C15 C20B H20B 114.3 . . ?
C19B C20B C15 131.4(11) . . ?
C19B C20B H20B 114.3 . . ?
C20B C19B H19B 123.4 . . ?
C18B C19B C20B 113.2(7) . . ?
C18B C19B H19B 123.4 . . ?
C15 C16B H16B 122.0 . . ?
C15 C16B C17B 116.1(8) . . ?
C17B C16B H16B 122.0 . . ?
C16B C17B H17B 115.0 . . ?
C18B C17B C16B 130.0(12) . . ?
C18B C17B H17B 115.0 . . ?
C19B C18B H18B 122.0 . . ?
C17B C18B C19B 116.1(8) . . ?
C17B C18B H18B 122.0 . . ?
C70B C69B H69B 120.1 . . ?
C70B C69B C68B 119.7(13) . . ?
C68B C69B H69B 120.1 . . ?
C72B C71B C68B 119.2(10) . . ?
C84B C71B C72B 121.3(11) . . ?
C84B C71B C68B 119.3(12) . . ?
C71B C72B C77B 118.7(15) . . ?
C73B C72B C71B 125.5(12) . . ?
C73B C72B C77B 115.7(12) . . ?
C78B C77B C72B 120.7(18) . . ?
C76B C77B C72B 122.4(14) . . ?
C76B C77B C78B 116.8(14) . . ?
C77B C78B H78B 120.4 . . ?
C77B C78B C79B 119.1(14) . . ?
C79B C78B H78B 120.4 . . ?
C72 C77 C78 117.0(12) . . ?
C76 C77 C78 123.9(12) . . ?
C76 C77 C72 119.1(14) . . ?
C69 C68 C71 121.6(11) . . ?
C67 C68 C71 121.6(11) . . ?
C67 C68 C69 116.8(11) . . ?
C67B C68B C69B 115.6(11) . . ?
C67B C68B C71B 120.8(11) . . ?
C69B C68B C71B 123.5(11) . . ?
C68 C67 H67 120.8 . . ?
C68 C67 C66 118.5(15) . . ?
C66 C67 H67 120.8 . . ?
N1 C70 H70 119.1 . . ?
C69 C70 N1 121.8(17) . . ?
C69 C70 H70 119.1 . . ?
C83 C84 C71 125.8(12) . . ?
C83 C84 C79 117.8(13) . . ?
C71 C84 C79 116.4(13) . . ?
C80 C81 H81 121.2 . . ?
C80 C81 C82 117.6(13) . . ?
C82 C81 H81 121.2 . . ?
C77B C76B H76B 120.1 . . ?
C75B C76B C77B 119.8(13) . . ?
C75B C76B H76B 120.1 . . ?
C72B C73B H73B 118.8 . . ?
C74B C73B C72B 122.5(14) . . ?
C74B C73B H73B 118.8 . . ?
C73B C74B H74B 119.3 . . ?
C73B C74B C75B 121.3(18) . . ?
C75B C74B H74B 119.3 . . ?
C76B C75B C74B 118.2(17) . . ?
C76B C75B H75B 120.9 . . ?
C74B C75B H75B 120.9 . . ?
C83 C82 C81 121.0(14) . . ?
C83 C82 H82 119.5 . . ?
C81 C82 H82 119.5 . . ?
N1 C66 C67 131.4(19) . . ?
N1 C66 H66 114.3 . . ?
C67 C66 H66 114.3 . . ?
C71 C72 C77 121.3(12) . . ?
C73 C72 C71 119.8(12) . . ?
C73 C72 C77 118.9(13) . . ?
C76 C75 H75 119.7 . . ?
C76 C75 C74 120.5(16) . . ?
C74 C75 H75 119.7 . . ?
C77 C76 H76 119.4 . . ?
C75 C76 C77 121.1(15) . . ?
C75 C76 H76 119.4 . . ?
C75 C74 H74 121.0 . . ?
C75 C74 C73 117.9(18) . . ?
C73 C74 H74 121.0 . . ?
C72 C73 C74 122.3(17) . . ?
C72 C73 H73 118.8 . . ?
C74 C73 H73 118.8 . . ?
C84B C79B C78B 121.2(9) . . ?
C84B C79B C80B 120.0 . . ?
C80B C79B C78B 118.8(9) . . ?
C79B C84B C71B 118.9(10) . . ?
C83B C84B C71B 121.0(10) . . ?
C83B C84B C79B 120.0 . . ?
C84B C83B H83B 120.0 . . ?
C84B C83B C82B 120.0 . . ?
C82B C83B H83B 120.0 . . ?
C83B C82B H82B 120.0 . . ?
C81B C82B C83B 120.0 . . ?
C81B C82B H82B 120.0 . . ?
C82B C81B H81B 120.0 . . ?
C82B C81B C80B 120.0 . . ?
C80B C81B H81B 120.0 . . ?
C79B C80B H80B 120.0 . . ?
C81B C80B C79B 120.0 . . ?
C81B C80B H80B 120.0 . . ?
C52B C65B C60B 120.0 . . ?
C52B C65B C64B 123.6(8) . . ?
C60B C65B C64B 116.4(8) . . ?
C65B C52B C49B 117.7(6) . . ?
C53B C52B C49B 122.2(6) . . ?
C53B C52B C65B 120.0 . . ?
C52B C53B C54B 121.8(8) . . ?
C58B C53B C52B 120.0 . . ?
C58B C53B C54B 118.2(8) . . ?
C53B C58B C59B 120.0 . . ?
C57B C58B C53B 119.5(11) . . ?
C57B C58B C59B 120.4(11) . . ?
C58B C59B H59B 120.0 . . ?
C60B C59B C58B 120.0 . . ?
C60B C59B H59B 120.0 . . ?
C65B C60B C61B 121.4(10) . . ?
C59B C60B C65B 120.0 . . ?
C59B C60B C61B 118.4(10) . . ?
C49 C48 H48 121.1 . . ?
C47 C48 H48 121.1 . . ?
C47 C48 C49 117.7(15) . . ?
C48 C49 C52 117.5(14) . . ?
C50 C49 C48 114.2(17) . . ?
C50 C49 C52 128.2(18) . . ?
C48 C47 H47 115.8 . . ?
N3B C47 C48 128.4(16) . . ?
N3B C47 H47 115.8 . . ?
C50 C51 H51 117.7 . . ?
N3B C51 H51 117.7 . . ?
N3B C51 C50 125(2) . . ?
C49 C50 C51 121.7(19) . . ?
C49 C50 H50 119.1 . . ?
C51 C50 H50 119.1 . . ?
C47 N3B Ag6 131.1(12) . . ?
C47 N3B C51 112.5(18) . . ?
C51 N3B Ag6 116.4(16) . . ?
C94 C93 H93 119.1 . . ?
C94 C93 C92 121.7(10) . . ?
C92 C93 H93 119.1 . . ?
C93 C94 C92 117.9(9) . 2_765 ?
C93 C94 C95 119.0(16) . . ?
C92 C94 C95 123.0(16) 2_765 . ?
C93 C92 C94 120.4(10) . 2_765 ?
C93 C92 H92 119.8 . . ?
C94 C92 H92 119.8 2_765 . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C65 C64 H64 119.8 . . ?
C63 C64 H64 119.8 . . ?
C63 C64 C65 120.3(17) . . ?
C53 C52 C49 119.4(11) . . ?
C65 C52 C49 117.4(10) . . ?
C65 C52 C53 123.1(12) . . ?
C53 C58 C57 120.0 . . ?
C53 C58 C59 121.8(12) . . ?
C57 C58 C59 118.0(12) . . ?
C58 C53 C52 116.8(9) . . ?
C58 C53 C54 120.0 . . ?
C54 C53 C52 123.2(9) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 120.0 . . ?
C57 C56 H56 120.0 . . ?
C58 C57 H57 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 H57 120.0 . . ?
C58 C59 H59 119.8 . . ?
C58 C59 C60 120.5(16) . . ?
C60 C59 H59 119.8 . . ?
C59 C60 C65 118.9(16) . . ?
C59 C60 C61 120.0(13) . . ?
C65 C60 C61 121.1(17) . . ?
C52 C65 C64 123.6(12) . . ?
C52 C65 C60 118.7(14) . . ?
C60 C65 C64 117.7(13) . . ?
C64 C63 H63 120.3 . . ?
C64 C63 C62 119(2) . . ?
C62 C63 H63 120.3 . . ?
C60 C61 H61 120.0 . . ?
C62 C61 C60 119.9(19) . . ?
C62 C61 H61 120.0 . . ?
C63 C62 H62 119.2 . . ?
C61 C62 C63 122(2) . . ?
C61 C62 H62 119.2 . . ?
C65B C64B H64B 118.4 . . ?
C63B C64B C65B 123.1(12) . . ?
C63B C64B H64B 118.4 . . ?
C64B C63B H63B 120.4 . . ?
C64B C63B C62B 119.2(15) . . ?
C62B C63B H63B 120.4 . . ?
C63B C62B H62B 120.4 . . ?
C61B C62B C63B 119.2(16) . . ?
C61B C62B H62B 120.4 . . ?
C60B C61B H61B 119.8 . . ?
C62B C61B C60B 120.5(15) . . ?
C62B C61B H61B 119.8 . . ?
C55B C56B H56B 120.2 . . ?
C57B C56B H56B 120.2 . . ?
C57B C56B C55B 119.5(15) . . ?
C53B C54B H54B 119.0 . . ?
C55B C54B C53B 122.0(12) . . ?
C55B C54B H54B 119.0 . . ?
C56B C55B H55B 120.4 . . ?
C54B C55B C56B 119.1(14) . . ?
C54B C55B H55B 120.4 . . ?
C58B C57B H57B 119.2 . . ?
C56B C57B C58B 121.6(15) . . ?
C56B C57B H57B 119.2 . . ?
C90 C91 H91 120.0 . . ?
C90 C91 C86 120.0 . . ?
C86 C91 H91 120.0 . . ?
C91 C90 H90 120.0 . . ?
C91 C90 C89 120.0 . . ?
C89 C90 H90 120.0 . . ?
C90 C89 H89 120.0 . . ?
C88 C89 C90 120.0 . . ?
C88 C89 H89 120.0 . . ?
C89 C88 H88 120.0 . . ?
C89 C88 C87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C88 C87 H87 120.0 . . ?
C86 C87 C88 120.0 . . ?
C86 C87 H87 120.0 . . ?
C91 C86 C85 121.8(13) . . ?
C87 C86 C91 120.0 . . ?
C87 C86 C85 118.2(13) . . ?
C86 C85 H85A 109.5 . . ?
C86 C85 H85B 109.5 . . ?
C86 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
S2 Ag5B S3 105.08(14) . 2_666 ?
N1 Ag5B S2 137.7(2) . . ?
N1 Ag5B S3 117.1(2) . 2_666 ?

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 S2 C7 C8 -171.3(3) . . . . ?
Ag1 S3 C21 C22B -104.9(5) . . . . ?
Ag1 S3 C21 C22 -149.9(5) . . . . ?
Ag1 O4 C1 O6 6.6(6) . . . . ?
Ag1 O4 C1 C2 -171.9(4) . . . . ?
Ag2 S1 C14 C15 -160.1(4) . . . . ?
Ag2 S2 C7 C8 -91.9(4) . . . . ?
Ag2 O5 C5 O3 -5.3(7) . . . . ?
Ag2 O5 C5 C6 174.6(4) . . . . ?
Ag3 S1 C14 C15 -82.5(5) . . . . ?
Ag3 S3 C21 C22B 178.0(4) . . . . ?
Ag3 S3 C21 C22 132.9(6) . . . . ?
Ag3 O2 C3 O1 0.5(7) . . . . ?
Ag3 O2 C3 C4 179.2(4) . . . . ?
Ag4 S1 C14 C15 -0.7(5) . . . . ?
Ag4 S2 C7 C8 104.8(4) 2_666 . . . ?
Ag4 N2 C32 C31 174.7(4) . . . . ?
Ag4 N2 C28 C29 -174.0(4) . . . . ?
Ag5 S2 C7 C8 -9.9(4) . . . . ?
Ag5 S3 C21 C22B 75.8(5) 2_666 . . . ?
Ag5 S3 C21 C22 30.8(7) 2_666 . . . ?
Ag5 N1 C66B C67B -168.1(16) . . . . ?
Ag5 N1 C70B C69B 166.5(13) . . . . ?
Ag5 N1 C70 C69 -174.5(11) . . . . ?
Ag5 N1 C66 C67 173(2) . . . . ?
Ag6 S1 C14 C15 112.0(4) . . . . ?
Ag6 S3 C21 C22B -21.0(5) 2_666 . . . ?
Ag6 S3 C21 C22 -66.0(6) 2_666 . . . ?
Ag6 N3 C51B C50B -152.3(9) . . . . ?
Ag6 N3 C47B C48B 154.4(8) . . . . ?
S1 C14 C15 C16 113.0(8) . . . . ?
S1 C14 C15 C20 -54.8(10) . . . . ?
S1 C14 C15 C20B -86.1(9) . . . . ?
S1 C14 C15 C16B 93.1(12) . . . . ?
S3 C21 C22B C23B 122.8(6) . . . . ?
S3 C21 C22B C27B -58.1(7) . . . . ?
S3 C21 C22 C23 73.6(7) . . . . ?
S3 C21 C22 C27 -107.9(7) . . . . ?
O1 C3 C4 F9 -153.4(7) . . . . ?
O1 C3 C4 F8 85.0(11) . . . . ?
O1 C3 C4 F7 -35.4(8) . . . . ?
O1 C3 C4 F8B 45.4(9) . . . . ?
O1 C3 C4 F9B 161.6(9) . . . . ?
O1 C3 C4 F7B -76.8(11) . . . . ?
O2 C3 C4 F9 27.7(9) . . . . ?
O2 C3 C4 F8 -93.9(11) . . . . ?
O2 C3 C4 F7 145.8(7) . . . . ?
O2 C3 C4 F8B -133.5(8) . . . . ?
O2 C3 C4 F9B -17.3(11) . . . . ?
O2 C3 C4 F7B 104.4(11) . . . . ?
C29 C30 C33 C34 -72.7(6) . . . . ?
C29 C30 C33 C46 105.3(6) . . . . ?
C31 C30 C33 C34 107.7(6) . . . . ?
C31 C30 C33 C46 -74.2(6) . . . . ?
C30 C29 C28 N2 -1.0(8) . . . . ?
C30 C31 C32 N2 -0.5(8) . . . . ?
C30 C33 C34 C35 -3.4(7) . . . . ?
C30 C33 C34 C39 176.5(4) . . . . ?
C30 C33 C46 C45 1.4(8) . . . . ?
C30 C33 C46 C41 -178.0(5) . . . . ?
C35 C36 C37 C38 1.6(8) . . . . ?
C35 C34 C39 C38 2.3(7) . . . . ?
C35 C34 C39 C40 -178.3(5) . . . . ?
C8 C9 C10 C11 0.5(9) . . . . ?
C8 C13 C12 C11 0.3(9) . . . . ?
C9 C8 C7 S2 -89.0(5) . . . . ?
C9 C8 C13 C12 0.0(8) . . . . ?
C9 C10 C11 C12 -0.2(10) . . . . ?
C7 C8 C9 C10 178.4(5) . . . . ?
C7 C8 C13 C12 -178.7(5) . . . . ?
C36 C35 C34 C33 178.5(5) . . . . ?
C36 C35 C34 C39 -1.4(7) . . . . ?
C33 C34 C39 C38 -177.6(5) . . . . ?
C33 C34 C39 C40 1.8(7) . . . . ?
C38 C39 C40 C41 178.9(5) . . . . ?
C37 C38 C39 C34 -1.3(8) . . . . ?
C37 C38 C39 C40 179.2(5) . . . . ?
C32 N2 C28 C29 1.4(8) . . . . ?
C32 C31 C30 C29 1.0(7) . . . . ?
C32 C31 C30 C33 -179.5(5) . . . . ?
C34 C35 C36 C37 -0.6(8) . . . . ?
C34 C33 C46 C45 179.4(5) . . . . ?
C34 C33 C46 C41 0.1(8) . . . . ?
C34 C39 C40 C41 -0.6(8) . . . . ?
C45 C44 C43 C42 1.4(14) . . . . ?
C28 N2 C32 C31 -0.7(8) . . . . ?
C28 C29 C30 C31 -0.3(8) . . . . ?
C28 C29 C30 C33 -179.8(5) . . . . ?
C39 C38 C37 C36 -0.7(8) . . . . ?
C41 C42 C43 C44 -0.9(14) . . . . ?
C40 C41 C46 C33 1.2(8) . . . . ?
C40 C41 C46 C45 -178.2(6) . . . . ?
C40 C41 C42 C43 179.1(8) . . . . ?
C14 C15 C16 C17 179.2(11) . . . . ?
C14 C15 C20 C19 -177.7(9) . . . . ?
C14 C15 C20B C19B 178.6(16) . . . . ?
C14 C15 C16B C17B -176.3(12) . . . . ?
C46 C33 C34 C35 178.5(5) . . . . ?
C46 C33 C34 C39 -1.6(7) . . . . ?
C46 C45 C44 C43 -0.5(11) . . . . ?
C46 C41 C40 C39 -0.9(9) . . . . ?
C46 C41 C42 C43 -0.6(12) . . . . ?
C13 C8 C9 C10 -0.4(8) . . . . ?
C13 C8 C7 S2 89.7(5) . . . . ?
C13 C12 C11 C10 -0.2(10) . . . . ?
C15 C16 C17 C18 2(2) . . . . ?
C15 C20 C19 C18 -11(2) . . . . ?
C15 C20B C19B C18B -3(3) . . . . ?
C15 C16B C17B C18B -1(3) . . . . ?
C44 C45 C46 C33 179.6(6) . . . . ?
C44 C45 C46 C41 -1.0(9) . . . . ?
O3 C5 C6 F6 4.7(8) . . . . ?
O3 C5 C6 F5 -121.4(6) . . . . ?
O3 C5 C6 F4 119.8(6) . . . . ?
O4 C1 C2 F1 -1.0(8) . . . . ?
O4 C1 C2 F2 -127.2(6) . . . . ?
O4 C1 C2 F3 112.9(6) . . . . ?
O5 C5 C6 F6 -175.2(6) . . . . ?
O5 C5 C6 F5 58.6(7) . . . . ?
O5 C5 C6 F4 -60.1(7) . . . . ?
O6 C1 C2 F1 -179.7(5) . . . . ?
O6 C1 C2 F2 54.1(8) . . . . ?
O6 C1 C2 F3 -65.8(7) . . . . ?
N1 C66B C67B C68B 4(3) . . . . ?
N1 C70B C69B C68B -6(3) . . . . ?
N3 C51B C50B C49B 0.0 . . . . ?
C51B N3 C47B C48B 0.0 . . . . ?
C51B C50B C49B C48B 0.0 . . . . ?
C51B C50B C49B C52B 173.8(9) . . . . ?
C50B C49B C48B C47B 0.0 . . . . ?
C50B C49B C52B C65B -64.5(8) . . . . ?
C50B C49B C52B C53B 113.7(7) . . . . ?
C49B C48B C47B N3 0.0 . . . . ?
C49B C52B C53B C58B -178.2(7) . . . . ?
C49B C52B C53B C54B 0.6(10) . . . . ?
C48B C49B C52B C65B 109.3(8) . . . . ?
C48B C49B C52B C53B -72.5(9) . . . . ?
C47B N3 C51B C50B 0.0 . . . . ?
C66B N1 C70B C69B 9(3) . . . . ?
C66B N1 C70 C69 2(2) . . . . ?
C66B N1 C66 C67 -156(12) . . . . ?
C66B C67B C68B C69B -1(3) . . . . ?
C66B C67B C68B C71B 175.9(18) . . . . ?
C42 C41 C40 C39 179.4(6) . . . . ?
C42 C41 C46 C33 -179.1(6) . . . . ?
C42 C41 C46 C45 1.5(9) . . . . ?
C70B N1 C66B C67B -8(3) . . . . ?
C70B N1 C70 C69 88(5) . . . . ?
C70B N1 C66 C67 -18(4) . . . . ?
C70B C69B C68B C67B 1(2) . . . . ?
C70B C69B C68B C71B -175.3(15) . . . . ?
C78 C79 C80 C81 178.4(14) . . . . ?
C78 C79 C84 C83 -178.2(13) . . . . ?
C78 C79 C84 C71 2.5(19) . . . . ?
C78 C77 C72 C71 -2(2) . . . . ?
C78 C77 C72 C73 179.4(17) . . . . ?
C78 C77 C76 C75 -176.8(17) . . . . ?
C16 C15 C20 C19 15.3(15) . . . . ?
C16 C15 C20B C19B -25(3) . . . . ?
C16 C15 C16B C17B 140(3) . . . . ?
C71 C68 C67 C66 179.0(17) . . . . ?
C71 C72 C73 C74 -179(2) . . . . ?
C20 C15 C16 C17 -11.6(18) . . . . ?
C20 C15 C20B C19B 52.3(19) . . . . ?
C20 C15 C16B C17B -20.8(16) . . . . ?
C19 C18 C17 C16 3(2) . . . . ?
C79 C78 C77 C72 4(2) . . . . ?
C79 C78 C77 C76 -177.3(17) . . . . ?
C79 C80 C81 C82 -1(2) . . . . ?
C80 C79 C84 C83 -1.0(18) . . . . ?
C80 C79 C84 C71 179.8(11) . . . . ?
C80 C81 C82 C83 0.3(19) . . . . ?
C17 C18 C19 C20 2(2) . . . . ?
C69 C68 C67 C66 -1(2) . . . . ?
C23B C24B C25B C26B 0.0 . . . . ?
C24B C23B C22B C21 179.2(7) . . . . ?
C24B C23B C22B C27B 0.0 . . . . ?
C24B C25B C26B C27B 0.0 . . . . ?
C25B C26B C27B C22B 0.0 . . . . ?
C26B C27B C22B C21 -179.2(7) . . . . ?
C26B C27B C22B C23B 0.0 . . . . ?
C22B C21 C22 C23 -24.5(7) . . . . ?
C22B C21 C22 C27 154.0(11) . . . . ?
C22B C23B C24B C25B 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C23 C22 C21 178.5(9) . . . . ?
C24 C23 C22 C27 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C22 0.0 . . . . ?
C26 C27 C22 C21 -178.5(9) . . . . ?
C26 C27 C22 C23 0.0 . . . . ?
C22 C21 C22B C23B -135.4(10) . . . . ?
C22 C21 C22B C27B 43.8(8) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C20B C15 C16 C17 23(2) . . . . ?
C20B C15 C20 C19 -107.4(19) . . . . ?
C20B C15 C16B C17B 3(2) . . . . ?
C20B C19B C18B C17B 5(2) . . . . ?
C16B C15 C16 C17 -33.4(17) . . . . ?
C16B C15 C20 C19 25.2(13) . . . . ?
C16B C15 C20B C19B -1(2) . . . . ?
C16B C17B C18B C19B -3(3) . . . . ?
C71B C72B C77B C78B -2(3) . . . . ?
C71B C72B C77B C76B -178.6(16) . . . . ?
C71B C72B C73B C74B 177.2(17) . . . . ?
C71B C84B C83B C82B 177.7(12) . . . . ?
C72B C71B C68B C67B -63(2) . . . . ?
C72B C71B C68B C69B 112.8(18) . . . . ?
C72B C71B C84B C79B -2.9(18) . . . . ?
C72B C71B C84B C83B 179.4(12) . . . . ?
C72B C77B C78B C79B 0(3) . . . . ?
C72B C77B C76B C75B 0(3) . . . . ?
C72B C73B C74B C75B 4(3) . . . . ?
C77B C72B C73B C74B -4(3) . . . . ?
C77B C78B C79B C84B 1(2) . . . . ?
C77B C78B C79B C80B 179.2(15) . . . . ?
C77B C76B C75B C74B -1(3) . . . . ?
C78B C77B C76B C75B -177.2(18) . . . . ?
C78B C79B C84B C71B 0.8(15) . . . . ?
C78B C79B C84B C83B 178.5(16) . . . . ?
C78B C79B C80B C81B -178.5(15) . . . . ?
C77 C78 C79 C80 178.8(14) . . . . ?
C77 C78 C79 C84 -4(2) . . . . ?
C77 C72 C73 C74 0(3) . . . . ?
C68 C71 C84 C83 -2.8(18) . . . . ?
C68 C71 C84 C79 176.3(10) . . . . ?
C68 C71 C72 C77 -176.2(12) . . . . ?
C68 C71 C72 C73 2(2) . . . . ?
C68 C69 C70 N1 3(2) . . . . ?
C68 C67 C66 N1 -1(4) . . . . ?
C68B C71B C72B C77B 178.0(16) . . . . ?
C68B C71B C72B C73B -4(3) . . . . ?
C68B C71B C84B C79B -177.5(9) . . . . ?
C68B C71B C84B C83B 4.8(16) . . . . ?
C70 N1 C66B C67B 15(3) . . . . ?
C70 N1 C70B C69B -98(5) . . . . ?
C70 N1 C66 C67 3(4) . . . . ?
C70 C69 C68 C71 179.5(14) . . . . ?
C70 C69 C68 C67 -1(2) . . . . ?
C84 C83 C82 C81 0(2) . . . . ?
C84 C71 C68 C69 -70.5(15) . . . . ?
C84 C71 C68 C67 109.8(14) . . . . ?
C84 C71 C72 C77 1.0(18) . . . . ?
C84 C71 C72 C73 179.3(15) . . . . ?
C84 C79 C80 C81 1.2(19) . . . . ?
C76B C77B C78B C79B 176.8(17) . . . . ?
C73B C72B C77B C78B 179.6(18) . . . . ?
C73B C72B C77B C76B 3(3) . . . . ?
C73B C74B C75B C76B -1(3) . . . . ?
C82 C83 C84 C71 179.7(12) . . . . ?
C82 C83 C84 C79 0.5(19) . . . . ?
C66 N1 C66B C67B 38(8) . . . . ?
C66 N1 C70B C69B -2(2) . . . . ?
C66 N1 C70 C69 -4(2) . . . . ?
C72 C71 C68 C69 106.7(15) . . . . ?
C72 C71 C68 C67 -73.0(16) . . . . ?
C72 C71 C84 C83 179.9(12) . . . . ?
C72 C71 C84 C79 -1.0(17) . . . . ?
C72 C77 C76 C75 2(3) . . . . ?
C75 C74 C73 C72 -2(4) . . . . ?
C76 C77 C72 C71 179.0(15) . . . . ?
C76 C77 C72 C73 1(2) . . . . ?
C76 C75 C74 C73 5(3) . . . . ?
C74 C75 C76 C77 -5(3) . . . . ?
C79B C84B C83B C82B 0.0 . . . . ?
C84B C71B C72B C77B 3(3) . . . . ?
C84B C71B C72B C73B -178.2(16) . . . . ?
C84B C71B C68B C67B 111.3(16) . . . . ?
C84B C71B C68B C69B -72.5(19) . . . . ?
C84B C79B C80B C81B 0.0 . . . . ?
C84B C83B C82B C81B 0.0 . . . . ?
C83B C82B C81B C80B 0.0 . . . . ?
C82B C81B C80B C79B 0.0 . . . . ?
C80B C79B C84B C71B -177.7(12) . . . . ?
C80B C79B C84B C83B 0.0 . . . . ?
C65B C52B C53B C58B 0.0 . . . . ?
C65B C52B C53B C54B 178.8(10) . . . . ?
C65B C60B C61B C62B -5.5(18) . . . . ?
C65B C64B C63B C62B 1.0(19) . . . . ?
C52B C49B C48B C47B -173.7(9) . . . . ?
C52B C65B C60B C59B 0.0 . . . . ?
C52B C65B C60B C61B -174.5(10) . . . . ?
C52B C65B C64B C63B 176.7(9) . . . . ?
C52B C53B C58B C59B 0.0 . . . . ?
C52B C53B C58B C57B 178.1(11) . . . . ?
C52B C53B C54B C55B -178.4(11) . . . . ?
C53B C58B C59B C60B 0.0 . . . . ?
C53B C58B C57B C56B 2(2) . . . . ?
C53B C54B C55B C56B -1(2) . . . . ?
C58B C53B C54B C55B 0.4(16) . . . . ?
C58B C59B C60B C65B 0.0 . . . . ?
C58B C59B C60B C61B 174.7(10) . . . . ?
C59B C58B C57B C56B 179.7(13) . . . . ?
C59B C60B C61B C62B 179.9(11) . . . . ?
C60B C65B C52B C49B 178.3(7) . . . . ?
C60B C65B C52B C53B 0.0 . . . . ?
C60B C65B C64B C63B -4.8(14) . . . . ?
C48 C49 C50 C51 -1(3) . . . . ?
C48 C49 C52 C53 60(2) . . . . ?
C48 C49 C52 C65 -123.4(17) . . . . ?
C48 C47 N3B Ag6 171.6(13) . . . . ?
C48 C47 N3B C51 -5(3) . . . . ?
C49 C48 C47 N3B -2(3) . . . . ?
C49 C52 C53 C58 -178.9(12) . . . . ?
C49 C52 C53 C54 0(2) . . . . ?
C49 C52 C65 C64 3(2) . . . . ?
C49 C52 C65 C60 -178.1(15) . . . . ?
C47 C48 C49 C50 6(3) . . . . ?
C47 C48 C49 C52 -176.9(14) . . . . ?
C50 C49 C52 C53 -123(2) . . . . ?
C50 C49 C52 C65 54(3) . . . . ?
C50 C51 N3B Ag6 -167.2(16) . . . . ?
C50 C51 N3B C47 10(3) . . . . ?
N3B C51 C50 C49 -8(3) . . . . ?
C94 C93 C92 C94 0.1(16) . . . 2_765 ?
C92 C93 C94 C92 -0.1(16) . . . 2_765 ?
C92 C93 C94 C95 177.0(15) . . . . ?
C64 C63 C62 C61 -1(3) . . . . ?
C52 C49 C50 C51 -178.4(16) . . . . ?
C52 C53 C54 C55 -178.7(14) . . . . ?
C58 C53 C54 C55 0.0 . . . . ?
C58 C59 C60 C65 -2(3) . . . . ?
C58 C59 C60 C61 -179.6(16) . . . . ?
C53 C52 C65 C64 179.1(15) . . . . ?
C53 C52 C65 C60 -2(2) . . . . ?
C53 C58 C57 C56 0.0 . . . . ?
C53 C58 C59 C60 6(2) . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C54 C55 C56 C57 0.0 . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C57 C58 C53 C52 178.8(13) . . . . ?
C57 C58 C53 C54 0.0 . . . . ?
C57 C58 C59 C60 -179.9(13) . . . . ?
C59 C58 C53 C52 -6.7(15) . . . . ?
C59 C58 C53 C54 174.5(14) . . . . ?
C59 C58 C57 C56 -174.7(13) . . . . ?
C59 C60 C65 C64 179.5(15) . . . . ?
C59 C60 C65 C52 0(2) . . . . ?
C59 C60 C61 C62 178.6(18) . . . . ?
C60 C61 C62 C63 1(3) . . . . ?
C65 C64 C63 C62 -1(3) . . . . ?
C65 C52 C53 C58 5(2) . . . . ?
C65 C52 C53 C54 -176.3(12) . . . . ?
C65 C60 C61 C62 1(3) . . . . ?
C63 C64 C65 C52 -177.8(16) . . . . ?
C63 C64 C65 C60 3(2) . . . . ?
C61 C60 C65 C64 -3(2) . . . . ?
C61 C60 C65 C52 177.8(16) . . . . ?
C64B C65B C52B C49B -3.3(10) . . . . ?
C64B C65B C52B C53B 178.4(9) . . . . ?
C64B C65B C60B C59B -178.5(8) . . . . ?
C64B C65B C60B C61B 7.0(11) . . . . ?
C64B C63B C62B C61B 1(2) . . . . ?
C63B C62B C61B C60B 1(2) . . . . ?
C54B C53B C58B C59B -178.8(10) . . . . ?
C54B C53B C58B C57B -0.7(12) . . . . ?
C55B C56B C57B C58B -2(3) . . . . ?
C57B C58B C59B C60B -178.1(11) . . . . ?
C57B C56B C55B C54B 2(2) . . . . ?
C91 C90 C89 C88 0.0 . . . . ?
C90 C91 C86 C87 0.0 . . . . ?
C90 C91 C86 C85 178.9(16) . . . . ?
C90 C89 C88 C87 0.0 . . . . ?
C89 C88 C87 C86 0.0 . . . . ?
C88 C87 C86 C91 0.0 . . . . ?
C88 C87 C86 C85 -179.0(16) . . . . ?
C86 C91 C90 C89 0.0 . . . . ?
Ag5B S2 C7 C8 1.5(4) . . . . ?
Ag5B S3 C21 C22B 86.0(5) 2_666 . . . ?
Ag5B S3 C21 C22 40.9(6) 2_666 . . . ?
Ag5B N1 C66B C67B -167.5(14) . . . . ?
Ag5B N1 C70B C69B 170.3(14) . . . . ?
Ag5B N1 C70 C69 -175.7(13) . . . . ?
Ag5B N1 C66 C67 171.8(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.701
_oxdiff_exptl_absorpt_empirical_full_min 0.259
####################################################################### 
# 
# 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_nc_5
_database_code_depnum_ccdc_archive 'CCDC 1855161'
_audit_update_record             
;
2018-07-11 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;
# end Validation Reply Form
_audit_creation_date             2018-04-16
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.07.14 svn.r3447 for OlexSys, GUI svn.r5367)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C240 H180 Ag12 F18 N6 O12 S6, 2(C H2 Cl2), 2(H2 O)'
_chemical_formula_sum            'C242 H188 Ag12 Cl4 F18 N6 O14 S6'
_chemical_formula_weight         5374.57
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N S F Ag'
_chemical_oxdiff_usercomment     st
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   13.8919(3)
_cell_length_b                   22.5494(5)
_cell_length_c                   23.6604(5)
_cell_angle_alpha                117.081(2)
_cell_angle_beta                 95.897(2)
_cell_angle_gamma                95.497(2)
_cell_volume                     6478.6(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    34350
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      73.6980
_cell_measurement_theta_min      3.6280
_shelx_estimated_absorpt_T_max   0.429
_shelx_estimated_absorpt_T_min   0.383
_exptl_absorpt_coefficient_mu    8.479
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56713
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2684
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            60990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        66.000
_diffrn_reflns_theta_max         74.031
_diffrn_reflns_theta_min         3.627
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00  33.00   0.50    0.50    --    0.00 -82.00 -90.00  132
  2  ω    -33.00  32.00   0.50    0.50    --    0.00 -82.00 120.00  130
  3  ω    -32.00  33.00   0.50    0.50    --    0.00 -82.00   0.00  130
  4  ω      5.00 106.00   0.50    0.50    --   94.60 -30.00   0.00  202
  5  ω    126.00 184.00   0.50    0.50    --   94.60   0.00 120.00  116
  6  ω     60.00 128.00   0.50    0.50    --   94.60 -82.00   0.00  136
  7  ω     36.00 112.00   0.50    0.50    --   94.60 -82.00-180.00  152
  8  ω     20.00 110.00   0.50    0.50    --   94.60 -82.00  90.00  180
  9  ω     11.00 128.00   0.50    0.50    --   94.60 -82.00 -90.00  234
 10  ω      5.00 105.00   0.50    0.50    --   94.60 -30.00  90.00  200
 11  ω      5.00  40.00   0.50    0.50    --   94.60 -82.00   0.00   70
 12  ω      7.00 118.00   0.50    0.50    --   94.60 -61.00 -90.00  222
 13  ω      6.00  91.00   0.50    0.50    --   94.60 -61.00-180.00  170
 14  ω      6.00  32.00   0.50    0.50    --   94.60 -82.00-180.00   52
 15  ω      5.00 112.00   0.50    0.50    --   94.60   0.00 120.00  214
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0009373000
_diffrn_orient_matrix_UB_12      -0.0283720000
_diffrn_orient_matrix_UB_13      -0.0727128000
_diffrn_orient_matrix_UB_21      -0.0790465000
_diffrn_orient_matrix_UB_22      -0.0598221000
_diffrn_orient_matrix_UB_23      -0.0138137000
_diffrn_orient_matrix_UB_31      -0.0806886000
_diffrn_orient_matrix_UB_32      0.0407535000
_diffrn_orient_matrix_UB_33      -0.0044543000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                22307
_reflns_number_total             25100
_reflns_odcompleteness_completeness 98.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.400
_refine_diff_density_min         -1.542
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1462
_refine_ls_number_reflns         25100
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0406
_refine_ls_restrained_S_all      1.043
_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)+(0.0584P)²+8.4422P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1102
_refine_ls_wR_factor_ref         0.1128
_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 O(H,H) groups
2. Restrained distances
 F7A-C6 \\sim F7-C6 \\sim F8A-C6 \\sim F8-C6 \\sim F9A-C6 \\sim F9-C6
 with sigma of 0.01
 F1A-C16 \\sim F2-C16 \\sim F2A-C16 \\sim F3-C16 \\sim F3A-C16 \\sim F1-C16
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F7A \\sim F7 \\sim F8A \\sim F8 \\sim F9A \\sim F9: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
Ag1 \\sim Ag1A: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
F1 \\sim F1A \\sim F2 \\sim F2A \\sim F3 \\sim F3A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C122) \\sim Ueq, Uanis(F9A) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F2) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(O7W) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F1) \\sim Ueq, Uanis(F1A) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F2A)
\\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F3A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
4. Others
 Sof(F9A)=Sof(F8A)=Sof(F7A)=1-FVAR(1)
 Sof(F9)=Sof(F7)=Sof(F8)=FVAR(1)
 Sof(Ag1A)=1-FVAR(2)
 Sof(Ag1)=FVAR(2)
 Sof(F2A)=Sof(F1A)=Sof(F3A)=1-FVAR(3)
 Sof(F3)=Sof(F2)=Sof(F1)=FVAR(3)
 Fixed Sof: Cl1(0.5) Cl2(0.5) Cl3(0.5) Cl4(0.5) C121(0.5) H12a(0.5) H12b(0.5)
 C122(0.5) H12c(0.5) H12d(0.5) O7(0.85) H7a(0.85) H7b(0.85) O7W(0.15)
 H7Wa(0.15) H7Wb(0.15)
5.a Riding coordinates:
 O7(H7a,H7b), O7W(H7Wa,H7Wb)
5.b Secondary CH2 refined with riding coordinates:
 C28(H28a,H28b), C70(H70a,H70b), C100(H10a,H10b), C121(H12a,H12b), C122(H12c,
 H12d)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C15(H15), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25),
  C26(H26), C27(H27), C29(H29), C30(H30), C31(H31), C32(H32), C34(H34),
 C35(H35), C37(H37), C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C48(H48),
  C50(H50), C51(H51), C52(H52), C54(H54), C58(H58), C59(H59), C60(H60),
 C62(H62), C63(H63), C64(H64), C65(H65), C67(H67), C68(H68), C71(H71), C73(H73),
  C74(H74), C76(H76), C78(H78), C79(H79), C81(H81), C82(H82), C83(H83),
 C84(H84), C85(H85), C89(H89), C91(H91), C92(H92), C93(H93), C94(H94), C95(H95),
  C96(H96), C97(H97), C98(H98), C99(H99), C101(H101), C102(H102), C104(H104),
 C105(H105), C106(H106), C107(H107), C108(H108), C109(H109), C110(H110),
 C111(H111), C112(H112), C113(H113), C114(H114), C115(H115), C116(H116),
 C117(H117), C118(H118), C119(H119), C120(H120)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag2 Ag 0.36046(2) -0.00636(2) 0.42256(2) 0.02895(6) Uani 1 1 d . . . . .
Ag5 Ag 0.34518(2) -0.07682(2) 0.49996(2) 0.03333(7) Uani 1 1 d . . . . .
Ag4 Ag 0.47514(2) -0.11216(2) 0.40505(2) 0.03360(7) Uani 1 1 d . . . . .
Ag3 Ag 0.52481(2) 0.08444(2) 0.39049(2) 0.03564(7) Uani 1 1 d . . . . .
Ag6 Ag 0.66384(2) -0.06206(2) 0.36474(2) 0.04060(8) Uani 1 1 d . . . . .
Ag1 Ag 0.34227(15) 0.13533(13) 0.5153(2) 0.0420(3) Uani 0.824(17) 1 d . U P A 1
S2 S 0.48732(6) -0.03933(4) 0.35361(4) 0.02649(15) Uani 1 1 d . . . . .
S1 S 0.28310(6) 0.02844(4) 0.51980(4) 0.02759(16) Uani 1 1 d . . . . .
S3 S 0.47665(6) -0.14778(4) 0.48839(4) 0.02767(16) Uani 1 1 d . . . . .
F6 F 0.1648(3) 0.04551(19) 0.25741(16) 0.0844(10) Uani 1 1 d . . . . .
F4 F 0.0750(2) -0.03282(15) 0.26295(19) 0.0940(13) Uani 1 1 d . . . . .
F5 F 0.0683(2) 0.07065(19) 0.32362(19) 0.0903(11) Uani 1 1 d . . . . .
F9 F 0.1655(9) -0.2161(5) 0.5995(7) 0.077(3) Uani 0.478(14) 1 d D U P B 1
F3 F 0.4550(4) -0.3352(2) 0.2118(2) 0.0945(18) Uani 0.795(8) 1 d D U P C 1
F7 F 0.0602(6) -0.1956(7) 0.5456(5) 0.078(3) Uani 0.478(14) 1 d D U P B 1
F2 F 0.5516(8) -0.2713(3) 0.1890(2) 0.127(3) Uani 0.795(8) 1 d D U P C 1
F8 F 0.1170(9) -0.1262(4) 0.6425(5) 0.079(3) Uani 0.478(14) 1 d D U P B 1
F1 F 0.6086(6) -0.3237(3) 0.2375(3) 0.123(3) Uani 0.795(8) 1 d D U P C 1
O4 O 0.29134(18) -0.09459(13) 0.61288(12) 0.0347(5) Uani 1 1 d . . . . .
O3 O 0.21683(18) -0.14742(14) 0.50968(12) 0.0384(6) Uani 1 1 d . . . . .
O2 O 0.2241(2) -0.02520(14) 0.34346(13) 0.0415(6) Uani 1 1 d . . . . .
O6 O 0.6172(2) -0.19265(14) 0.32611(14) 0.0460(6) Uani 1 1 d . . . . .
O1 O 0.2540(2) 0.08733(14) 0.38703(13) 0.0466(7) Uani 1 1 d . . . . .
O5 O 0.4548(2) -0.22066(15) 0.31119(14) 0.0511(7) Uani 1 1 d . . . . .
N2 N 0.5041(2) 0.14544(14) 0.33888(13) 0.0300(6) Uani 1 1 d . . . . .
N1 N 0.7454(2) -0.08202(17) 0.28383(14) 0.0362(7) Uani 1 1 d . . . . .
N3 N 0.2596(2) 0.22185(15) 0.54357(17) 0.0378(7) Uani 1 1 d . . . . .
C1 C 0.2257(3) -0.13342(17) 0.56714(18) 0.0321(7) Uani 1 1 d . . . . .
C2 C 0.2102(3) 0.03060(18) 0.34864(17) 0.0334(7) Uani 1 1 d . . . . .
C3 C 0.5761(3) 0.15846(18) 0.31039(16) 0.0311(7) Uani 1 1 d . . . . .
H3 H 0.6346 0.1424 0.3134 0.037 Uiso 1 1 calc R . . . .
C4 C 0.4973(2) 0.27906(17) 0.14715(16) 0.0295(7) Uani 1 1 d . . . . .
H4 H 0.5216 0.2656 0.1087 0.035 Uiso 1 1 calc R . . . .
C5 C 0.5367(3) -0.22820(19) 0.29606(19) 0.0420(9) Uani 1 1 d . . . . .
C6 C 0.1433(3) -0.16810(18) 0.58674(17) 0.0463(10) Uani 1 1 d D . . . .
C7 C -0.2187(3) 0.5555(2) 0.5604(2) 0.0524(12) Uani 1 1 d . . . . .
H7 H -0.1776 0.5772 0.5445 0.063 Uiso 1 1 calc R . . . .
C8 C 0.4000(6) 0.5436(3) 0.0479(3) 0.0769(18) Uani 1 1 d . . . . .
H8 H 0.3863 0.5663 0.0244 0.092 Uiso 1 1 calc R . . . .
C9 C 0.3201(4) 0.2402(2) -0.0324(2) 0.0576(12) Uani 1 1 d . . . . .
H9 H 0.2647 0.2071 -0.0509 0.069 Uiso 1 1 calc R . . . .
C10 C 0.4211(2) 0.31588(17) 0.25944(16) 0.0294(7) Uani 1 1 d . . . . .
H10 H 0.3937 0.3280 0.2967 0.035 Uiso 1 1 calc R . . . .
C11 C 0.4225(3) -0.27190(17) 0.48439(17) 0.0356(8) Uani 1 1 d . . . . .
C12 C 0.1260(3) 0.0275(2) 0.2987(2) 0.0474(10) Uani 1 1 d . . . . .
C13 C -0.3827(4) 0.5138(3) 0.5661(3) 0.087(2) Uani 1 1 d . . . . .
H13 H -0.4503 0.5086 0.5549 0.104 Uiso 1 1 calc R . . . .
C14 C -0.1678(3) 0.74461(17) 0.72829(17) 0.0318(7) Uani 1 1 d . . . . .
H14 H -0.2134 0.7546 0.7562 0.038 Uiso 1 1 calc R . . . .
C15 C 0.3260(5) 0.5001(3) 0.0502(3) 0.0779(17) Uani 1 1 d . . . . .
H15 H 0.2629 0.4928 0.0283 0.093 Uiso 1 1 calc R . . . .
C16 C 0.5380(4) -0.2892(3) 0.2332(3) 0.0775(17) Uani 1 1 d D . . . .
C17 C 0.4691(2) 0.25946(16) 0.23685(16) 0.0269(6) Uani 1 1 d . . . . .
C18 C -0.3210(4) 0.5445(2) 0.5422(3) 0.078(2) Uani 1 1 d . . . . .
H18 H -0.3473 0.5584 0.5133 0.094 Uiso 1 1 calc R . . . .
C19 C 0.4805(2) 0.22005(16) 0.27189(15) 0.0272(6) Uani 1 1 d . . . . .
C20 C 0.0331(3) 0.1098(4) 0.6381(2) 0.076(2) Uani 1 1 d . . . . .
H20 H 0.0213 0.1110 0.6766 0.092 Uiso 1 1 calc R . . . .
C21 C 0.0208(3) 0.1563(3) 0.5657(4) 0.078(2) Uani 1 1 d . . . . .
H21 H 0.0000 0.1887 0.5553 0.093 Uiso 1 1 calc R . . . .
C22 C 0.5670(2) 0.19443(17) 0.27697(16) 0.0296(7) Uani 1 1 d . . . . .
H22 H 0.6186 0.2018 0.2576 0.035 Uiso 1 1 calc R . . . .
C23 C 0.5108(3) -0.29070(18) 0.49639(19) 0.0409(9) Uani 1 1 d . . . . .
H23 H 0.5643 -0.2816 0.4793 0.049 Uiso 1 1 calc R . . . .
C24 C 0.4395(4) -0.3377(2) 0.5588(2) 0.0549(12) Uani 1 1 d . . . . .
H24 H 0.4455 -0.3602 0.5833 0.066 Uiso 1 1 calc R . . . .
C25 C 0.7760(3) -0.0322(2) 0.27029(16) 0.0369(8) Uani 1 1 d . . . . .
H25 H 0.7605 0.0104 0.2949 0.044 Uiso 1 1 calc R . . . .
C26 C 0.3526(4) -0.3191(2) 0.5472(2) 0.0536(11) Uani 1 1 d . . . . .
H26 H 0.2993 -0.3283 0.5643 0.064 Uiso 1 1 calc R . . . .
C27 C 0.5065(2) 0.24153(17) 0.17973(16) 0.0281(7) Uani 1 1 d . . . . .
H27 H 0.5379 0.2040 0.1633 0.034 Uiso 1 1 calc R . . . .
C28 C 0.4106(3) -0.23589(18) 0.44472(18) 0.0397(8) Uani 1 1 d . . . . .
H28A H 0.3415 -0.2356 0.4338 0.048 Uiso 1 1 calc R . . . .
H28B H 0.4357 -0.2601 0.4049 0.048 Uiso 1 1 calc R . . . .
C29 C 0.1814(3) 0.30667(18) 0.61934(18) 0.0343(7) Uani 1 1 d . . . . .
H29 H 0.1686 0.3291 0.6612 0.041 Uiso 1 1 calc R . . . .
C30 C 0.5198(4) -0.3231(2) 0.5338(2) 0.0519(11) Uani 1 1 d . . . . .
H30 H 0.5797 -0.3351 0.5423 0.062 Uiso 1 1 calc R . . . .
C31 C 0.3424(3) -0.2862(2) 0.5096(2) 0.0457(10) Uani 1 1 d . . . . .
H31 H 0.2825 -0.2740 0.5015 0.055 Uiso 1 1 calc R . . . .
C32 C 0.0044(4) 0.1579(3) 0.6221(3) 0.085(2) Uani 1 1 d . . . . .
H32 H -0.0264 0.1918 0.6501 0.102 Uiso 1 1 calc R . . . .
C33 C 0.9306(2) -0.13298(16) -0.09589(15) 0.0261(6) Uani 1 1 d . . . . .
C34 C -0.3443(4) 0.4906(3) 0.6067(3) 0.0803(19) Uani 1 1 d . . . . .
H34 H -0.3858 0.4690 0.6224 0.096 Uiso 1 1 calc R . . . .
C35 C 0.3484(4) 0.4670(3) 0.0867(3) 0.0627(13) Uani 1 1 d . . . . .
H35 H 0.2994 0.4365 0.0879 0.075 Uiso 1 1 calc R . . . .
C36 C -0.0249(2) 0.48483(16) 0.61362(17) 0.0301(7) Uani 1 1 d . . . . .
C37 C 0.4923(5) 0.5541(2) 0.0789(3) 0.0687(16) Uani 1 1 d . . . . .
H37 H 0.5419 0.5822 0.0751 0.082 Uiso 1 1 calc R . . . .
C38 C 1.0351(2) -0.13608(16) -0.07684(15) 0.0271(6) Uani 1 1 d . . . . .
C39 C 0.9061(2) -0.11678(18) 0.12878(15) 0.0310(7) Uani 1 1 d . . . . .
C40 C 0.9066(3) -0.07363(17) 0.10112(16) 0.0319(7) Uani 1 1 d . . . . .
H40 H 0.8731 -0.0371 0.1171 0.038 Uiso 1 1 calc R . . . .
C41 C -0.1297(2) 0.68537(17) 0.70957(16) 0.0290(7) Uani 1 1 d . . . . .
H41 H -0.1504 0.6555 0.7247 0.035 Uiso 1 1 calc R . . . .
C42 C -0.1386(3) 0.78957(17) 0.70565(17) 0.0331(7) Uani 1 1 d . . . . .
H42 H -0.1651 0.8291 0.7178 0.040 Uiso 1 1 calc R . . . .
C43 C -0.0718(3) 0.54504(17) 0.62413(16) 0.0298(7) Uani 1 1 d . . . . .
C44 C 0.3985(3) -0.0118(2) 0.22394(18) 0.0386(8) Uani 1 1 d . . . . .
H44 H 0.3456 0.0005 0.2455 0.046 Uiso 1 1 calc R . . . .
C45 C 1.1568(3) -0.1480(2) -0.21714(18) 0.0374(8) Uani 1 1 d . . . . .
H45 H 1.1469 -0.1735 -0.2617 0.045 Uiso 1 1 calc R . . . .
C46 C 0.0978(2) 0.05814(19) 0.53950(18) 0.0360(8) Uani 1 1 d . . . . .
C47 C 1.1650(2) -0.16505(18) -0.01731(16) 0.0306(7) Uani 1 1 d . . . . .
C48 C 0.4066(3) 0.20598(18) 0.30171(17) 0.0315(7) Uani 1 1 d . . . . .
H48 H 0.3474 0.2216 0.2997 0.038 Uiso 1 1 calc R . . . .
C49 C 0.0807(3) 0.37756(17) 0.58794(17) 0.0313(7) Uani 1 1 d . . . . .
C50 C 1.0902(3) -0.16015(18) -0.18210(16) 0.0323(7) Uani 1 1 d . . . . .
H50 H 1.0348 -0.1928 -0.2037 0.039 Uiso 1 1 calc R . . . .
C51 C 0.9070(3) -0.08597(16) -0.11577(16) 0.0300(7) Uani 1 1 d . . . . .
H51 H 0.9571 -0.0577 -0.1189 0.036 Uiso 1 1 calc R . . . .
C52 C 0.9559(3) -0.08434(17) 0.05051(15) 0.0307(7) Uani 1 1 d . . . . .
H52 H 0.9550 -0.0549 0.0329 0.037 Uiso 1 1 calc R . . . .
C53 C 0.4525(2) 0.33648(17) 0.17054(16) 0.0295(7) Uani 1 1 d . . . . .
C54 C 0.7572(3) -0.17242(18) -0.11048(17) 0.0332(7) Uani 1 1 d . . . . .
H54 H 0.7069 -0.2022 -0.1096 0.040 Uiso 1 1 calc R . . . .
C55 C 0.8524(2) -0.10474(19) 0.18305(16) 0.0313(7) Uani 1 1 d . . . . .
C56 C 0.4482(2) -0.06005(18) 0.22853(15) 0.0304(7) Uani 1 1 d . . . . .
C57 C 1.0071(2) -0.13856(18) 0.02516(16) 0.0308(7) Uani 1 1 d . . . . .
C58 C 1.1967(3) -0.2167(2) -0.06784(18) 0.0381(8) Uani 1 1 d . . . . .
H58 H 1.1564 -0.2393 -0.1078 0.046 Uiso 1 1 calc R . . . .
C59 C 0.4207(3) 0.16927(18) 0.33394(17) 0.0322(7) Uani 1 1 d . . . . .
H59 H 0.3700 0.1605 0.3533 0.039 Uiso 1 1 calc R . . . .
C60 C 0.4848(3) 0.33811(19) 0.02245(18) 0.0390(8) Uani 1 1 d . . . . .
H60 H 0.5406 0.3709 0.0407 0.047 Uiso 1 1 calc R . . . .
C61 C 0.0925(3) 0.61730(16) 0.66128(17) 0.0293(7) Uani 1 1 d . . . . .
C62 C 0.8210(3) -0.1562(2) 0.19774(17) 0.0352(8) Uani 1 1 d . . . . .
H62 H 0.8350 -0.1994 0.1737 0.042 Uiso 1 1 calc R . . . .
C63 C 0.8294(3) -0.04129(19) 0.22168(16) 0.0341(7) Uani 1 1 d . . . . .
H63 H 0.8499 -0.0050 0.2147 0.041 Uiso 1 1 calc R . . . .
C64 C 0.0935(3) 0.43186(16) 0.64921(17) 0.0299(7) Uani 1 1 d . . . . .
H64 H 0.1376 0.4328 0.6821 0.036 Uiso 1 1 calc R . . . .
C65 C 0.8535(2) -0.17727(17) -0.09471(16) 0.0296(7) Uani 1 1 d . . . . .
H65 H 0.8675 -0.2102 -0.0832 0.036 Uiso 1 1 calc R . . . .
C66 C 0.1418(3) 0.32344(16) 0.57283(17) 0.0312(7) Uani 1 1 d . . . . .
C67 C -0.0294(3) 0.71608(17) 0.64779(16) 0.0306(7) Uani 1 1 d . . . . .
H67 H 0.0192 0.7075 0.6221 0.037 Uiso 1 1 calc R . . . .
C68 C 0.7348(3) -0.12338(19) -0.12773(17) 0.0341(7) Uani 1 1 d . . . . .
H68 H 0.6697 -0.1193 -0.1370 0.041 Uiso 1 1 calc R . . . .
C69 C 1.0661(2) -0.14654(17) -0.02625(16) 0.0294(7) Uani 1 1 d . . . . .
C70 C 0.4194(3) -0.09085(19) 0.27016(16) 0.0355(8) Uani 1 1 d . . . . .
H70A H 0.4342 -0.1364 0.2527 0.043 Uiso 1 1 calc R . . . .
H70B H 0.3494 -0.0931 0.2706 0.043 Uiso 1 1 calc R . . . .
C71 C 0.4138(3) 0.35380(17) 0.22727(17) 0.0310(7) Uani 1 1 d . . . . .
H71 H 0.3826 0.3915 0.2437 0.037 Uiso 1 1 calc R . . . .
C72 C 1.1054(2) -0.12435(17) -0.11550(16) 0.0285(7) Uani 1 1 d . . . . .
C73 C 0.2397(3) 0.25671(18) 0.60328(19) 0.0370(8) Uani 1 1 d . . . . .
H73 H 0.2662 0.2469 0.6352 0.044 Uiso 1 1 calc R . . . .
C74 C 0.2211(3) 0.23718(19) 0.4985(2) 0.0391(8) Uani 1 1 d . . . . .
H74 H 0.2337 0.2132 0.4568 0.047 Uiso 1 1 calc R . . . .
C75 C -0.0608(2) 0.66977(16) 0.66847(15) 0.0264(6) Uani 1 1 d . . . . .
C76 C 1.1870(3) -0.07356(19) -0.08453(17) 0.0359(8) Uani 1 1 d . . . . .
H76 H 1.1977 -0.0482 -0.0399 0.043 Uiso 1 1 calc R . . . .
C77 C -0.0162(2) 0.60748(16) 0.64993(16) 0.0285(7) Uani 1 1 d . . . . .
C78 C 0.5265(3) -0.0784(2) 0.19591(18) 0.0405(9) Uani 1 1 d . . . . .
H78 H 0.5602 -0.1112 0.1980 0.049 Uiso 1 1 calc R . . . .
C79 C -0.0442(3) 0.42739(18) 0.55329(18) 0.0365(8) Uani 1 1 d . . . . .
H79 H -0.0933 0.4242 0.5218 0.044 Uiso 1 1 calc R . . . .
C80 C 0.4210(3) 0.33168(18) 0.06194(17) 0.0351(8) Uani 1 1 d . . . . .
C81 C 0.1450(3) 0.58057(18) 0.61317(18) 0.0337(7) Uani 1 1 d . . . . .
H81 H 0.1113 0.5498 0.5724 0.040 Uiso 1 1 calc R . . . .
C82 C 1.3481(3) -0.2025(2) -0.0003(2) 0.0448(9) Uani 1 1 d . . . . .
H82 H 1.4091 -0.2145 0.0052 0.054 Uiso 1 1 calc R . . . .
C83 C 1.2260(3) -0.1331(2) 0.04267(18) 0.0386(8) Uani 1 1 d . . . . .
H83 H 1.2054 -0.0992 0.0776 0.046 Uiso 1 1 calc R . . . .
C84 C 0.8100(3) -0.08059(18) -0.13099(17) 0.0338(7) Uani 1 1 d . . . . .
H84 H 0.7956 -0.0483 -0.1434 0.041 Uiso 1 1 calc R . . . .
C85 C 0.0414(3) 0.48485(17) 0.66205(17) 0.0309(7) Uani 1 1 d . . . . .
H85 H 0.0507 0.5208 0.7035 0.037 Uiso 1 1 calc R . . . .
C86 C 0.4619(3) 0.44328(19) 0.16001(19) 0.0409(9) Uani 1 1 d . . . . .
C87 C 0.4397(4) 0.4781(2) 0.1204(2) 0.0491(10) Uani 1 1 d . . . . .
C88 C 0.4446(3) 0.37505(18) 0.13323(17) 0.0343(7) Uani 1 1 d . . . . .
C89 C 1.0068(3) -0.1813(2) 0.05322(19) 0.0392(8) Uani 1 1 d . . . . .
H89 H 1.0414 -0.2173 0.0380 0.047 Uiso 1 1 calc R . . . .
C90 C -0.1799(3) 0.53324(18) 0.60303(19) 0.0387(8) Uani 1 1 d . . . . .
C91 C -0.0698(3) 0.77500(17) 0.66502(17) 0.0331(7) Uani 1 1 d . . . . .
H91 H -0.0504 0.8044 0.6492 0.040 Uiso 1 1 calc R . . . .
C92 C 0.1459(3) 0.66489(18) 0.72168(18) 0.0338(7) Uani 1 1 d . . . . .
H92 H 0.1127 0.6912 0.7541 0.041 Uiso 1 1 calc R . . . .
C93 C 0.0799(3) 0.0591(3) 0.5959(2) 0.0490(10) Uani 1 1 d . . . . .
H93 H 0.0989 0.0262 0.6061 0.059 Uiso 1 1 calc R . . . .
C94 C 0.1635(3) 0.28697(18) 0.51137(18) 0.0362(8) Uani 1 1 d . . . . .
H94 H 0.1391 0.2962 0.4786 0.043 Uiso 1 1 calc R . . . .
C95 C 1.2522(3) -0.0605(2) -0.1194(2) 0.0423(9) Uani 1 1 d . . . . .
H95 H 1.3062 -0.0264 -0.0982 0.051 Uiso 1 1 calc R . . . .
C96 C 0.2461(3) 0.6730(2) 0.7335(2) 0.0425(9) Uani 1 1 d . . . . .
H96 H 0.2800 0.7043 0.7740 0.051 Uiso 1 1 calc R . . . .
C97 C 0.9558(3) -0.1709(2) 0.10337(19) 0.0400(9) Uani 1 1 d . . . . .
H97 H 0.9549 -0.2009 0.1203 0.048 Uiso 1 1 calc R . . . .
C98 C 1.2373(3) -0.0980(2) -0.18591(19) 0.0389(8) Uani 1 1 d . . . . .
H98 H 1.2815 -0.0895 -0.2093 0.047 Uiso 1 1 calc R . . . .
C99 C 0.0679(3) 0.1072(2) 0.5238(3) 0.0506(11) Uani 1 1 d . . . . .
H99 H 0.0796 0.1067 0.4856 0.061 Uiso 1 1 calc R . . . .
C100 C 0.1484(2) 0.0051(2) 0.49407(18) 0.0375(8) Uani 1 1 d . . . . .
H10A H 0.1315 -0.0001 0.4511 0.045 Uiso 1 1 calc R . . . .
H10B H 0.1267 -0.0377 0.4929 0.045 Uiso 1 1 calc R . . . .
C101 C 0.5879(3) 0.47673(19) 0.25807(19) 0.0413(9) Uani 1 1 d . . . . .
H101 H 0.6139 0.4377 0.2353 0.050 Uiso 1 1 calc R . . . .
C102 C 0.4699(4) 0.5483(2) 0.2637(2) 0.0556(12) Uani 1 1 d . . . . .
H102 H 0.4158 0.5582 0.2449 0.067 Uiso 1 1 calc R . . . .
C103 C 0.5064(3) 0.48917(18) 0.22842(19) 0.0413(9) Uani 1 1 d . . . . .
C104 C 0.3386(3) 0.2817(2) 0.0333(2) 0.0494(10) Uani 1 1 d . . . . .
H104 H 0.2955 0.2762 0.0587 0.059 Uiso 1 1 calc R . . . .
C105 C 0.2458(3) 0.58892(19) 0.6248(2) 0.0407(9) Uani 1 1 d . . . . .
H105 H 0.2795 0.5639 0.5920 0.049 Uiso 1 1 calc R . . . .
C106 C 0.7690(3) -0.1429(2) 0.24802(17) 0.0365(8) Uani 1 1 d . . . . .
H106 H 0.7497 -0.1777 0.2573 0.044 Uiso 1 1 calc R . . . .
C107 C 0.2977(3) 0.6348(2) 0.6856(2) 0.0448(9) Uani 1 1 d . . . . .
H107 H 0.3657 0.6398 0.6940 0.054 Uiso 1 1 calc R . . . .
C108 C 0.3837(4) 0.2477(2) -0.0704(2) 0.0536(11) Uani 1 1 d . . . . .
H108 H 0.3711 0.2197 -0.1147 0.064 Uiso 1 1 calc R . . . .
C109 C 0.4267(4) 0.0187(2) 0.1874(2) 0.0491(10) Uani 1 1 d . . . . .
H109 H 0.3930 0.0511 0.1845 0.059 Uiso 1 1 calc R . . . .
C110 C 1.3167(3) -0.1515(2) 0.0507(2) 0.0446(9) Uani 1 1 d . . . . .
H110 H 1.3568 -0.1294 0.0907 0.054 Uiso 1 1 calc R . . . .
C111 C 0.4663(3) 0.2967(2) -0.04312(19) 0.0443(9) Uani 1 1 d . . . . .
H111 H 0.5092 0.3017 -0.0689 0.053 Uiso 1 1 calc R . . . .
C112 C 0.5926(4) 0.5790(2) 0.3551(2) 0.0556(11) Uani 1 1 d . . . . .
H112 H 0.6205 0.6086 0.3976 0.067 Uiso 1 1 calc R . . . .
C113 C 0.0092(3) 0.37541(18) 0.54022(17) 0.0372(8) Uani 1 1 d . . . . .
H113 H -0.0022 0.3385 0.4993 0.045 Uiso 1 1 calc R . . . .
C114 C -0.2430(3) 0.4994(2) 0.6244(3) 0.0566(12) Uani 1 1 d . . . . .
H114 H -0.2175 0.4824 0.6508 0.068 Uiso 1 1 calc R . . . .
C115 C 0.6313(3) 0.5215(2) 0.3211(2) 0.0489(10) Uani 1 1 d . . . . .
H115 H 0.6861 0.5126 0.3401 0.059 Uiso 1 1 calc R . . . .
C116 C 0.5544(3) -0.0467(3) 0.1595(2) 0.0543(12) Uani 1 1 d . . . . .
H116 H 0.6075 -0.0583 0.1379 0.065 Uiso 1 1 calc R . . . .
C117 C 0.5051(3) 0.0002(3) 0.1555(2) 0.0520(11) Uani 1 1 d . . . . .
H117 H 0.5242 0.0204 0.1310 0.062 Uiso 1 1 calc R . . . .
C118 C 1.2877(3) -0.2354(2) -0.05983(19) 0.0422(9) Uani 1 1 d . . . . .
H118 H 1.3080 -0.2700 -0.0944 0.051 Uiso 1 1 calc R . . . .
C119 C 0.5127(4) 0.5227(2) 0.1167(2) 0.0582(12) Uani 1 1 d . . . . .
H119 H 0.5755 0.5315 0.1395 0.070 Uiso 1 1 calc R . . . .
C120 C 0.5135(4) 0.5927(2) 0.3266(2) 0.0624(13) Uani 1 1 d . . . . .
H120 H 0.4885 0.6322 0.3496 0.075 Uiso 1 1 calc R . . . .
Cl1 Cl 0.4541(3) 0.03412(17) 0.01698(14) 0.0837(9) Uani 0.5 1 d . . P D -1
Cl2 Cl 0.5490(2) -0.08496(19) -0.02284(15) 0.0882(10) Uani 0.5 1 d . . P D -1
Cl3 Cl 0.1971(2) 0.4181(3) 0.1859(2) 0.1251(17) Uani 0.5 1 d . . P . .
Cl4 Cl 0.0074(3) 0.3482(3) 0.1481(3) 0.1380(18) Uani 0.5 1 d . . P . .
C121 C 0.4398(7) -0.0530(5) -0.0062(5) 0.059(2) Uani 0.5 1 d . . P D -1
H12A H 0.4180 -0.0603 0.0281 0.071 Uiso 0.5 1 calc R . P D -1
H12B H 0.3896 -0.0772 -0.0441 0.071 Uiso 0.5 1 calc R . P D -1
C122 C 0.0826(14) 0.4176(10) 0.1818(11) 0.138(7) Uani 0.5 1 d . U P . .
H12C H 0.0653 0.4433 0.1597 0.165 Uiso 0.5 1 calc R . P . .
H12D H 0.0701 0.4425 0.2254 0.165 Uiso 0.5 1 calc R . P . .
F9A F 0.1823(7) -0.1882(6) 0.6267(5) 0.079(3) Uani 0.522(14) 1 d D U P B 2
F8A F 0.0792(6) -0.1278(4) 0.6072(7) 0.082(3) Uani 0.522(14) 1 d D U P B 2
F7A F 0.0992(8) -0.2247(4) 0.5359(3) 0.076(3) Uani 0.522(14) 1 d D U P B 2
O7 O 0.1648(4) -0.1601(2) 0.2674(3) 0.0837(14) Uani 0.85 1 d . U P E 1
H7A H 0.2106 -0.1810 0.2715 0.126 Uiso 0.85 1 d R . P E 1
H7B H 0.1372 -0.1789 0.2283 0.126 Uiso 0.85 1 d R . P E 1
Ag1A Ag 0.3524(8) 0.1457(6) 0.5359(10) 0.0441(16) Uani 0.176(17) 1 d . U P A 2
O7W O 0.120(2) -0.1891(12) 0.2113(10) 0.075(7) Uani 0.15 1 d . U P F 2
H7WA H 0.0989 -0.2313 0.1912 0.112 Uiso 0.15 1 d R . P F 2
H7WB H 0.0730 -0.1678 0.2098 0.112 Uiso 0.15 1 d R . P F 2
F2A F 0.4765(19) -0.2874(14) 0.1867(8) 0.119(7) Uani 0.205(8) 1 d D U P C 2
F1A F 0.6214(15) -0.2877(14) 0.2099(14) 0.124(7) Uani 0.205(8) 1 d D U P C 2
F3A F 0.529(2) -0.3452(8) 0.2386(12) 0.116(7) Uani 0.205(8) 1 d D U P C 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
Ag2 Ag5 2.9303(3) . ?
Ag2 Ag4 2.8923(3) . ?
Ag2 Ag3 3.2948(4) . ?
Ag2 Ag1 2.995(3) . ?
Ag2 S2 2.4612(8) . ?
Ag2 S1 2.4676(8) . ?
Ag2 O2 2.380(3) . ?
Ag2 Ag1A 3.274(16) . ?
Ag5 Ag4 2.9011(3) . ?
Ag5 Ag3 3.0845(4) 2_656 ?
Ag5 Ag6 3.3317(4) 2_656 ?
Ag5 S1 2.4615(8) . ?
Ag5 S3 2.4971(8) . ?
Ag5 O3 2.375(2) . ?
Ag4 Ag6 3.1600(4) . ?
Ag4 Ag1 3.230(3) 2_656 ?
Ag4 S2 2.4527(8) . ?
Ag4 S3 2.4435(8) . ?
Ag4 O5 2.406(3) . ?
Ag4 Ag1A 2.980(14) 2_656 ?
Ag3 Ag5 3.0844(4) 2_656 ?
Ag3 S2 2.4965(8) . ?
Ag3 S3 2.5582(8) 2_656 ?
Ag3 O4 2.555(2) 2_656 ?
Ag3 N2 2.236(3) . ?
Ag6 Ag5 3.3317(4) 2_656 ?
Ag6 S2 2.5644(8) . ?
Ag6 S1 2.4850(8) 2_656 ?
Ag6 N1 2.216(3) . ?
Ag1 Ag4 3.229(3) 2_656 ?
Ag1 S1 2.524(2) . ?
Ag1 S3 2.5190(19) 2_656 ?
Ag1 N3 2.230(3) . ?
S2 C70 1.859(4) . ?
S1 Ag6 2.4850(8) 2_656 ?
S1 C100 1.853(4) . ?
S1 Ag1A 2.565(9) . ?
S3 Ag3 2.5582(8) 2_656 ?
S3 Ag1 2.5191(19) 2_656 ?
S3 C28 1.856(4) . ?
S3 Ag1A 2.501(8) 2_656 ?
F6 C12 1.355(6) . ?
F4 C12 1.309(5) . ?
F5 C12 1.289(5) . ?
F9 C6 1.304(6) . ?
F3 C16 1.355(6) . ?
F7 C6 1.321(6) . ?
F2 C16 1.304(6) . ?
F8 C6 1.341(6) . ?
F1 C16 1.334(6) . ?
O4 Ag3 2.555(2) 2_656 ?
O4 C1 1.246(4) . ?
O3 C1 1.237(4) . ?
O2 C2 1.244(4) . ?
O6 C5 1.243(5) . ?
O1 C2 1.229(4) . ?
O5 C5 1.232(5) . ?
N2 C3 1.343(4) . ?
N2 C59 1.340(5) . ?
N1 C25 1.344(5) . ?
N1 C106 1.339(5) . ?
N3 C73 1.342(5) . ?
N3 C74 1.340(5) . ?
N3 Ag1A 2.199(9) . ?
C1 C6 1.550(5) . ?
C2 C12 1.548(5) . ?
C3 H3 0.9300 . ?
C3 C22 1.372(5) . ?
C4 H4 0.9300 . ?
C4 C27 1.386(5) . ?
C4 C53 1.394(5) . ?
C5 C16 1.501(6) . ?
C6 F9A 1.315(6) . ?
C6 F8A 1.302(6) . ?
C6 F7A 1.323(6) . ?
C7 H7 0.9300 . ?
C7 C18 1.405(7) . ?
C7 C90 1.400(6) . ?
C8 H8 0.9300 . ?
C8 C15 1.375(9) . ?
C8 C37 1.352(9) . ?
C9 H9 0.9300 . ?
C9 C104 1.380(6) . ?
C9 C108 1.376(7) . ?
C10 H10 0.9300 . ?
C10 C17 1.402(5) . ?
C10 C71 1.383(5) . ?
C11 C23 1.379(6) . ?
C11 C28 1.502(5) . ?
C11 C31 1.395(5) . ?
C13 H13 0.9300 . ?
C13 C18 1.371(10) . ?
C13 C34 1.373(10) . ?
C14 H14 0.9300 . ?
C14 C41 1.381(5) . ?
C14 C42 1.393(5) . ?
C15 H15 0.9300 . ?
C15 C35 1.406(7) . ?
C16 F2A 1.340(8) . ?
C16 F1A 1.336(8) . ?
C16 F3A 1.323(8) . ?
C17 C19 1.474(4) . ?
C17 C27 1.395(5) . ?
C18 H18 0.9300 . ?
C19 C22 1.400(5) . ?
C19 C48 1.394(5) . ?
C20 H20 0.9300 . ?
C20 C32 1.381(10) . ?
C20 C93 1.401(7) . ?
C21 H21 0.9300 . ?
C21 C32 1.361(10) . ?
C21 C99 1.383(7) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C23 C30 1.383(6) . ?
C24 H24 0.9300 . ?
C24 C26 1.358(7) . ?
C24 C30 1.395(7) . ?
C25 H25 0.9300 . ?
C25 C63 1.380(5) . ?
C26 H26 0.9300 . ?
C26 C31 1.396(6) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 H29 0.9300 . ?
C29 C66 1.397(5) . ?
C29 C73 1.385(5) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C38 1.493(4) . ?
C33 C51 1.393(5) . ?
C33 C65 1.404(4) . ?
C34 H34 0.9300 . ?
C34 C114 1.394(7) . ?
C35 H35 0.9300 . ?
C35 C87 1.363(7) . ?
C36 C43 1.492(4) . ?
C36 C79 1.400(5) . ?
C36 C85 1.394(5) . ?
C37 H37 0.9300 . ?
C37 C119 1.393(7) . ?
C38 C69 1.358(5) . ?
C38 C72 1.489(4) . ?
C39 C40 1.398(5) . ?
C39 C55 1.482(4) . ?
C39 C97 1.379(5) . ?
C40 H40 0.9300 . ?
C40 C52 1.378(5) . ?
C41 H41 0.9300 . ?
C41 C75 1.389(5) . ?
C42 H42 0.9300 . ?
C42 C91 1.381(5) . ?
C43 C77 1.366(5) . ?
C43 C90 1.491(5) . ?
C44 H44 0.9300 . ?
C44 C56 1.382(5) . ?
C44 C109 1.390(6) . ?
C45 H45 0.9300 . ?
C45 C50 1.390(5) . ?
C45 C98 1.378(5) . ?
C46 C93 1.373(6) . ?
C46 C99 1.402(6) . ?
C46 C100 1.492(5) . ?
C47 C58 1.385(5) . ?
C47 C69 1.496(5) . ?
C47 C83 1.399(5) . ?
C48 H48 0.9300 . ?
C48 C59 1.371(5) . ?
C49 C64 1.386(5) . ?
C49 C66 1.483(5) . ?
C49 C113 1.405(5) . ?
C50 H50 0.9300 . ?
C50 C72 1.386(5) . ?
C51 H51 0.9300 . ?
C51 C84 1.389(5) . ?
C52 H52 0.9300 . ?
C52 C57 1.396(5) . ?
C53 C71 1.398(5) . ?
C53 C88 1.498(5) . ?
C54 H54 0.9300 . ?
C54 C65 1.380(5) . ?
C54 C68 1.392(5) . ?
C55 C62 1.400(5) . ?
C55 C63 1.394(5) . ?
C56 C70 1.504(5) . ?
C56 C78 1.385(5) . ?
C57 C69 1.489(4) . ?
C57 C89 1.397(5) . ?
C58 H58 0.9300 . ?
C58 C118 1.393(5) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C60 C80 1.396(5) . ?
C60 C111 1.378(5) . ?
C61 C77 1.483(5) . ?
C61 C81 1.393(5) . ?
C61 C92 1.406(5) . ?
C62 H62 0.9300 . ?
C62 C106 1.386(5) . ?
C63 H63 0.9300 . ?
C64 H64 0.9300 . ?
C64 C85 1.388(5) . ?
C65 H65 0.9300 . ?
C66 C94 1.390(5) . ?
C67 H67 0.9300 . ?
C67 C75 1.393(5) . ?
C67 C91 1.394(5) . ?
C68 H68 0.9300 . ?
C68 C84 1.386(5) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C71 H71 0.9300 . ?
C72 C76 1.397(5) . ?
C73 H73 0.9300 . ?
C74 H74 0.9300 . ?
C74 C94 1.380(5) . ?
C75 C77 1.487(4) . ?
C76 H76 0.9300 . ?
C76 C95 1.383(5) . ?
C78 H78 0.9300 . ?
C78 C116 1.407(6) . ?
C79 H79 0.9300 . ?
C79 C113 1.380(5) . ?
C80 C88 1.494(5) . ?
C80 C104 1.392(6) . ?
C81 H81 0.9300 . ?
C81 C105 1.377(5) . ?
C82 H82 0.9300 . ?
C82 C110 1.381(6) . ?
C82 C118 1.387(6) . ?
C83 H83 0.9300 . ?
C83 C110 1.384(5) . ?
C84 H84 0.9300 . ?
C85 H85 0.9300 . ?
C86 C87 1.499(5) . ?
C86 C88 1.355(5) . ?
C86 C103 1.490(6) . ?
C87 C119 1.397(7) . ?
C89 H89 0.9300 . ?
C89 C97 1.385(5) . ?
C90 C114 1.385(6) . ?
C91 H91 0.9300 . ?
C92 H92 0.9300 . ?
C92 C96 1.369(5) . ?
C93 H93 0.9300 . ?
C94 H94 0.9300 . ?
C95 H95 0.9300 . ?
C95 C98 1.386(5) . ?
C96 H96 0.9300 . ?
C96 C107 1.392(6) . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C99 H99 0.9300 . ?
C100 H10A 0.9700 . ?
C100 H10B 0.9700 . ?
C101 H101 0.9300 . ?
C101 C103 1.389(6) . ?
C101 C115 1.391(6) . ?
C102 H102 0.9300 . ?
C102 C103 1.391(6) . ?
C102 C120 1.388(7) . ?
C104 H104 0.9300 . ?
C105 H105 0.9300 . ?
C105 C107 1.396(6) . ?
C106 H106 0.9300 . ?
C107 H107 0.9300 . ?
C108 H108 0.9300 . ?
C108 C111 1.382(7) . ?
C109 H109 0.9300 . ?
C109 C117 1.377(7) . ?
C110 H110 0.9300 . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C112 C115 1.375(6) . ?
C112 C120 1.365(7) . ?
C113 H113 0.9300 . ?
C114 H114 0.9300 . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C116 C117 1.347(7) . ?
C117 H117 0.9300 . ?
C118 H118 0.9300 . ?
C119 H119 0.9300 . ?
C120 H120 0.9300 . ?
Cl1 C121 1.766(11) . ?
Cl2 C121 1.747(11) . ?
Cl3 C122 1.582(19) . ?
Cl4 C122 1.60(2) . ?
C121 H12A 0.9700 . ?
C121 H12B 0.9700 . ?
C122 H12C 0.9700 . ?
C122 H12D 0.9700 . ?
O7 H7A 0.8501 . ?
O7 H7B 0.8500 . ?
Ag1A Ag4 2.980(14) 2_656 ?
Ag1A S3 2.501(8) 2_656 ?
O7W H7WA 0.8499 . ?
O7W H7WB 0.8503 . ?

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
Ag5 Ag2 Ag3 140.408(11) . . ?
Ag5 Ag2 Ag1 102.91(7) . . ?
Ag5 Ag2 Ag1A 97.8(3) . . ?
Ag4 Ag2 Ag5 59.766(8) . . ?
Ag4 Ag2 Ag3 95.662(9) . . ?
Ag4 Ag2 Ag1 142.41(6) . . ?
Ag4 Ag2 Ag1A 136.8(3) . . ?
Ag1 Ag2 Ag3 77.26(4) . . ?
S2 Ag2 Ag5 113.32(2) . . ?
S2 Ag2 Ag4 53.808(19) . . ?
S2 Ag2 Ag3 48.810(19) . . ?
S2 Ag2 Ag1 125.50(4) . . ?
S2 Ag2 S1 159.13(3) . . ?
S2 Ag2 Ag1A 126.19(15) . . ?
S1 Ag2 Ag5 53.43(2) . . ?
S1 Ag2 Ag4 112.05(2) . . ?
S1 Ag2 Ag3 128.40(2) . . ?
S1 Ag2 Ag1 53.99(6) . . ?
S1 Ag2 Ag1A 50.72(18) . . ?
O2 Ag2 Ag5 118.54(7) . . ?
O2 Ag2 Ag4 120.40(7) . . ?
O2 Ag2 Ag3 100.43(7) . . ?
O2 Ag2 Ag1 97.17(9) . . ?
O2 Ag2 S2 99.42(7) . . ?
O2 Ag2 S1 101.30(7) . . ?
O2 Ag2 Ag1A 102.6(3) . . ?
Ag1A Ag2 Ag3 79.06(16) . . ?
Ag2 Ag5 Ag3 137.302(12) . 2_656 ?
Ag2 Ag5 Ag6 94.446(10) . 2_656 ?
Ag4 Ag5 Ag2 59.466(8) . . ?
Ag4 Ag5 Ag3 100.006(11) . 2_656 ?
Ag4 Ag5 Ag6 134.062(12) . 2_656 ?
Ag3 Ag5 Ag6 73.117(9) 2_656 2_656 ?
S1 Ag5 Ag2 53.621(19) . . ?
S1 Ag5 Ag4 111.94(2) . . ?
S1 Ag5 Ag3 119.99(2) . 2_656 ?
S1 Ag5 Ag6 47.96(2) . 2_656 ?
S1 Ag5 S3 153.99(3) . . ?
S3 Ag5 Ag2 111.53(2) . . ?
S3 Ag5 Ag4 53.188(19) . . ?
S3 Ag5 Ag3 53.31(2) . 2_656 ?
S3 Ag5 Ag6 123.28(2) . 2_656 ?
O3 Ag5 Ag2 134.29(6) . . ?
O3 Ag5 Ag4 128.89(7) . . ?
O3 Ag5 Ag3 88.24(6) . 2_656 ?
O3 Ag5 Ag6 96.74(7) . 2_656 ?
O3 Ag5 S1 106.51(7) . . ?
O3 Ag5 S3 98.64(7) . . ?
Ag2 Ag4 Ag5 60.768(8) . . ?
Ag2 Ag4 Ag6 101.024(10) . . ?
Ag2 Ag4 Ag1 137.75(6) . 2_656 ?
Ag2 Ag4 Ag1A 143.7(3) . 2_656 ?
Ag5 Ag4 Ag6 145.657(12) . . ?
Ag5 Ag4 Ag1 98.79(6) . 2_656 ?
Ag5 Ag4 Ag1A 104.3(3) . 2_656 ?
Ag6 Ag4 Ag1 74.88(4) . 2_656 ?
S2 Ag4 Ag2 54.079(19) . . ?
S2 Ag4 Ag5 114.59(2) . . ?
S2 Ag4 Ag6 52.55(2) . . ?
S2 Ag4 Ag1 124.87(4) . 2_656 ?
S2 Ag4 Ag1A 124.01(16) . 2_656 ?
S3 Ag4 Ag2 114.48(2) . . ?
S3 Ag4 Ag5 54.903(19) . . ?
S3 Ag4 Ag6 124.97(2) . . ?
S3 Ag4 Ag1 50.42(5) . 2_656 ?
S3 Ag4 S2 160.71(3) . . ?
S3 Ag4 Ag1A 53.8(2) . 2_656 ?
O5 Ag4 Ag2 126.04(8) . . ?
O5 Ag4 Ag5 123.66(7) . . ?
O5 Ag4 Ag6 90.68(7) . . ?
O5 Ag4 Ag1 96.20(10) . 2_656 ?
O5 Ag4 S2 99.47(8) . . ?
O5 Ag4 S3 99.70(8) . . ?
O5 Ag4 Ag1A 90.1(4) . 2_656 ?
Ag1A Ag4 Ag6 72.47(19) 2_656 . ?
Ag5 Ag3 Ag2 81.771(9) 2_656 . ?
S2 Ag3 Ag2 47.892(18) . . ?
S2 Ag3 Ag5 80.45(2) . 2_656 ?
S2 Ag3 S3 108.73(3) . 2_656 ?
S2 Ag3 O4 98.94(6) . 2_656 ?
S3 Ag3 Ag2 73.053(19) 2_656 . ?
S3 Ag3 Ag5 51.509(19) 2_656 2_656 ?
O4 Ag3 Ag2 137.24(6) 2_656 . ?
O4 Ag3 Ag5 64.22(6) 2_656 2_656 ?
O4 Ag3 S3 101.48(6) 2_656 2_656 ?
N2 Ag3 Ag2 129.84(8) . . ?
N2 Ag3 Ag5 144.00(8) . 2_656 ?
N2 Ag3 S2 131.91(8) . . ?
N2 Ag3 S3 114.87(7) . 2_656 ?
N2 Ag3 O4 91.58(10) . 2_656 ?
Ag4 Ag6 Ag5 80.280(9) . 2_656 ?
S2 Ag6 Ag5 74.785(19) . 2_656 ?
S2 Ag6 Ag4 49.406(18) . . ?
S1 Ag6 Ag5 47.361(19) 2_656 2_656 ?
S1 Ag6 Ag4 76.55(2) 2_656 . ?
S1 Ag6 S2 106.74(3) 2_656 . ?
N1 Ag6 Ag5 133.03(9) . 2_656 ?
N1 Ag6 Ag4 144.41(8) . . ?
N1 Ag6 S2 118.67(8) . . ?
N1 Ag6 S1 132.76(8) . 2_656 ?
Ag2 Ag1 Ag4 79.83(4) . 2_656 ?
S1 Ag1 Ag2 52.27(5) . . ?
S1 Ag1 Ag4 74.73(7) . 2_656 ?
S3 Ag1 Ag2 79.19(7) 2_656 . ?
S3 Ag1 Ag4 48.39(5) 2_656 2_656 ?
S3 Ag1 S1 111.16(7) 2_656 . ?
N3 Ag1 Ag2 149.35(18) . . ?
N3 Ag1 Ag4 130.41(19) . 2_656 ?
N3 Ag1 S1 123.29(12) . . ?
N3 Ag1 S3 122.65(12) . 2_656 ?
Ag2 S2 Ag3 83.30(3) . . ?
Ag2 S2 Ag6 136.87(3) . . ?
Ag4 S2 Ag2 72.11(2) . . ?
Ag4 S2 Ag3 136.29(3) . . ?
Ag4 S2 Ag6 78.04(2) . . ?
Ag3 S2 Ag6 98.25(3) . . ?
C70 S2 Ag2 105.46(12) . . ?
C70 S2 Ag4 105.93(12) . . ?
C70 S2 Ag3 115.33(12) . . ?
C70 S2 Ag6 112.31(13) . . ?
Ag2 S1 Ag6 136.77(3) . 2_656 ?
Ag2 S1 Ag1 73.74(8) . . ?
Ag2 S1 Ag1A 81.1(4) . . ?
Ag5 S1 Ag2 72.95(2) . . ?
Ag5 S1 Ag6 84.68(3) . 2_656 ?
Ag5 S1 Ag1 136.76(5) . . ?
Ag5 S1 Ag1A 137.21(19) . . ?
Ag6 S1 Ag1 101.72(10) 2_656 . ?
Ag6 S1 Ag1A 92.0(5) 2_656 . ?
C100 S1 Ag2 108.19(12) . . ?
C100 S1 Ag5 106.11(13) . . ?
C100 S1 Ag6 113.44(12) . 2_656 ?
C100 S1 Ag1 109.95(15) . . ?
C100 S1 Ag1A 114.2(3) . . ?
Ag5 S3 Ag3 75.19(2) . 2_656 ?
Ag5 S3 Ag1 136.52(5) . 2_656 ?
Ag5 S3 Ag1A 136.6(2) . 2_656 ?
Ag4 S3 Ag5 71.91(2) . . ?
Ag4 S3 Ag3 132.99(3) . 2_656 ?
Ag4 S3 Ag1 81.19(8) . 2_656 ?
Ag4 S3 Ag1A 74.1(4) . 2_656 ?
Ag1 S3 Ag3 101.57(10) 2_656 2_656 ?
C28 S3 Ag5 104.53(14) . . ?
C28 S3 Ag4 103.61(12) . . ?
C28 S3 Ag3 116.62(12) . 2_656 ?
C28 S3 Ag1 114.78(15) . 2_656 ?
C28 S3 Ag1A 109.1(4) . 2_656 ?
Ag1A S3 Ag3 111.5(5) 2_656 2_656 ?
C1 O4 Ag3 125.6(2) . 2_656 ?
C1 O3 Ag5 107.1(2) . . ?
C2 O2 Ag2 107.8(2) . . ?
C5 O5 Ag4 106.3(3) . . ?
C3 N2 Ag3 120.1(2) . . ?
C59 N2 Ag3 122.4(2) . . ?
C59 N2 C3 117.5(3) . . ?
C25 N1 Ag6 120.7(2) . . ?
C106 N1 Ag6 121.9(3) . . ?
C106 N1 C25 117.4(3) . . ?
C73 N3 Ag1 122.9(3) . . ?
C73 N3 Ag1A 112.5(6) . . ?
C74 N3 Ag1 119.4(3) . . ?
C74 N3 C73 117.5(3) . . ?
C74 N3 Ag1A 130.0(6) . . ?
O4 C1 C6 113.8(3) . . ?
O3 C1 O4 129.6(3) . . ?
O3 C1 C6 116.6(3) . . ?
O2 C2 C12 114.7(3) . . ?
O1 C2 O2 129.5(4) . . ?
O1 C2 C12 115.8(3) . . ?
N2 C3 H3 118.6 . . ?
N2 C3 C22 122.8(3) . . ?
C22 C3 H3 118.6 . . ?
C27 C4 H4 119.2 . . ?
C27 C4 C53 121.7(3) . . ?
C53 C4 H4 119.2 . . ?
O6 C5 C16 116.7(4) . . ?
O5 C5 O6 128.7(4) . . ?
O5 C5 C16 114.7(4) . . ?
F9 C6 F7 103.7(7) . . ?
F9 C6 F8 100.3(7) . . ?
F9 C6 C1 116.3(6) . . ?
F7 C6 F8 104.9(6) . . ?
F7 C6 C1 116.8(5) . . ?
F8 C6 C1 112.9(4) . . ?
F9A C6 C1 109.6(5) . . ?
F9A C6 F7A 104.1(6) . . ?
F8A C6 C1 108.6(4) . . ?
F8A C6 F9A 116.1(8) . . ?
F8A C6 F7A 108.8(6) . . ?
F7A C6 C1 109.4(4) . . ?
C18 C7 H7 120.6 . . ?
C90 C7 H7 120.6 . . ?
C90 C7 C18 118.7(5) . . ?
C15 C8 H8 119.2 . . ?
C37 C8 H8 119.2 . . ?
C37 C8 C15 121.6(5) . . ?
C104 C9 H9 120.0 . . ?
C108 C9 H9 120.0 . . ?
C108 C9 C104 120.0(4) . . ?
C17 C10 H10 119.4 . . ?
C71 C10 H10 119.4 . . ?
C71 C10 C17 121.1(3) . . ?
C23 C11 C28 121.4(4) . . ?
C23 C11 C31 119.7(4) . . ?
C31 C11 C28 119.0(4) . . ?
F6 C12 C2 108.9(4) . . ?
F4 C12 F6 105.8(4) . . ?
F4 C12 C2 113.9(3) . . ?
F5 C12 F6 103.9(4) . . ?
F5 C12 F4 110.1(4) . . ?
F5 C12 C2 113.4(4) . . ?
C18 C13 H13 120.2 . . ?
C18 C13 C34 119.7(5) . . ?
C34 C13 H13 120.2 . . ?
C41 C14 H14 119.8 . . ?
C41 C14 C42 120.4(3) . . ?
C42 C14 H14 119.8 . . ?
C8 C15 H15 121.0 . . ?
C8 C15 C35 118.1(6) . . ?
C35 C15 H15 121.0 . . ?
F3 C16 C5 113.6(4) . . ?
F2 C16 F3 108.4(6) . . ?
F2 C16 F1 108.3(7) . . ?
F2 C16 C5 110.3(5) . . ?
F1 C16 F3 103.8(6) . . ?
F1 C16 C5 112.0(5) . . ?
F2A C16 C5 109.3(11) . . ?
F1A C16 C5 113.5(11) . . ?
F1A C16 F2A 98.9(18) . . ?
F3A C16 C5 111.7(11) . . ?
F3A C16 F2A 117.7(19) . . ?
F3A C16 F1A 105.2(19) . . ?
C10 C17 C19 121.6(3) . . ?
C27 C17 C10 117.8(3) . . ?
C27 C17 C19 120.6(3) . . ?
C7 C18 H18 119.3 . . ?
C13 C18 C7 121.4(6) . . ?
C13 C18 H18 119.3 . . ?
C22 C19 C17 121.4(3) . . ?
C48 C19 C17 122.5(3) . . ?
C48 C19 C22 116.1(3) . . ?
C32 C20 H20 120.3 . . ?
C32 C20 C93 119.4(6) . . ?
C93 C20 H20 120.3 . . ?
C32 C21 H21 119.6 . . ?
C32 C21 C99 120.7(6) . . ?
C99 C21 H21 119.6 . . ?
C3 C22 C19 120.3(3) . . ?
C3 C22 H22 119.9 . . ?
C19 C22 H22 119.9 . . ?
C11 C23 H23 120.0 . . ?
C11 C23 C30 120.0(4) . . ?
C30 C23 H23 120.0 . . ?
C26 C24 H24 120.2 . . ?
C26 C24 C30 119.7(4) . . ?
C30 C24 H24 120.2 . . ?
N1 C25 H25 118.4 . . ?
N1 C25 C63 123.2(4) . . ?
C63 C25 H25 118.4 . . ?
C24 C26 H26 119.7 . . ?
C24 C26 C31 120.7(4) . . ?
C31 C26 H26 119.7 . . ?
C4 C27 C17 120.8(3) . . ?
C4 C27 H27 119.6 . . ?
C17 C27 H27 119.6 . . ?
S3 C28 H28A 109.3 . . ?
S3 C28 H28B 109.3 . . ?
C11 C28 S3 111.6(3) . . ?
C11 C28 H28A 109.3 . . ?
C11 C28 H28B 109.3 . . ?
H28A C28 H28B 108.0 . . ?
C66 C29 H29 119.9 . . ?
C73 C29 H29 119.9 . . ?
C73 C29 C66 120.1(4) . . ?
C23 C30 C24 120.3(4) . . ?
C23 C30 H30 119.8 . . ?
C24 C30 H30 119.8 . . ?
C11 C31 C26 119.6(4) . . ?
C11 C31 H31 120.2 . . ?
C26 C31 H31 120.2 . . ?
C20 C32 H32 119.7 . . ?
C21 C32 C20 120.6(5) . . ?
C21 C32 H32 119.7 . . ?
C51 C33 C38 120.6(3) . . ?
C51 C33 C65 118.1(3) . . ?
C65 C33 C38 121.3(3) . . ?
C13 C34 H34 120.0 . . ?
C13 C34 C114 120.1(6) . . ?
C114 C34 H34 120.0 . . ?
C15 C35 H35 119.0 . . ?
C87 C35 C15 121.9(6) . . ?
C87 C35 H35 119.0 . . ?
C79 C36 C43 120.0(3) . . ?
C85 C36 C43 121.6(3) . . ?
C85 C36 C79 118.4(3) . . ?
C8 C37 H37 120.2 . . ?
C8 C37 C119 119.7(6) . . ?
C119 C37 H37 120.2 . . ?
C69 C38 C33 123.0(3) . . ?
C69 C38 C72 121.2(3) . . ?
C72 C38 C33 115.7(3) . . ?
C40 C39 C55 120.5(3) . . ?
C97 C39 C40 117.9(3) . . ?
C97 C39 C55 121.6(3) . . ?
C39 C40 H40 119.5 . . ?
C52 C40 C39 121.1(3) . . ?
C52 C40 H40 119.5 . . ?
C14 C41 H41 119.6 . . ?
C14 C41 C75 120.8(3) . . ?
C75 C41 H41 119.6 . . ?
C14 C42 H42 120.3 . . ?
C91 C42 C14 119.5(3) . . ?
C91 C42 H42 120.3 . . ?
C77 C43 C36 120.4(3) . . ?
C77 C43 C90 122.4(3) . . ?
C90 C43 C36 117.2(3) . . ?
C56 C44 H44 119.7 . . ?
C56 C44 C109 120.7(4) . . ?
C109 C44 H44 119.7 . . ?
C50 C45 H45 120.0 . . ?
C98 C45 H45 120.0 . . ?
C98 C45 C50 120.1(3) . . ?
C93 C46 C99 120.0(4) . . ?
C93 C46 C100 120.9(4) . . ?
C99 C46 C100 119.1(4) . . ?
C58 C47 C69 120.5(3) . . ?
C58 C47 C83 118.1(3) . . ?
C83 C47 C69 121.2(3) . . ?
C19 C48 H48 119.8 . . ?
C59 C48 C19 120.4(3) . . ?
C59 C48 H48 119.8 . . ?
C64 C49 C66 120.9(3) . . ?
C64 C49 C113 118.4(3) . . ?
C113 C49 C66 120.7(3) . . ?
C45 C50 H50 119.5 . . ?
C72 C50 C45 120.9(3) . . ?
C72 C50 H50 119.5 . . ?
C33 C51 H51 119.4 . . ?
C84 C51 C33 121.2(3) . . ?
C84 C51 H51 119.4 . . ?
C40 C52 H52 119.4 . . ?
C40 C52 C57 121.1(3) . . ?
C57 C52 H52 119.4 . . ?
C4 C53 C71 117.5(3) . . ?
C4 C53 C88 119.3(3) . . ?
C71 C53 C88 123.2(3) . . ?
C65 C54 H54 119.7 . . ?
C65 C54 C68 120.5(3) . . ?
C68 C54 H54 119.7 . . ?
C62 C55 C39 122.2(3) . . ?
C63 C55 C39 121.4(3) . . ?
C63 C55 C62 116.5(3) . . ?
C44 C56 C70 120.3(3) . . ?
C44 C56 C78 119.4(3) . . ?
C78 C56 C70 120.3(3) . . ?
C52 C57 C69 120.5(3) . . ?
C52 C57 C89 117.5(3) . . ?
C89 C57 C69 121.9(3) . . ?
C47 C58 H58 119.4 . . ?
C47 C58 C118 121.2(3) . . ?
C118 C58 H58 119.4 . . ?
N2 C59 C48 123.0(3) . . ?
N2 C59 H59 118.5 . . ?
C48 C59 H59 118.5 . . ?
C80 C60 H60 119.5 . . ?
C111 C60 H60 119.5 . . ?
C111 C60 C80 121.0(4) . . ?
C81 C61 C77 121.8(3) . . ?
C81 C61 C92 117.9(3) . . ?
C92 C61 C77 120.3(3) . . ?
C55 C62 H62 120.0 . . ?
C106 C62 C55 120.1(4) . . ?
C106 C62 H62 120.0 . . ?
C25 C63 C55 120.0(4) . . ?
C25 C63 H63 120.0 . . ?
C55 C63 H63 120.0 . . ?
C49 C64 H64 119.6 . . ?
C49 C64 C85 120.7(3) . . ?
C85 C64 H64 119.6 . . ?
C33 C65 H65 119.7 . . ?
C54 C65 C33 120.6(3) . . ?
C54 C65 H65 119.7 . . ?
C29 C66 C49 122.2(3) . . ?
C94 C66 C29 116.2(3) . . ?
C94 C66 C49 121.5(3) . . ?
C75 C67 H67 119.5 . . ?
C75 C67 C91 121.0(3) . . ?
C91 C67 H67 119.5 . . ?
C54 C68 H68 120.3 . . ?
C84 C68 C54 119.5(3) . . ?
C84 C68 H68 120.3 . . ?
C38 C69 C47 121.6(3) . . ?
C38 C69 C57 123.5(3) . . ?
C57 C69 C47 114.9(3) . . ?
S2 C70 H70A 109.7 . . ?
S2 C70 H70B 109.7 . . ?
C56 C70 S2 110.0(2) . . ?
C56 C70 H70A 109.7 . . ?
C56 C70 H70B 109.7 . . ?
H70A C70 H70B 108.2 . . ?
C10 C71 C53 121.1(3) . . ?
C10 C71 H71 119.4 . . ?
C53 C71 H71 119.4 . . ?
C50 C72 C38 122.1(3) . . ?
C50 C72 C76 118.3(3) . . ?
C76 C72 C38 119.6(3) . . ?
N3 C73 C29 122.7(4) . . ?
N3 C73 H73 118.6 . . ?
C29 C73 H73 118.6 . . ?
N3 C74 H74 118.6 . . ?
N3 C74 C94 122.8(4) . . ?
C94 C74 H74 118.6 . . ?
C41 C75 C67 118.4(3) . . ?
C41 C75 C77 121.4(3) . . ?
C67 C75 C77 120.1(3) . . ?
C72 C76 H76 119.6 . . ?
C95 C76 C72 120.8(3) . . ?
C95 C76 H76 119.6 . . ?
C43 C77 C61 122.0(3) . . ?
C43 C77 C75 122.1(3) . . ?
C61 C77 C75 115.9(3) . . ?
C56 C78 H78 120.5 . . ?
C56 C78 C116 119.1(4) . . ?
C116 C78 H78 120.5 . . ?
C36 C79 H79 119.8 . . ?
C113 C79 C36 120.5(3) . . ?
C113 C79 H79 119.8 . . ?
C60 C80 C88 120.2(3) . . ?
C104 C80 C60 118.1(4) . . ?
C104 C80 C88 121.6(4) . . ?
C61 C81 H81 119.4 . . ?
C105 C81 C61 121.2(4) . . ?
C105 C81 H81 119.4 . . ?
C110 C82 H82 120.3 . . ?
C110 C82 C118 119.4(4) . . ?
C118 C82 H82 120.3 . . ?
C47 C83 H83 119.6 . . ?
C110 C83 C47 120.7(4) . . ?
C110 C83 H83 119.6 . . ?
C51 C84 H84 120.0 . . ?
C68 C84 C51 119.9(3) . . ?
C68 C84 H84 120.0 . . ?
C36 C85 H85 119.6 . . ?
C64 C85 C36 120.8(3) . . ?
C64 C85 H85 119.6 . . ?
C88 C86 C87 120.8(4) . . ?
C88 C86 C103 124.3(3) . . ?
C103 C86 C87 114.8(3) . . ?
C35 C87 C86 121.3(4) . . ?
C35 C87 C119 118.0(4) . . ?
C119 C87 C86 120.7(4) . . ?
C80 C88 C53 114.2(3) . . ?
C86 C88 C53 124.3(3) . . ?
C86 C88 C80 121.4(3) . . ?
C57 C89 H89 119.5 . . ?
C97 C89 C57 121.0(3) . . ?
C97 C89 H89 119.5 . . ?
C7 C90 C43 120.1(4) . . ?
C114 C90 C7 119.1(4) . . ?
C114 C90 C43 120.8(4) . . ?
C42 C91 C67 119.8(3) . . ?
C42 C91 H91 120.1 . . ?
C67 C91 H91 120.1 . . ?
C61 C92 H92 119.5 . . ?
C96 C92 C61 121.0(4) . . ?
C96 C92 H92 119.5 . . ?
C20 C93 H93 120.0 . . ?
C46 C93 C20 119.9(5) . . ?
C46 C93 H93 120.0 . . ?
C66 C94 H94 119.7 . . ?
C74 C94 C66 120.5(4) . . ?
C74 C94 H94 119.7 . . ?
C76 C95 H95 119.9 . . ?
C76 C95 C98 120.2(3) . . ?
C98 C95 H95 119.9 . . ?
C92 C96 H96 119.7 . . ?
C92 C96 C107 120.6(4) . . ?
C107 C96 H96 119.7 . . ?
C39 C97 C89 121.3(3) . . ?
C39 C97 H97 119.3 . . ?
C89 C97 H97 119.3 . . ?
C45 C98 C95 119.7(3) . . ?
C45 C98 H98 120.1 . . ?
C95 C98 H98 120.1 . . ?
C21 C99 C46 119.3(5) . . ?
C21 C99 H99 120.4 . . ?
C46 C99 H99 120.4 . . ?
S1 C100 H10A 109.6 . . ?
S1 C100 H10B 109.6 . . ?
C46 C100 S1 110.3(3) . . ?
C46 C100 H10A 109.6 . . ?
C46 C100 H10B 109.6 . . ?
H10A C100 H10B 108.1 . . ?
C103 C101 H101 119.4 . . ?
C103 C101 C115 121.3(4) . . ?
C115 C101 H101 119.4 . . ?
C103 C102 H102 119.7 . . ?
C120 C102 H102 119.7 . . ?
C120 C102 C103 120.6(5) . . ?
C101 C103 C86 121.9(4) . . ?
C101 C103 C102 117.8(4) . . ?
C102 C103 C86 120.3(4) . . ?
C9 C104 C80 120.8(4) . . ?
C9 C104 H104 119.6 . . ?
C80 C104 H104 119.6 . . ?
C81 C105 H105 119.9 . . ?
C81 C105 C107 120.2(4) . . ?
C107 C105 H105 119.9 . . ?
N1 C106 C62 122.8(4) . . ?
N1 C106 H106 118.6 . . ?
C62 C106 H106 118.6 . . ?
C96 C107 C105 119.0(4) . . ?
C96 C107 H107 120.5 . . ?
C105 C107 H107 120.5 . . ?
C9 C108 H108 119.9 . . ?
C9 C108 C111 120.2(4) . . ?
C111 C108 H108 119.9 . . ?
C44 C109 H109 120.4 . . ?
C117 C109 C44 119.3(4) . . ?
C117 C109 H109 120.4 . . ?
C82 C110 C83 120.6(4) . . ?
C82 C110 H110 119.7 . . ?
C83 C110 H110 119.7 . . ?
C60 C111 C108 119.7(4) . . ?
C60 C111 H111 120.1 . . ?
C108 C111 H111 120.1 . . ?
C115 C112 H112 119.9 . . ?
C120 C112 H112 119.9 . . ?
C120 C112 C115 120.1(4) . . ?
C49 C113 H113 119.6 . . ?
C79 C113 C49 120.8(3) . . ?
C79 C113 H113 119.6 . . ?
C34 C114 H114 119.6 . . ?
C90 C114 C34 120.9(5) . . ?
C90 C114 H114 119.6 . . ?
C101 C115 H115 120.2 . . ?
C112 C115 C101 119.6(4) . . ?
C112 C115 H115 120.2 . . ?
C78 C116 H116 119.6 . . ?
C117 C116 C78 120.7(4) . . ?
C117 C116 H116 119.6 . . ?
C109 C117 H117 119.6 . . ?
C116 C117 C109 120.8(4) . . ?
C116 C117 H117 119.6 . . ?
C58 C118 H118 120.0 . . ?
C82 C118 C58 120.0(4) . . ?
C82 C118 H118 120.0 . . ?
C37 C119 C87 120.6(5) . . ?
C37 C119 H119 119.7 . . ?
C87 C119 H119 119.7 . . ?
C102 C120 H120 119.7 . . ?
C112 C120 C102 120.6(4) . . ?
C112 C120 H120 119.7 . . ?
Cl1 C121 H12A 109.3 . . ?
Cl1 C121 H12B 109.3 . . ?
Cl2 C121 Cl1 111.8(6) . . ?
Cl2 C121 H12A 109.3 . . ?
Cl2 C121 H12B 109.3 . . ?
H12A C121 H12B 107.9 . . ?
Cl3 C122 Cl4 121.1(12) . . ?
Cl3 C122 H12C 107.1 . . ?
Cl3 C122 H12D 107.1 . . ?
Cl4 C122 H12C 107.1 . . ?
Cl4 C122 H12D 107.1 . . ?
H12C C122 H12D 106.8 . . ?
H7A O7 H7B 109.4 . . ?
Ag4 Ag1A Ag2 79.3(2) 2_656 . ?
S1 Ag1A Ag2 48.1(3) . . ?
S1 Ag1A Ag4 78.9(3) . 2_656 ?
S3 Ag1A Ag2 74.1(3) 2_656 . ?
S3 Ag1A Ag4 52.1(2) 2_656 2_656 ?
S3 Ag1A S1 110.4(3) 2_656 . ?
N3 Ag1A Ag2 133.3(9) . . ?
N3 Ag1A Ag4 147.2(9) . 2_656 ?
N3 Ag1A S1 122.8(4) . . ?
N3 Ag1A S3 124.9(4) . 2_656 ?
H7WA O7W H7WB 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
Ag2 S2 C70 C56 122.4(2) . . . . ?
Ag2 S1 C100 C46 -142.2(2) . . . . ?
Ag2 O2 C2 O1 -1.5(5) . . . . ?
Ag2 O2 C2 C12 177.8(3) . . . . ?
Ag5 S1 C100 C46 140.9(3) . . . . ?
Ag5 S3 C28 C11 -117.8(3) . . . . ?
Ag5 O3 C1 O4 -5.4(5) . . . . ?
Ag5 O3 C1 C6 173.9(2) . . . . ?
Ag4 S2 C70 C56 -162.2(2) . . . . ?
Ag4 S3 C28 C11 167.7(3) . . . . ?
Ag4 O5 C5 O6 8.5(5) . . . . ?
Ag4 O5 C5 C16 -172.3(3) . . . . ?
Ag3 S2 C70 C56 32.6(3) . . . . ?
Ag3 S3 C28 C11 -37.4(3) 2_656 . . . ?
Ag3 O4 C1 O3 -42.3(5) 2_656 . . . ?
Ag3 O4 C1 C6 138.3(2) 2_656 . . . ?
Ag3 N2 C3 C22 178.7(3) . . . . ?
Ag3 N2 C59 C48 -179.1(3) . . . . ?
Ag6 S2 C70 C56 -78.9(3) . . . . ?
Ag6 S1 C100 C46 49.7(3) 2_656 . . . ?
Ag6 N1 C25 C63 178.2(3) . . . . ?
Ag6 N1 C106 C62 -179.2(3) . . . . ?
Ag1 S1 C100 C46 -63.4(3) . . . . ?
Ag1 S3 C28 C11 81.2(3) 2_656 . . . ?
Ag1 N3 C73 C29 -174.4(3) . . . . ?
Ag1 N3 C74 C94 175.5(3) . . . . ?
O4 C1 C6 F9 -73.9(9) . . . . ?
O4 C1 C6 F7 163.0(8) . . . . ?
O4 C1 C6 F8 41.3(9) . . . . ?
O4 C1 C6 F9A -42.9(8) . . . . ?
O4 C1 C6 F8A 84.9(8) . . . . ?
O4 C1 C6 F7A -156.5(7) . . . . ?
O3 C1 C6 F9 106.6(8) . . . . ?
O3 C1 C6 F7 -16.4(9) . . . . ?
O3 C1 C6 F8 -138.2(8) . . . . ?
O3 C1 C6 F9A 137.6(7) . . . . ?
O3 C1 C6 F8A -94.6(8) . . . . ?
O3 C1 C6 F7A 24.1(8) . . . . ?
O2 C2 C12 F6 -110.7(4) . . . . ?
O2 C2 C12 F4 7.1(6) . . . . ?
O2 C2 C12 F5 134.1(4) . . . . ?
O6 C5 C16 F3 162.6(5) . . . . ?
O6 C5 C16 F2 -75.4(7) . . . . ?
O6 C5 C16 F1 45.4(7) . . . . ?
O6 C5 C16 F2A -125.7(16) . . . . ?
O6 C5 C16 F1A -16(2) . . . . ?
O6 C5 C16 F3A 102.3(16) . . . . ?
O1 C2 C12 F6 68.7(5) . . . . ?
O1 C2 C12 F4 -173.5(4) . . . . ?
O1 C2 C12 F5 -46.5(5) . . . . ?
O5 C5 C16 F3 -16.7(6) . . . . ?
O5 C5 C16 F2 105.3(7) . . . . ?
O5 C5 C16 F1 -133.9(6) . . . . ?
O5 C5 C16 F2A 55.0(16) . . . . ?
O5 C5 C16 F1A 164(2) . . . . ?
O5 C5 C16 F3A -77.0(16) . . . . ?
N2 C3 C22 C19 0.7(5) . . . . ?
N1 C25 C63 C55 1.2(6) . . . . ?
N3 C74 C94 C66 -0.8(6) . . . . ?
C3 N2 C59 C48 -0.3(5) . . . . ?
C4 C53 C71 C10 1.0(5) . . . . ?
C4 C53 C88 C80 39.4(5) . . . . ?
C4 C53 C88 C86 -137.3(4) . . . . ?
C7 C90 C114 C34 -3.4(7) . . . . ?
C8 C15 C35 C87 1.6(8) . . . . ?
C8 C37 C119 C87 2.8(8) . . . . ?
C9 C108 C111 C60 0.0(7) . . . . ?
C10 C17 C19 C22 -140.9(3) . . . . ?
C10 C17 C19 C48 39.2(5) . . . . ?
C10 C17 C27 C4 0.9(5) . . . . ?
C11 C23 C30 C24 0.9(6) . . . . ?
C13 C34 C114 C90 1.9(8) . . . . ?
C14 C41 C75 C67 1.5(5) . . . . ?
C14 C41 C75 C77 177.6(3) . . . . ?
C14 C42 C91 C67 -0.9(5) . . . . ?
C15 C8 C37 C119 -2.9(8) . . . . ?
C15 C35 C87 C86 178.9(5) . . . . ?
C15 C35 C87 C119 -1.6(7) . . . . ?
C17 C10 C71 C53 1.2(5) . . . . ?
C17 C19 C22 C3 179.4(3) . . . . ?
C17 C19 C48 C59 -179.8(3) . . . . ?
C18 C7 C90 C43 -179.1(4) . . . . ?
C18 C7 C90 C114 1.9(6) . . . . ?
C18 C13 C34 C114 1.2(9) . . . . ?
C19 C17 C27 C4 -179.0(3) . . . . ?
C19 C48 C59 N2 0.2(6) . . . . ?
C22 C19 C48 C59 0.3(5) . . . . ?
C23 C11 C28 S3 -71.2(4) . . . . ?
C23 C11 C31 C26 0.4(6) . . . . ?
C24 C26 C31 C11 -0.6(6) . . . . ?
C25 N1 C106 C62 -1.4(5) . . . . ?
C26 C24 C30 C23 -1.1(6) . . . . ?
C27 C4 C53 C71 -2.1(5) . . . . ?
C27 C4 C53 C88 -180.0(3) . . . . ?
C27 C17 C19 C22 39.0(5) . . . . ?
C27 C17 C19 C48 -140.9(3) . . . . ?
C28 C11 C23 C30 179.2(3) . . . . ?
C28 C11 C31 C26 -179.4(4) . . . . ?
C29 C66 C94 C74 0.1(5) . . . . ?
C30 C24 C26 C31 0.9(7) . . . . ?
C31 C11 C23 C30 -0.6(6) . . . . ?
C31 C11 C28 S3 108.6(4) . . . . ?
C32 C20 C93 C46 0.7(7) . . . . ?
C32 C21 C99 C46 0.8(7) . . . . ?
C33 C38 C69 C47 165.8(3) . . . . ?
C33 C38 C69 C57 -16.2(5) . . . . ?
C33 C38 C72 C50 -52.3(5) . . . . ?
C33 C38 C72 C76 124.5(3) . . . . ?
C33 C51 C84 C68 -1.3(5) . . . . ?
C34 C13 C18 C7 -2.7(8) . . . . ?
C35 C87 C119 C37 -0.6(7) . . . . ?
C36 C43 C77 C61 7.4(5) . . . . ?
C36 C43 C77 C75 -172.5(3) . . . . ?
C36 C43 C90 C7 -124.8(4) . . . . ?
C36 C43 C90 C114 54.2(5) . . . . ?
C36 C79 C113 C49 3.0(6) . . . . ?
C37 C8 C15 C35 0.7(9) . . . . ?
C38 C33 C51 C84 -177.2(3) . . . . ?
C38 C33 C65 C54 177.9(3) . . . . ?
C38 C72 C76 C95 -178.4(4) . . . . ?
C39 C40 C52 C57 0.0(5) . . . . ?
C39 C55 C62 C106 -178.5(3) . . . . ?
C39 C55 C63 C25 177.5(3) . . . . ?
C40 C39 C55 C62 157.5(3) . . . . ?
C40 C39 C55 C63 -21.6(5) . . . . ?
C40 C39 C97 C89 1.7(6) . . . . ?
C40 C52 C57 C69 -175.5(3) . . . . ?
C40 C52 C57 C89 -0.3(5) . . . . ?
C41 C14 C42 C91 -1.0(5) . . . . ?
C41 C75 C77 C43 53.7(5) . . . . ?
C41 C75 C77 C61 -126.2(3) . . . . ?
C42 C14 C41 C75 0.7(5) . . . . ?
C43 C36 C79 C113 170.6(4) . . . . ?
C43 C36 C85 C64 -171.9(3) . . . . ?
C43 C90 C114 C34 177.5(4) . . . . ?
C44 C56 C70 S2 -88.6(4) . . . . ?
C44 C56 C78 C116 0.8(6) . . . . ?
C44 C109 C117 C116 -0.1(7) . . . . ?
C45 C50 C72 C38 179.6(3) . . . . ?
C45 C50 C72 C76 2.8(5) . . . . ?
C47 C58 C118 C82 0.4(6) . . . . ?
C47 C83 C110 C82 -0.9(6) . . . . ?
C48 C19 C22 C3 -0.7(5) . . . . ?
C49 C64 C85 C36 -0.2(5) . . . . ?
C49 C66 C94 C74 179.5(3) . . . . ?
C50 C45 C98 C95 0.7(6) . . . . ?
C50 C72 C76 C95 -1.5(6) . . . . ?
C51 C33 C38 C69 140.1(3) . . . . ?
C51 C33 C38 C72 -37.7(4) . . . . ?
C51 C33 C65 C54 -2.4(5) . . . . ?
C52 C57 C69 C38 -41.9(5) . . . . ?
C52 C57 C69 C47 136.2(3) . . . . ?
C52 C57 C89 C97 1.3(6) . . . . ?
C53 C4 C27 C17 1.2(5) . . . . ?
C54 C68 C84 C51 -1.4(5) . . . . ?
C55 C39 C40 C52 -179.8(3) . . . . ?
C55 C39 C97 C89 -179.2(4) . . . . ?
C55 C62 C106 N1 0.9(6) . . . . ?
C56 C44 C109 C117 0.0(6) . . . . ?
C56 C78 C116 C117 -0.9(6) . . . . ?
C57 C89 C97 C39 -2.1(6) . . . . ?
C58 C47 C69 C38 -49.1(5) . . . . ?
C58 C47 C69 C57 132.8(4) . . . . ?
C58 C47 C83 C110 1.8(6) . . . . ?
C59 N2 C3 C22 -0.2(5) . . . . ?
C60 C80 C88 C53 -121.0(4) . . . . ?
C60 C80 C88 C86 55.8(5) . . . . ?
C60 C80 C104 C9 -0.7(6) . . . . ?
C61 C81 C105 C107 0.0(5) . . . . ?
C61 C92 C96 C107 0.9(6) . . . . ?
C62 C55 C63 C25 -1.6(5) . . . . ?
C63 C55 C62 C106 0.6(5) . . . . ?
C64 C49 C66 C29 28.5(5) . . . . ?
C64 C49 C66 C94 -150.8(4) . . . . ?
C64 C49 C113 C79 2.6(6) . . . . ?
C65 C33 C38 C69 -40.3(5) . . . . ?
C65 C33 C38 C72 141.9(3) . . . . ?
C65 C33 C51 C84 3.1(5) . . . . ?
C65 C54 C68 C84 2.1(5) . . . . ?
C66 C29 C73 N3 -1.0(6) . . . . ?
C66 C49 C64 C85 175.3(3) . . . . ?
C66 C49 C113 C79 -176.6(4) . . . . ?
C67 C75 C77 C43 -130.2(4) . . . . ?
C67 C75 C77 C61 49.9(4) . . . . ?
C68 C54 C65 C33 -0.1(5) . . . . ?
C69 C38 C72 C50 129.9(4) . . . . ?
C69 C38 C72 C76 -53.4(5) . . . . ?
C69 C47 C58 C118 -178.6(4) . . . . ?
C69 C47 C83 C110 178.8(4) . . . . ?
C69 C57 C89 C97 176.5(4) . . . . ?
C70 C56 C78 C116 -177.3(4) . . . . ?
C71 C10 C17 C19 177.8(3) . . . . ?
C71 C10 C17 C27 -2.1(5) . . . . ?
C71 C53 C88 C80 -138.3(4) . . . . ?
C71 C53 C88 C86 45.0(6) . . . . ?
C72 C38 C69 C47 -16.6(5) . . . . ?
C72 C38 C69 C57 161.4(3) . . . . ?
C72 C76 C95 C98 -0.2(6) . . . . ?
C73 N3 C74 C94 0.5(6) . . . . ?
C73 C29 C66 C49 -178.6(3) . . . . ?
C73 C29 C66 C94 0.7(5) . . . . ?
C74 N3 C73 C29 0.4(5) . . . . ?
C75 C67 C91 C42 3.1(5) . . . . ?
C76 C95 C98 C45 0.6(6) . . . . ?
C77 C43 C90 C7 52.8(5) . . . . ?
C77 C43 C90 C114 -128.1(4) . . . . ?
C77 C61 C81 C105 -178.3(3) . . . . ?
C77 C61 C92 C96 177.9(3) . . . . ?
C78 C56 C70 S2 89.5(4) . . . . ?
C78 C116 C117 C109 0.5(7) . . . . ?
C79 C36 C43 C77 -128.1(4) . . . . ?
C79 C36 C43 C90 49.5(5) . . . . ?
C79 C36 C85 C64 5.8(5) . . . . ?
C80 C60 C111 C108 -0.4(6) . . . . ?
C81 C61 C77 C43 51.1(5) . . . . ?
C81 C61 C77 C75 -129.0(3) . . . . ?
C81 C61 C92 C96 -2.4(5) . . . . ?
C81 C105 C107 C96 -1.6(6) . . . . ?
C83 C47 C58 C118 -1.5(6) . . . . ?
C83 C47 C69 C38 134.0(4) . . . . ?
C83 C47 C69 C57 -44.2(5) . . . . ?
C85 C36 C43 C77 49.5(5) . . . . ?
C85 C36 C43 C90 -132.8(4) . . . . ?
C85 C36 C79 C113 -7.1(6) . . . . ?
C86 C87 C119 C37 178.9(4) . . . . ?
C87 C86 C88 C53 -171.9(4) . . . . ?
C87 C86 C88 C80 11.6(6) . . . . ?
C87 C86 C103 C101 -133.2(4) . . . . ?
C87 C86 C103 C102 43.3(6) . . . . ?
C88 C53 C71 C10 178.7(3) . . . . ?
C88 C80 C104 C9 -177.2(4) . . . . ?
C88 C86 C87 C35 55.8(6) . . . . ?
C88 C86 C87 C119 -123.7(5) . . . . ?
C88 C86 C103 C101 44.8(6) . . . . ?
C88 C86 C103 C102 -138.7(5) . . . . ?
C89 C57 C69 C38 143.1(4) . . . . ?
C89 C57 C69 C47 -38.8(5) . . . . ?
C90 C7 C18 C13 1.2(7) . . . . ?
C90 C43 C77 C61 -170.2(3) . . . . ?
C90 C43 C77 C75 9.9(5) . . . . ?
C91 C67 C75 C41 -3.4(5) . . . . ?
C91 C67 C75 C77 -179.5(3) . . . . ?
C92 C61 C77 C43 -129.2(4) . . . . ?
C92 C61 C77 C75 50.7(4) . . . . ?
C92 C61 C81 C105 2.0(5) . . . . ?
C92 C96 C107 C105 1.2(6) . . . . ?
C93 C20 C32 C21 0.4(8) . . . . ?
C93 C46 C99 C21 0.3(6) . . . . ?
C93 C46 C100 S1 -82.9(4) . . . . ?
C97 C39 C40 C52 -0.7(5) . . . . ?
C97 C39 C55 C62 -21.6(5) . . . . ?
C97 C39 C55 C63 159.3(4) . . . . ?
C98 C45 C50 C72 -2.4(6) . . . . ?
C99 C21 C32 C20 -1.1(8) . . . . ?
C99 C46 C93 C20 -1.0(6) . . . . ?
C99 C46 C100 S1 97.6(4) . . . . ?
C100 C46 C93 C20 179.5(4) . . . . ?
C100 C46 C99 C21 179.8(4) . . . . ?
C103 C86 C87 C35 -126.1(5) . . . . ?
C103 C86 C87 C119 54.4(6) . . . . ?
C103 C86 C88 C53 10.2(6) . . . . ?
C103 C86 C88 C80 -166.2(4) . . . . ?
C103 C101 C115 C112 0.5(6) . . . . ?
C103 C102 C120 C112 -0.3(8) . . . . ?
C104 C9 C108 C111 0.0(7) . . . . ?
C104 C80 C88 C53 55.5(5) . . . . ?
C104 C80 C88 C86 -127.7(4) . . . . ?
C106 N1 C25 C63 0.3(5) . . . . ?
C108 C9 C104 C80 0.3(7) . . . . ?
C109 C44 C56 C70 177.7(3) . . . . ?
C109 C44 C56 C78 -0.4(6) . . . . ?
C110 C82 C118 C58 0.5(7) . . . . ?
C111 C60 C80 C88 177.3(3) . . . . ?
C111 C60 C80 C104 0.7(6) . . . . ?
C113 C49 C64 C85 -4.0(5) . . . . ?
C113 C49 C66 C29 -152.3(4) . . . . ?
C113 C49 C66 C94 28.4(5) . . . . ?
C115 C101 C103 C86 177.2(4) . . . . ?
C115 C101 C103 C102 0.5(6) . . . . ?
C115 C112 C120 C102 1.3(8) . . . . ?
C118 C82 C110 C83 -0.3(7) . . . . ?
C120 C102 C103 C86 -177.3(4) . . . . ?
C120 C102 C103 C101 -0.6(7) . . . . ?
C120 C112 C115 C101 -1.4(7) . . . . ?
Ag1A S1 C100 C46 -53.9(6) . . . . ?
Ag1A S3 C28 C11 90.0(5) 2_656 . . . ?
Ag1A N3 C73 C29 -179.1(4) . . . . ?
Ag1A N3 C74 C94 179.9(5) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.014 0.058 0.208 7.3 0.0 ?
2 0.000 0.500 0.000 1243.1 229.7 ?
3 0.014 0.942 0.792 7.3 0.0 ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.126
_oxdiff_exptl_absorpt_empirical_full_min 0.730
# start Validation Reply Form
_vrf_PLAT420_nc_5                
;
PROBLEM: D-H Without Acceptor       O7       --H7A            Please Check 
RESPONSE: This free water molecular suffers from bad disordered, 
which cause the O-H without available acceptor.
;
####################################################################### 
# 
# 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_nc_3
_database_code_depnum_ccdc_archive 'CCDC 1855162'
_audit_update_record             
;
2018-07-11 deposited with the CCDC.
2018-09-27 downloaded from the CCDC.
;
# end Validation Reply Form
_audit_creation_date             2018-04-16
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.07.14 svn.r3447 for OlexSys, GUI svn.r5367)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C144 H108 Ag12 F18 N6 O12 S6, C7 H8, 2(C H4 O)'
_chemical_formula_sum            'C153 H124 Ag12 F18 N6 O14 S6'
_chemical_formula_weight         4099.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N S Ag'
_chemical_oxdiff_usercomment     st
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.4260(4)
_cell_length_b                   16.8265(4)
_cell_length_c                   18.3595(5)
_cell_angle_alpha                66.394(2)
_cell_angle_beta                 78.701(2)
_cell_angle_gamma                68.094(2)
_cell_volume                     3783.12(18)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    31214
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      29.9220
_cell_measurement_theta_min      2.7430
_shelx_estimated_absorpt_T_max   0.850
_shelx_estimated_absorpt_T_min   0.811
_exptl_absorpt_coefficient_mu    1.682
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70971
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2018
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.904
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            87211
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.028
_diffrn_reflns_theta_min         2.403
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -23.00  66.00   0.50    2.00    --   -0.10  38.00   0.00  178
  2  ω     59.00  86.00   0.50    2.00    --   -0.10  57.00  60.00   54
  3  ω     49.00  83.00   0.50    2.00    --   -0.10  38.00 150.00   68
  4  ω     -6.00  19.00   0.50    2.00    --   -0.10 -82.00  30.00   50
  5  ω    -12.00  23.00   0.50    2.00    --   -0.10 -38.00  60.00   70
  6  ω    -17.00  30.00   0.50    2.00    --   -0.10 -19.00  90.00   94
  7  ω    -20.00   6.00   0.50    2.00    --   -0.10  38.00 150.00   52
  8  ω    -14.00  40.00   0.50    2.00    --   -0.10  57.00  60.00  108
  9  ω    -31.00  -6.00   0.50    2.00    --   -0.10 -38.00 150.00   50
 10  ω    -33.00  31.00   0.50    2.00    --   -0.10 -82.00   0.00  128
 11  ω    -32.00   6.00   0.50    2.00    --   -0.10 -82.00 -60.00   76
 12  ω    -28.00   9.00   0.50    2.00    --   -0.10 -82.00-120.00   74
 13  ω    -87.00 -62.00   0.50    2.00    --   -0.10 -19.00  90.00   50
 14  ω    -78.00 -53.00   0.50    2.00    --   -0.10 -38.00  60.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0403350000
_diffrn_orient_matrix_UB_12      -0.0408272000
_diffrn_orient_matrix_UB_13      0.0017122000
_diffrn_orient_matrix_UB_21      -0.0105323000
_diffrn_orient_matrix_UB_22      0.0052449000
_diffrn_orient_matrix_UB_23      -0.0381289000
_diffrn_orient_matrix_UB_31      0.0328484000
_diffrn_orient_matrix_UB_32      0.0260164000
_diffrn_orient_matrix_UB_33      -0.0180621000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17018
_reflns_number_total             20002
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.706
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     968
_refine_ls_number_reflns         20002
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0344
_refine_ls_restrained_S_all      1.023
_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)+(0.0388P)²+6.6268P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0874
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Rigid bond restraints
 C67, C57
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C78) = Uanis(C74)
4. Others
 Sof(Ag1B)=1-FVAR(1)
 Sof(Ag1)=FVAR(1)
 Fixed Sof: C74(0.5) H74a(0.5) H74b(0.5) H74c(0.5) C78(0.5) H78(0.5) C79(0.5)
 H79(0.5) C80(0.5) H80(0.5) C75(0.5) C76(0.5) H76(0.5) C77(0.5) H77(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C2(H2a,H2b), C6(H6a,H6b), C7(H7a,H7b)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C10(H10), C11(H11), C12(H12), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19), C20(H20), C23(H23), C26(H26), C29(H29), C31(H31), C33(H33),
  C34(H34), C35(H35), C36(H36), C37(H37), C39(H39), C40(H40), C41(H41),
 C42(H42), C43(H43), C45(H45), C46(H46), C47(H47), C48(H48), C50(H50), C51(H51),
  C52(H52), C53(H53), C55(H55), C56(H56), C58(H58), C61(H61), C62(H62),
 C63(H63), C64(H64), C65(H65), C66(H66), C67(H67), C68(H68), C69(H69), C70(H70),
  C71(H71), C72(H72), C78(H78), C79(H79), C80(H80), C76(H76), C77(H77)
5.c Fitted hexagon refined as free rotating group:
 C78(C79,C80,C75,C76,C77)
5.d Idealised Me refined as rotating group:
 C74(H74a,H74b,H74c), C73(H73a,H73b,H73c)
5.e Idealised tetrahedral OH refined as rotating group:
 O13(H13)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.0066(5) 0.40225(8) 0.73918(8) 0.0433(7) Uani 0.460(12) 1 d . . P A 1
Ag1B Ag -0.0470(4) 0.40076(7) 0.74041(6) 0.0364(5) Uani 0.540(12) 1 d . . P A 2
Ag2 Ag -0.10946(2) 0.37628(2) 0.58626(2) 0.02839(5) Uani 1 1 d . . . . .
Ag3 Ag -0.09000(2) 0.44753(2) 0.41131(2) 0.02858(5) Uani 1 1 d . . . . .
Ag4 Ag 0.09402(2) 0.35074(2) 0.50163(2) 0.02423(5) Uani 1 1 d . . . . .
Ag5 Ag 0.24042(2) 0.45348(2) 0.38174(2) 0.03579(6) Uani 1 1 d . . . . .
Ag6 Ag 0.21689(2) 0.35205(2) 0.61991(2) 0.03185(6) Uani 1 1 d . . . . .
S1 S 0.05362(5) 0.31609(4) 0.64526(4) 0.02289(12) Uani 1 1 d . . . . .
S2 S -0.23327(5) 0.51277(5) 0.49607(4) 0.02471(13) Uani 1 1 d . . . . .
S3 S 0.08374(5) 0.43520(4) 0.35736(4) 0.02311(12) Uani 1 1 d . . . . .
F1 F -0.36054(17) 0.60230(17) 0.19548(16) 0.0618(7) Uani 1 1 d . . . . .
F2 F -0.2282(2) 0.5398(2) 0.13827(15) 0.0735(8) Uani 1 1 d . . . . .
F3 F 0.2667(2) 0.00607(15) 0.46393(16) 0.0593(6) Uani 1 1 d . . . . .
F4 F 0.35532(17) 0.04012(17) 0.5198(2) 0.0694(8) Uani 1 1 d . . . . .
F5 F -0.3058(2) 0.45658(18) 0.22661(19) 0.0799(10) Uani 1 1 d . . . . .
F6 F -0.42356(19) 0.3438(2) 0.7813(2) 0.0915(11) Uani 1 1 d . . . . .
F7 F 0.3263(3) 0.1156(2) 0.39663(19) 0.0917(11) Uani 1 1 d . . . . .
F8 F -0.3075(3) 0.2664(3) 0.86151(16) 0.0997(12) Uani 1 1 d . . . . .
F9 F -0.3296(3) 0.2146(2) 0.7816(2) 0.1090(14) Uani 1 1 d . . . . .
O1 O 0.21309(17) 0.20436(15) 0.50541(13) 0.0358(5) Uani 1 1 d . . . . .
O2 O -0.18135(17) 0.44336(14) 0.32112(13) 0.0341(5) Uani 1 1 d . . . . .
O3 O -0.20394(19) 0.59509(15) 0.26243(14) 0.0396(5) Uani 1 1 d . . . . .
O6 O -0.21912(17) 0.30259(16) 0.67445(13) 0.0370(5) Uani 1 1 d . . . . .
O8 O 0.1105(2) 0.14523(19) 0.48137(19) 0.0534(7) Uani 1 1 d . . . . .
O10 O -0.2519(3) 0.40290(19) 0.73659(17) 0.0621(8) Uani 1 1 d . . . . .
N1 N 0.33119(18) 0.21662(17) 0.68256(15) 0.0316(5) Uani 1 1 d . . . . .
N3 N -0.0298(3) 0.34540(19) 0.87169(16) 0.0472(8) Uani 1 1 d . . . . .
N5 N 0.3788(2) 0.35950(19) 0.34005(18) 0.0387(6) Uani 1 1 d . . . . .
C1 C 0.0621(2) 0.15844(18) 0.77678(16) 0.0274(6) Uani 1 1 d . . . . .
C2 C 0.0809(2) 0.19002(18) 0.68787(16) 0.0280(6) Uani 1 1 d . . . . .
H2A H 0.0389 0.1736 0.6649 0.034 Uiso 1 1 calc R . . . .
H2B H 0.1502 0.1596 0.6748 0.034 Uiso 1 1 calc R . . . .
C3 C -0.0306(2) 0.1493(2) 0.8105(2) 0.0352(7) Uani 1 1 d . . . . .
H3 H -0.0805 0.1624 0.7782 0.042 Uiso 1 1 calc R . . . .
C4 C -0.2149(2) 0.5219(2) 0.27127(17) 0.0302(6) Uani 1 1 d . . . . .
C5 C 0.1922(2) 0.1494(2) 0.48833(19) 0.0359(7) Uani 1 1 d . . . . .
C6 C -0.3457(2) 0.4878(2) 0.4911(2) 0.0318(6) Uani 1 1 d . . . . .
H6A H -0.3393 0.4720 0.4446 0.038 Uiso 1 1 calc R . . . .
H6B H -0.3526 0.4360 0.5380 0.038 Uiso 1 1 calc R . . . .
C7 C 0.1252(3) 0.3454(2) 0.31255(17) 0.0324(6) Uani 1 1 d . . . . .
H7A H 0.1900 0.3022 0.3316 0.039 Uiso 1 1 calc R . . . .
H7B H 0.0780 0.3121 0.3289 0.039 Uiso 1 1 calc R . . . .
C8 C 0.1355(2) 0.1387(2) 0.82595(18) 0.0335(6) Uani 1 1 d . . . . .
H8 H 0.1976 0.1442 0.8039 0.040 Uiso 1 1 calc R . . . .
C9 C -0.2596(3) 0.3371(2) 0.7262(2) 0.0400(8) Uani 1 1 d . . . . .
C10 C 0.3701(2) 0.2034(2) 0.74913(19) 0.0334(6) Uani 1 1 d . . . . .
H10 H 0.3508 0.2520 0.7670 0.040 Uiso 1 1 calc R . . . .
C11 C 0.0253(3) 0.1018(2) 0.94126(18) 0.0399(8) Uani 1 1 d . . . . .
H11 H 0.0129 0.0830 0.9962 0.048 Uiso 1 1 calc R . . . .
C12 C 0.4372(2) 0.1210(2) 0.79180(19) 0.0358(7) Uani 1 1 d . . . . .
H12 H 0.4628 0.1152 0.8370 0.043 Uiso 1 1 calc R . . . .
C13 C -0.0244(3) 0.2729(2) 1.03874(18) 0.0353(7) Uani 1 1 d . . . . .
C14 C 0.2854(3) 0.0759(2) 0.4682(2) 0.0468(9) Uani 1 1 d . . . . .
C15 C 0.0588(3) 0.2882(2) 0.9897(2) 0.0436(8) Uani 1 1 d . . . . .
H15 H 0.1182 0.2745 1.0117 0.052 Uiso 1 1 calc R . . . .
C16 C 0.2214(3) 0.3988(3) 0.1843(2) 0.0468(8) Uani 1 1 d . . . . .
H16 H 0.2767 0.3806 0.2132 0.056 Uiso 1 1 calc R . . . .
C17 C -0.1108(3) 0.2961(2) 1.0013(2) 0.0392(7) Uani 1 1 d . . . . .
H17 H -0.1688 0.2884 1.0314 0.047 Uiso 1 1 calc R . . . .
C18 C 0.0510(3) 0.4150(3) 0.1800(2) 0.0459(8) Uani 1 1 d . . . . .
H18 H -0.0092 0.4083 0.2061 0.055 Uiso 1 1 calc R . . . .
C19 C 0.1170(3) 0.1106(2) 0.90832(19) 0.0397(7) Uani 1 1 d . . . . .
H19 H 0.1664 0.0979 0.9410 0.048 Uiso 1 1 calc R . . . .
C20 C 0.3594(2) 0.1456(2) 0.6582(2) 0.0366(7) Uani 1 1 d . . . . .
H20 H 0.3335 0.1536 0.6122 0.044 Uiso 1 1 calc R . . . .
C21 C -0.4367(2) 0.5711(2) 0.4865(2) 0.0399(8) Uani 1 1 d . . . . .
C22 C -0.2785(3) 0.5293(2) 0.2088(2) 0.0389(7) Uani 1 1 d . . . . .
C23 C -0.0478(3) 0.1206(2) 0.8929(2) 0.0422(8) Uani 1 1 d . . . . .
H23 H -0.1094 0.1140 0.9155 0.051 Uiso 1 1 calc R . . . .
C24 C 0.1326(2) 0.38757(19) 0.22342(16) 0.0304(6) Uani 1 1 d . . . . .
C25 C 0.4666(2) 0.0465(2) 0.7673(2) 0.0376(7) Uani 1 1 d . . . . .
C26 C -0.1098(3) 0.3309(2) 0.9186(2) 0.0435(8) Uani 1 1 d . . . . .
H26 H -0.1679 0.3448 0.8947 0.052 Uiso 1 1 calc R . . . .
C27 C -0.3304(3) 0.2898(3) 0.7879(2) 0.0513(10) Uani 1 1 d . . . . .
C28 C 0.5435(3) -0.0423(2) 0.8086(2) 0.0457(8) Uani 1 1 d . . . . .
C29 C -0.4891(3) 0.5828(3) 0.5552(3) 0.0488(9) Uani 1 1 d . . . . .
H29 H -0.4710 0.5374 0.6047 0.059 Uiso 1 1 calc R . . . .
C30 C -0.0235(3) 0.2385(2) 1.12715(18) 0.0368(7) Uani 1 1 d . . . . .
C31 C -0.0926(3) 0.2890(2) 1.1682(2) 0.0438(8) Uani 1 1 d . . . . .
H31 H -0.1424 0.3417 1.1407 0.053 Uiso 1 1 calc R . . . .
C32 C 0.0500(3) 0.1542(3) 1.1700(2) 0.0450(8) Uani 1 1 d . . . . .
C33 C 0.4258(3) 0.0602(2) 0.6988(2) 0.0424(8) Uani 1 1 d . . . . .
H33 H 0.4430 0.0123 0.6803 0.051 Uiso 1 1 calc R . . . .
C34 C 0.4349(3) 0.3906(3) 0.2757(2) 0.0482(9) Uani 1 1 d . . . . .
H34 H 0.4136 0.4523 0.2434 0.058 Uiso 1 1 calc R . . . .
C35 C 0.4108(3) 0.2694(3) 0.3846(3) 0.0482(9) Uani 1 1 d . . . . .
H35 H 0.3712 0.2476 0.4293 0.058 Uiso 1 1 calc R . . . .
C36 C 0.0525(3) 0.3241(3) 0.9076(2) 0.0491(9) Uani 1 1 d . . . . .
H36 H 0.1089 0.3339 0.8760 0.059 Uiso 1 1 calc R . . . .
C37 C 0.1465(4) 0.4642(3) 0.0587(2) 0.0607(13) Uani 1 1 d . . . . .
H37 H 0.1509 0.4900 0.0035 0.073 Uiso 1 1 calc R . . . .
C38 C 0.5588(3) 0.2379(3) 0.3037(3) 0.0527(10) Uani 1 1 d . . . . .
C39 C 0.4985(3) 0.2077(3) 0.3680(3) 0.0588(11) Uani 1 1 d . . . . .
H39 H 0.5164 0.1459 0.4003 0.071 Uiso 1 1 calc R . . . .
C40 C 0.5257(3) 0.3316(3) 0.2560(3) 0.0563(11) Uani 1 1 d . . . . .
H40 H 0.5643 0.3545 0.2110 0.068 Uiso 1 1 calc R . . . .
C41 C -0.4669(3) 0.6393(3) 0.4131(3) 0.0530(10) Uani 1 1 d . . . . .
H41 H -0.4339 0.6315 0.3663 0.064 Uiso 1 1 calc R . . . .
C42 C 0.1170(3) 0.0920(3) 1.1340(2) 0.0539(10) Uani 1 1 d . . . . .
H42 H 0.1179 0.1081 1.0792 0.065 Uiso 1 1 calc R . . . .
C43 C 0.2281(4) 0.4376(3) 0.1012(2) 0.0623(12) Uani 1 1 d . . . . .
H43 H 0.2879 0.4454 0.0747 0.075 Uiso 1 1 calc R . . . .
C44 C 0.6171(4) -0.1744(3) 0.9264(3) 0.0568(11) Uani 1 1 d . . . . .
C45 C 0.6102(4) -0.2242(3) 1.0093(3) 0.0646(13) Uani 1 1 d . . . . .
H45 H 0.6607 -0.2791 1.0320 0.077 Uiso 1 1 calc R . . . .
C46 C 0.5313(4) -0.1932(3) 1.0563(3) 0.0648(13) Uani 1 1 d . . . . .
H46 H 0.5289 -0.2274 1.1105 0.078 Uiso 1 1 calc R . . . .
C47 C 0.4531(4) -0.1105(3) 1.0251(3) 0.0608(11) Uani 1 1 d . . . . .
H47 H 0.4000 -0.0898 1.0582 0.073 Uiso 1 1 calc R . . . .
C48 C 0.4565(3) -0.0605(3) 0.9443(2) 0.0523(10) Uani 1 1 d . . . . .
H48 H 0.4045 -0.0062 0.9232 0.063 Uiso 1 1 calc R . . . .
C49 C 0.5375(3) -0.0900(2) 0.8930(2) 0.0451(8) Uani 1 1 d . . . . .
C50 C -0.5691(3) 0.6630(3) 0.5499(3) 0.0616(12) Uani 1 1 d . . . . .
H50 H -0.6043 0.6706 0.5962 0.074 Uiso 1 1 calc R . . . .
C51 C 0.6237(3) -0.0773(3) 0.7626(3) 0.0601(11) Uani 1 1 d . . . . .
H51 H 0.6263 -0.0461 0.7078 0.072 Uiso 1 1 calc R . . . .
C52 C 0.0585(4) 0.4527(3) 0.0976(2) 0.0619(12) Uani 1 1 d . . . . .
H52 H 0.0035 0.4703 0.0686 0.074 Uiso 1 1 calc R . . . .
C53 C 0.6985(4) -0.2062(3) 0.8764(3) 0.0683(14) Uani 1 1 d . . . . .
H53 H 0.7504 -0.2600 0.8987 0.082 Uiso 1 1 calc R . . . .
C54 C 0.0505(4) 0.1274(3) 1.2549(2) 0.0544(10) Uani 1 1 d . . . . .
C55 C -0.0902(4) 0.2633(3) 1.2515(2) 0.0527(10) Uani 1 1 d . . . . .
H55 H -0.1375 0.2993 1.2780 0.063 Uiso 1 1 calc R . . . .
C56 C -0.0185(4) 0.1859(3) 1.2928(2) 0.0563(11) Uani 1 1 d . . . . .
H56 H -0.0150 0.1712 1.3469 0.068 Uiso 1 1 calc R . . . .
C57 C 0.7815(3) 0.1040(2) 0.1987(3) 0.0520(10) Uani 1 1 d . U . . .
C58 C 0.7261(3) 0.1240(3) 0.3461(3) 0.0543(10) Uani 1 1 d . . . . .
H58 H 0.7083 0.1312 0.3951 0.065 Uiso 1 1 calc R . . . .
C59 C 0.6843(3) 0.1626(2) 0.2148(3) 0.0476(9) Uani 1 1 d . . . . .
C60 C 0.6578(3) 0.1726(3) 0.2886(3) 0.0537(10) Uani 1 1 d . . . . .
C61 C 0.6159(3) 0.2084(3) 0.1502(3) 0.0518(10) Uani 1 1 d . . . . .
H61 H 0.5519 0.2471 0.1572 0.062 Uiso 1 1 calc R . . . .
C62 C 0.1192(4) 0.0411(4) 1.2976(3) 0.0746(15) Uani 1 1 d . . . . .
H62 H 0.1217 0.0240 1.3522 0.090 Uiso 1 1 calc R . . . .
C63 C 0.1808(4) 0.0085(3) 1.1783(3) 0.0730(14) Uani 1 1 d . . . . .
H63 H 0.2237 -0.0311 1.1533 0.088 Uiso 1 1 calc R . . . .
C64 C -0.5470(3) 0.7194(3) 0.4098(4) 0.0727(16) Uani 1 1 d . . . . .
H64 H -0.5665 0.7655 0.3609 0.087 Uiso 1 1 calc R . . . .
C65 C -0.5967(3) 0.7301(3) 0.4787(4) 0.0736(17) Uani 1 1 d . . . . .
H65 H -0.6495 0.7836 0.4765 0.088 Uiso 1 1 calc R . . . .
C66 C 0.1812(5) -0.0171(4) 1.2615(3) 0.0861(18) Uani 1 1 d . . . . .
H66 H 0.2239 -0.0738 1.2913 0.103 Uiso 1 1 calc R . . . .
C67 C 0.8506(4) 0.0542(3) 0.2614(3) 0.0648(12) Uani 1 1 d . U . . .
H67 H 0.9142 0.0159 0.2529 0.078 Uiso 1 1 calc R . . . .
C68 C 0.8060(4) 0.0947(3) 0.1269(3) 0.0652(13) Uani 1 1 d . . . . .
H68 H 0.8697 0.0572 0.1175 0.078 Uiso 1 1 calc R . . . .
C69 C 0.8206(3) 0.0642(3) 0.3356(3) 0.0618(11) Uani 1 1 d . . . . .
H69 H 0.8635 0.0313 0.3773 0.074 Uiso 1 1 calc R . . . .
C70 C 0.6454(4) 0.1946(3) 0.0790(3) 0.0594(11) Uani 1 1 d . . . . .
H70 H 0.6011 0.2232 0.0385 0.071 Uiso 1 1 calc R . . . .
C71 C 0.7402(4) 0.1387(3) 0.0678(3) 0.0724(14) Uani 1 1 d . . . . .
H71 H 0.7599 0.1307 0.0191 0.087 Uiso 1 1 calc R . . . .
C72 C 0.7019(4) -0.1595(3) 0.7967(3) 0.0708(14) Uani 1 1 d . . . . .
H72 H 0.7555 -0.1815 0.7646 0.085 Uiso 1 1 calc R . . . .
C74 C 0.4710(12) 0.4391(11) -0.0750(9) 0.085(2) Uani 0.5 1 d . . P B -1
H74A H 0.5319 0.4143 -0.1025 0.127 Uiso 0.5 1 calc GR . P B -1
H74B H 0.4238 0.4863 -0.1131 0.127 Uiso 0.5 1 calc GR . P B -1
H74C H 0.4436 0.3911 -0.0428 0.127 Uiso 0.5 1 calc GR . P B -1
C78 C 0.5274(7) 0.5454(6) 0.0760(5) 0.085(2) Uani 0.5 1 d . . P B -1
H78 H 0.5395 0.5685 0.1103 0.102 Uiso 0.5 1 calc R . P B -1
C79 C 0.6021(5) 0.4742(5) 0.0575(4) 0.062(2) Uani 0.5 1 d G . P B -1
H79 H 0.6642 0.4497 0.0792 0.074 Uiso 0.5 1 calc R . P B -1
C80 C 0.5840(5) 0.4397(4) 0.0063(5) 0.072(6) Uani 0.5 1 d G . P B -1
H80 H 0.6340 0.3921 -0.0061 0.086 Uiso 0.5 1 calc R . P B -1
C75 C 0.4912(6) 0.4764(5) -0.0262(5) 0.062(2) Uani 0.5 1 d G . P B -1
C76 C 0.4165(5) 0.5475(5) -0.0076(4) 0.049(4) Uani 0.5 1 d G . P B -1
H76 H 0.3544 0.5721 -0.0294 0.059 Uiso 0.5 1 calc R . P B -1
C77 C 0.4346(6) 0.5820(5) 0.0435(5) 0.072(3) Uani 0.5 1 d G . P B -1
H77 H 0.3846 0.6296 0.0559 0.086 Uiso 0.5 1 calc R . P B -1
O13 O -0.06754(19) 0.26738(18) 0.50131(19) 0.0496(6) Uani 1 1 d . . . . .
H13 H -0.0138 0.2259 0.5048 0.074 Uiso 1 1 calc GR . . . .
C73 C -0.1461(3) 0.2345(3) 0.5042(3) 0.0574(10) Uani 1 1 d . . . . .
H73A H -0.1684 0.2564 0.4515 0.086 Uiso 1 1 calc GR . . . .
H73B H -0.2007 0.2563 0.5382 0.086 Uiso 1 1 calc GR . . . .
H73C H -0.1222 0.1686 0.5247 0.086 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S1 2.5110(14) . ?
Ag1 S3 2.5458(16) 2_566 ?
Ag1 N3 2.237(3) . ?
Ag1B Ag2 3.347(3) . ?
Ag1B S1 2.5777(14) . ?
Ag1B S3 2.5366(12) 2_566 ?
Ag1B N3 2.236(3) . ?
Ag2 Ag3 2.9404(3) . ?
Ag2 Ag4 3.0036(3) . ?
Ag2 Ag5 2.9992(3) 2_566 ?
Ag2 S1 2.4649(7) . ?
Ag2 S2 2.5017(7) . ?
Ag2 O6 2.348(2) . ?
Ag3 Ag4 2.9640(3) . ?
Ag3 Ag6 3.0510(3) 2_566 ?
Ag3 S2 2.5126(7) . ?
Ag3 S3 2.4718(7) . ?
Ag3 O2 2.345(2) . ?
Ag4 Ag5 3.1858(3) . ?
Ag4 Ag6 3.0716(3) . ?
Ag4 S1 2.4603(7) . ?
Ag4 S3 2.4575(6) . ?
Ag4 O1 2.403(2) . ?
Ag5 Ag2 2.9991(3) 2_566 ?
Ag5 S2 2.5003(7) 2_566 ?
Ag5 S3 2.5356(7) . ?
Ag5 O10 2.557(3) 2_566 ?
Ag5 N5 2.255(3) . ?
Ag6 Ag3 3.0510(3) 2_566 ?
Ag6 S1 2.5572(7) . ?
Ag6 S2 2.4674(7) 2_566 ?
Ag6 O3 2.598(2) 2_566 ?
Ag6 N1 2.253(2) . ?
S1 C2 1.853(3) . ?
S2 Ag5 2.5004(7) 2_566 ?
S2 Ag6 2.4674(7) 2_566 ?
S2 C6 1.848(3) . ?
S3 Ag1 2.5457(16) 2_566 ?
S3 Ag1B 2.5366(12) 2_566 ?
S3 C7 1.856(3) . ?
F1 C22 1.326(4) . ?
F2 C22 1.334(4) . ?
F3 C14 1.334(4) . ?
F4 C14 1.320(5) . ?
F5 C22 1.322(4) . ?
F6 C27 1.308(5) . ?
F7 C14 1.345(5) . ?
F8 C27 1.320(5) . ?
F9 C27 1.312(5) . ?
O1 C5 1.235(4) . ?
O2 C4 1.244(4) . ?
O3 Ag6 2.598(2) 2_566 ?
O3 C4 1.242(4) . ?
O6 C9 1.245(4) . ?
O8 C5 1.239(4) . ?
O10 Ag5 2.557(3) 2_566 ?
O10 C9 1.243(5) . ?
N1 C10 1.348(4) . ?
N1 C20 1.338(4) . ?
N3 C26 1.336(5) . ?
N3 C36 1.332(6) . ?
N5 C34 1.331(5) . ?
N5 C35 1.346(5) . ?
C1 C2 1.503(4) . ?
C1 C3 1.395(4) . ?
C1 C8 1.385(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 H3 0.9300 . ?
C3 C23 1.393(5) . ?
C4 C22 1.544(4) . ?
C5 C14 1.550(5) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C21 1.508(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C24 1.500(4) . ?
C8 H8 0.9300 . ?
C8 C19 1.395(4) . ?
C9 C27 1.545(5) . ?
C10 H10 0.9300 . ?
C10 C12 1.378(4) . ?
C11 H11 0.9300 . ?
C11 C19 1.377(5) . ?
C11 C23 1.376(5) . ?
C12 H12 0.9300 . ?
C12 C25 1.391(5) . ?
C13 C15 1.393(5) . ?
C13 C17 1.391(5) . ?
C13 C30 1.490(4) . ?
C15 H15 0.9300 . ?
C15 C36 1.388(5) . ?
C16 H16 0.9300 . ?
C16 C24 1.380(5) . ?
C16 C43 1.399(5) . ?
C17 H17 0.9300 . ?
C17 C26 1.391(5) . ?
C18 H18 0.9300 . ?
C18 C24 1.378(5) . ?
C18 C52 1.386(5) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C20 C33 1.391(4) . ?
C21 C29 1.384(6) . ?
C21 C41 1.394(5) . ?
C23 H23 0.9300 . ?
C25 C28 1.491(4) . ?
C25 C33 1.391(5) . ?
C26 H26 0.9300 . ?
C28 C49 1.434(5) . ?
C28 C51 1.380(6) . ?
C29 H29 0.9300 . ?
C29 C50 1.392(5) . ?
C30 C31 1.368(5) . ?
C30 C32 1.437(5) . ?
C31 H31 0.9300 . ?
C31 C55 1.417(5) . ?
C32 C42 1.419(5) . ?
C32 C54 1.439(5) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C34 C40 1.401(5) . ?
C35 H35 0.9300 . ?
C35 C39 1.376(5) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C37 C43 1.372(7) . ?
C37 C52 1.369(7) . ?
C38 C39 1.362(6) . ?
C38 C40 1.406(6) . ?
C38 C60 1.497(5) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C41 C64 1.399(6) . ?
C42 H42 0.9300 . ?
C42 C63 1.376(6) . ?
C43 H43 0.9300 . ?
C44 C45 1.419(6) . ?
C44 C49 1.440(5) . ?
C44 C53 1.416(7) . ?
C45 H45 0.9300 . ?
C45 C46 1.359(8) . ?
C46 H46 0.9300 . ?
C46 C47 1.408(7) . ?
C47 H47 0.9300 . ?
C47 C48 1.382(6) . ?
C48 H48 0.9300 . ?
C48 C49 1.418(6) . ?
C50 H50 0.9300 . ?
C50 C65 1.353(8) . ?
C51 H51 0.9300 . ?
C51 C72 1.412(5) . ?
C52 H52 0.9300 . ?
C53 H53 0.9300 . ?
C53 C72 1.358(7) . ?
C54 C56 1.410(6) . ?
C54 C62 1.424(6) . ?
C55 H55 0.9300 . ?
C55 C56 1.361(6) . ?
C56 H56 0.9300 . ?
C57 C59 1.438(5) . ?
C57 C67 1.440(7) . ?
C57 C68 1.352(7) . ?
C58 H58 0.9300 . ?
C58 C60 1.367(6) . ?
C58 C69 1.392(5) . ?
C59 C60 1.393(6) . ?
C59 C61 1.461(6) . ?
C61 H61 0.9300 . ?
C61 C70 1.375(6) . ?
C62 H62 0.9300 . ?
C62 C66 1.354(8) . ?
C63 H63 0.9300 . ?
C63 C66 1.411(7) . ?
C64 H64 0.9300 . ?
C64 C65 1.369(8) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C67 H67 0.9300 . ?
C67 C69 1.403(7) . ?
C68 H68 0.9300 . ?
C68 C71 1.365(8) . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C70 C71 1.372(7) . ?
C71 H71 0.9300 . ?
C72 H72 0.9300 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C74 C75 1.403(12) . ?
C78 H78 0.9300 . ?
C78 C79 1.3900 . ?
C78 C77 1.3900 . ?
C79 H79 0.9300 . ?
C79 C80 1.3900 . ?
C80 H80 0.9300 . ?
C80 C75 1.3900 . ?
C75 C76 1.3900 . ?
C76 H76 0.9300 . ?
C76 C77 1.3900 . ?
C77 H77 0.9300 . ?
O13 H13 0.8200 . ?
O13 C73 1.418(5) . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1 Ag1 S3 100.57(5) . 2_566 ?
N3 Ag1 S1 127.93(10) . . ?
N3 Ag1 S3 128.83(15) . 2_566 ?
S1 Ag1B Ag2 46.98(4) . . ?
S3 Ag1B Ag2 80.82(6) 2_566 . ?
S3 Ag1B S1 99.03(5) 2_566 . ?
N3 Ag1B Ag2 147.17(16) . . ?
N3 Ag1B S1 124.72(12) . . ?
N3 Ag1B S3 129.31(11) . 2_566 ?
Ag3 Ag2 Ag1B 139.46(6) . . ?
Ag3 Ag2 Ag4 59.810(7) . . ?
Ag3 Ag2 Ag5 101.178(9) . 2_566 ?
Ag4 Ag2 Ag1B 95.77(8) . . ?
Ag5 Ag2 Ag1B 65.19(4) 2_566 . ?
Ag5 Ag2 Ag4 125.415(10) 2_566 . ?
S1 Ag2 Ag1B 49.87(7) . . ?
S1 Ag2 Ag3 111.745(17) . . ?
S1 Ag2 Ag4 52.354(16) . . ?
S1 Ag2 Ag5 110.651(18) . 2_566 ?
S1 Ag2 S2 145.89(2) . . ?
S2 Ag2 Ag1B 117.03(4) . . ?
S2 Ag2 Ag3 54.269(17) . . ?
S2 Ag2 Ag4 108.693(17) . . ?
S2 Ag2 Ag5 53.139(17) . 2_566 ?
O6 Ag2 Ag1B 88.13(9) . . ?
O6 Ag2 Ag3 130.80(6) . . ?
O6 Ag2 Ag4 145.68(6) . . ?
O6 Ag2 Ag5 87.10(6) . 2_566 ?
O6 Ag2 S1 110.07(6) . . ?
O6 Ag2 S2 99.55(6) . . ?
Ag2 Ag3 Ag4 61.153(7) . . ?
Ag2 Ag3 Ag6 99.060(9) . 2_566 ?
Ag4 Ag3 Ag6 124.562(10) . 2_566 ?
S2 Ag3 Ag2 53.927(16) . . ?
S2 Ag3 Ag4 109.608(17) . . ?
S2 Ag3 Ag6 51.552(17) . 2_566 ?
S3 Ag3 Ag2 113.474(17) . . ?
S3 Ag3 Ag4 52.816(15) . . ?
S3 Ag3 Ag6 110.501(18) . 2_566 ?
S3 Ag3 S2 146.22(2) . . ?
O2 Ag3 Ag2 128.58(6) . . ?
O2 Ag3 Ag4 144.43(5) . . ?
O2 Ag3 Ag6 89.70(5) . 2_566 ?
O2 Ag3 S2 98.97(6) . . ?
O2 Ag3 S3 110.22(6) . . ?
Ag2 Ag4 Ag5 144.865(9) . . ?
Ag2 Ag4 Ag6 101.766(9) . . ?
Ag3 Ag4 Ag2 59.037(7) . . ?
Ag3 Ag4 Ag5 100.339(9) . . ?
Ag3 Ag4 Ag6 145.679(10) . . ?
Ag6 Ag4 Ag5 79.515(8) . . ?
S1 Ag4 Ag2 52.492(16) . . ?
S1 Ag4 Ag3 111.114(17) . . ?
S1 Ag4 Ag5 131.528(18) . . ?
S1 Ag4 Ag6 53.696(17) . . ?
S3 Ag4 Ag2 111.816(17) . . ?
S3 Ag4 Ag3 53.259(16) . . ?
S3 Ag4 Ag5 51.443(17) . . ?
S3 Ag4 Ag6 129.636(19) . . ?
S3 Ag4 S1 159.37(2) . . ?
O1 Ag4 Ag2 124.21(6) . . ?
O1 Ag4 Ag3 125.31(6) . . ?
O1 Ag4 Ag5 90.82(6) . . ?
O1 Ag4 Ag6 88.91(6) . . ?
O1 Ag4 S1 99.32(5) . . ?
O1 Ag4 S3 101.07(5) . . ?
Ag2 Ag5 Ag4 87.881(9) 2_566 . ?
S2 Ag5 Ag2 53.181(16) 2_566 2_566 ?
S2 Ag5 Ag4 77.175(17) 2_566 . ?
S2 Ag5 S3 115.96(2) 2_566 . ?
S2 Ag5 O10 106.19(7) 2_566 2_566 ?
S3 Ag5 Ag2 88.137(16) . 2_566 ?
S3 Ag5 Ag4 49.280(15) . . ?
S3 Ag5 O10 102.65(9) . 2_566 ?
O10 Ag5 Ag2 69.34(6) 2_566 2_566 ?
O10 Ag5 Ag4 145.52(8) 2_566 . ?
N5 Ag5 Ag2 157.30(7) . 2_566 ?
N5 Ag5 Ag4 113.76(8) . . ?
N5 Ag5 S2 122.61(8) . 2_566 ?
N5 Ag5 S3 110.87(8) . . ?
N5 Ag5 O10 93.63(10) . 2_566 ?
Ag3 Ag6 Ag4 88.467(8) 2_566 . ?
S1 Ag6 Ag3 87.655(16) . 2_566 ?
S1 Ag6 Ag4 50.837(15) . . ?
S1 Ag6 O3 100.44(6) . 2_566 ?
S2 Ag6 Ag3 52.893(17) 2_566 2_566 ?
S2 Ag6 Ag4 79.900(17) 2_566 . ?
S2 Ag6 S1 118.72(2) 2_566 . ?
S2 Ag6 O3 101.83(5) 2_566 2_566 ?
O3 Ag6 Ag3 66.03(5) 2_566 2_566 ?
O3 Ag6 Ag4 143.68(6) 2_566 . ?
N1 Ag6 Ag3 155.48(7) . 2_566 ?
N1 Ag6 Ag4 115.74(7) . . ?
N1 Ag6 S1 104.30(7) . . ?
N1 Ag6 S2 131.57(7) . 2_566 ?
N1 Ag6 O3 90.50(9) . 2_566 ?
Ag1 S1 Ag6 88.83(18) . . ?
Ag2 S1 Ag1 94.61(16) . . ?
Ag2 S1 Ag1B 83.14(11) . . ?
Ag2 S1 Ag6 139.62(3) . . ?
Ag4 S1 Ag1 137.63(6) . . ?
Ag4 S1 Ag1B 138.84(4) . . ?
Ag4 S1 Ag2 75.155(19) . . ?
Ag4 S1 Ag6 75.47(2) . . ?
Ag6 S1 Ag1B 101.79(12) . . ?
C2 S1 Ag1 117.92(10) . . ?
C2 S1 Ag1B 114.68(10) . . ?
C2 S1 Ag2 104.18(10) . . ?
C2 S1 Ag4 104.44(9) . . ?
C2 S1 Ag6 109.53(10) . . ?
Ag2 S2 Ag3 71.804(18) . . ?
Ag5 S2 Ag2 73.68(2) 2_566 . ?
Ag5 S2 Ag3 132.54(3) 2_566 . ?
Ag6 S2 Ag2 133.08(3) 2_566 . ?
Ag6 S2 Ag3 75.56(2) 2_566 . ?
Ag6 S2 Ag5 107.37(3) 2_566 2_566 ?
C6 S2 Ag2 111.92(10) . . ?
C6 S2 Ag3 110.80(10) . . ?
C6 S2 Ag5 111.77(11) . 2_566 ?
C6 S2 Ag6 110.70(10) . 2_566 ?
Ag3 S3 Ag1 84.98(17) . 2_566 ?
Ag3 S3 Ag1B 97.08(11) . 2_566 ?
Ag3 S3 Ag5 141.32(3) . . ?
Ag4 S3 Ag1 139.04(5) . 2_566 ?
Ag4 S3 Ag1B 138.94(4) . 2_566 ?
Ag4 S3 Ag3 73.925(19) . . ?
Ag4 S3 Ag5 79.28(2) . . ?
Ag5 S3 Ag1 98.02(17) . 2_566 ?
Ag5 S3 Ag1B 85.14(12) . 2_566 ?
C7 S3 Ag1 114.49(10) . 2_566 ?
C7 S3 Ag1B 115.72(10) . 2_566 ?
C7 S3 Ag3 106.68(11) . . ?
C7 S3 Ag4 105.15(9) . . ?
C7 S3 Ag5 106.92(11) . . ?
C5 O1 Ag4 122.6(2) . . ?
C4 O2 Ag3 109.36(19) . . ?
C4 O3 Ag6 123.1(2) . 2_566 ?
C9 O6 Ag2 112.0(2) . . ?
C9 O10 Ag5 120.8(2) . 2_566 ?
C10 N1 Ag6 120.2(2) . . ?
C20 N1 Ag6 122.2(2) . . ?
C20 N1 C10 117.6(3) . . ?
C26 N3 Ag1 131.6(3) . . ?
C26 N3 Ag1B 116.5(3) . . ?
C36 N3 Ag1 111.5(3) . . ?
C36 N3 Ag1B 126.5(3) . . ?
C36 N3 C26 116.9(3) . . ?
C34 N5 Ag5 122.4(2) . . ?
C34 N5 C35 118.0(3) . . ?
C35 N5 Ag5 119.4(2) . . ?
C3 C1 C2 119.9(3) . . ?
C8 C1 C2 120.8(3) . . ?
C8 C1 C3 119.3(3) . . ?
S1 C2 H2A 109.6 . . ?
S1 C2 H2B 109.6 . . ?
C1 C2 S1 110.27(19) . . ?
C1 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
C1 C3 H3 120.2 . . ?
C23 C3 C1 119.6(3) . . ?
C23 C3 H3 120.2 . . ?
O2 C4 C22 114.7(3) . . ?
O3 C4 O2 130.6(3) . . ?
O3 C4 C22 114.7(3) . . ?
O1 C5 O8 131.3(3) . . ?
O1 C5 C14 113.4(3) . . ?
O8 C5 C14 115.2(3) . . ?
S2 C6 H6A 109.8 . . ?
S2 C6 H6B 109.8 . . ?
H6A C6 H6B 108.3 . . ?
C21 C6 S2 109.2(2) . . ?
C21 C6 H6A 109.8 . . ?
C21 C6 H6B 109.8 . . ?
S3 C7 H7A 109.5 . . ?
S3 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
C24 C7 S3 110.7(2) . . ?
C24 C7 H7A 109.5 . . ?
C24 C7 H7B 109.5 . . ?
C1 C8 H8 119.8 . . ?
C1 C8 C19 120.5(3) . . ?
C19 C8 H8 119.8 . . ?
O6 C9 C27 114.7(3) . . ?
O10 C9 O6 130.5(3) . . ?
O10 C9 C27 114.7(3) . . ?
N1 C10 H10 118.6 . . ?
N1 C10 C12 122.9(3) . . ?
C12 C10 H10 118.6 . . ?
C19 C11 H11 120.0 . . ?
C23 C11 H11 120.0 . . ?
C23 C11 C19 120.0(3) . . ?
C10 C12 H12 120.0 . . ?
C10 C12 C25 120.1(3) . . ?
C25 C12 H12 120.0 . . ?
C15 C13 C30 122.0(3) . . ?
C17 C13 C15 116.8(3) . . ?
C17 C13 C30 121.1(3) . . ?
F3 C14 F7 106.5(3) . . ?
F3 C14 C5 114.7(3) . . ?
F4 C14 F3 106.9(3) . . ?
F4 C14 F7 106.8(4) . . ?
F4 C14 C5 112.4(3) . . ?
F7 C14 C5 109.0(3) . . ?
C13 C15 H15 120.2 . . ?
C36 C15 C13 119.6(4) . . ?
C36 C15 H15 120.2 . . ?
C24 C16 H16 120.0 . . ?
C24 C16 C43 119.9(4) . . ?
C43 C16 H16 120.0 . . ?
C13 C17 H17 120.2 . . ?
C26 C17 C13 119.6(4) . . ?
C26 C17 H17 120.2 . . ?
C24 C18 H18 119.9 . . ?
C24 C18 C52 120.2(4) . . ?
C52 C18 H18 119.9 . . ?
C8 C19 H19 120.0 . . ?
C11 C19 C8 119.9(3) . . ?
C11 C19 H19 120.0 . . ?
N1 C20 H20 118.7 . . ?
N1 C20 C33 122.6(3) . . ?
C33 C20 H20 118.7 . . ?
C29 C21 C6 120.5(3) . . ?
C29 C21 C41 119.1(3) . . ?
C41 C21 C6 120.4(4) . . ?
F1 C22 F2 105.0(3) . . ?
F1 C22 C4 112.3(3) . . ?
F2 C22 C4 111.0(3) . . ?
F5 C22 F1 107.7(3) . . ?
F5 C22 F2 105.8(3) . . ?
F5 C22 C4 114.4(3) . . ?
C3 C23 H23 119.7 . . ?
C11 C23 C3 120.7(3) . . ?
C11 C23 H23 119.7 . . ?
C16 C24 C7 120.1(3) . . ?
C18 C24 C7 120.3(3) . . ?
C18 C24 C16 119.6(3) . . ?
C12 C25 C28 122.1(3) . . ?
C12 C25 C33 116.9(3) . . ?
C33 C25 C28 120.8(3) . . ?
N3 C26 C17 123.4(4) . . ?
N3 C26 H26 118.3 . . ?
C17 C26 H26 118.3 . . ?
F6 C27 F8 107.1(4) . . ?
F6 C27 F9 105.6(4) . . ?
F6 C27 C9 111.6(3) . . ?
F8 C27 C9 111.7(4) . . ?
F9 C27 F8 106.1(4) . . ?
F9 C27 C9 114.2(3) . . ?
C49 C28 C25 122.4(3) . . ?
C51 C28 C25 117.5(3) . . ?
C51 C28 C49 120.1(3) . . ?
C21 C29 H29 120.2 . . ?
C21 C29 C50 119.6(4) . . ?
C50 C29 H29 120.2 . . ?
C31 C30 C13 119.4(3) . . ?
C31 C30 C32 119.3(3) . . ?
C32 C30 C13 121.3(3) . . ?
C30 C31 H31 119.1 . . ?
C30 C31 C55 121.7(4) . . ?
C55 C31 H31 119.1 . . ?
C30 C32 C54 118.5(3) . . ?
C42 C32 C30 123.3(3) . . ?
C42 C32 C54 117.9(4) . . ?
C20 C33 C25 119.9(3) . . ?
C20 C33 H33 120.0 . . ?
C25 C33 H33 120.0 . . ?
N5 C34 H34 119.5 . . ?
N5 C34 C40 120.9(4) . . ?
C40 C34 H34 119.5 . . ?
N5 C35 H35 118.0 . . ?
N5 C35 C39 123.9(4) . . ?
C39 C35 H35 118.0 . . ?
N3 C36 C15 123.7(4) . . ?
N3 C36 H36 118.2 . . ?
C15 C36 H36 118.2 . . ?
C43 C37 H37 119.9 . . ?
C52 C37 H37 119.9 . . ?
C52 C37 C43 120.1(3) . . ?
C39 C38 C40 117.3(3) . . ?
C39 C38 C60 119.8(4) . . ?
C40 C38 C60 122.9(4) . . ?
C35 C39 H39 120.3 . . ?
C38 C39 C35 119.4(4) . . ?
C38 C39 H39 120.3 . . ?
C34 C40 C38 120.4(4) . . ?
C34 C40 H40 119.8 . . ?
C38 C40 H40 119.8 . . ?
C21 C41 H41 120.1 . . ?
C21 C41 C64 119.9(5) . . ?
C64 C41 H41 120.1 . . ?
C32 C42 H42 119.2 . . ?
C63 C42 C32 121.6(4) . . ?
C63 C42 H42 119.2 . . ?
C16 C43 H43 120.1 . . ?
C37 C43 C16 119.9(4) . . ?
C37 C43 H43 120.1 . . ?
C45 C44 C49 118.1(5) . . ?
C53 C44 C45 121.9(4) . . ?
C53 C44 C49 120.0(4) . . ?
C44 C45 H45 119.4 . . ?
C46 C45 C44 121.2(4) . . ?
C46 C45 H45 119.4 . . ?
C45 C46 H46 119.2 . . ?
C45 C46 C47 121.6(4) . . ?
C47 C46 H46 119.2 . . ?
C46 C47 H47 120.5 . . ?
C48 C47 C46 118.9(5) . . ?
C48 C47 H47 120.5 . . ?
C47 C48 H48 119.3 . . ?
C47 C48 C49 121.4(4) . . ?
C49 C48 H48 119.3 . . ?
C28 C49 C44 117.4(4) . . ?
C48 C49 C28 123.8(3) . . ?
C48 C49 C44 118.7(4) . . ?
C29 C50 H50 119.4 . . ?
C65 C50 C29 121.2(5) . . ?
C65 C50 H50 119.4 . . ?
C28 C51 H51 119.2 . . ?
C28 C51 C72 121.6(4) . . ?
C72 C51 H51 119.2 . . ?
C18 C52 H52 119.8 . . ?
C37 C52 C18 120.4(4) . . ?
C37 C52 H52 119.8 . . ?
C44 C53 H53 119.5 . . ?
C72 C53 C44 121.1(4) . . ?
C72 C53 H53 119.5 . . ?
C56 C54 C32 119.2(4) . . ?
C56 C54 C62 122.5(4) . . ?
C62 C54 C32 118.2(4) . . ?
C31 C55 H55 120.1 . . ?
C56 C55 C31 119.8(4) . . ?
C56 C55 H55 120.1 . . ?
C54 C56 H56 119.4 . . ?
C55 C56 C54 121.1(3) . . ?
C55 C56 H56 119.4 . . ?
C59 C57 C67 118.3(4) . . ?
C68 C57 C59 120.4(5) . . ?
C68 C57 C67 121.3(4) . . ?
C60 C58 H58 118.1 . . ?
C60 C58 C69 123.8(4) . . ?
C69 C58 H58 118.1 . . ?
C57 C59 C61 115.9(4) . . ?
C60 C59 C57 121.1(4) . . ?
C60 C59 C61 123.0(4) . . ?
C58 C60 C38 120.6(4) . . ?
C58 C60 C59 118.4(4) . . ?
C59 C60 C38 121.0(4) . . ?
C59 C61 H61 119.7 . . ?
C70 C61 C59 120.5(4) . . ?
C70 C61 H61 119.7 . . ?
C54 C62 H62 118.9 . . ?
C66 C62 C54 122.3(4) . . ?
C66 C62 H62 118.9 . . ?
C42 C63 H63 119.9 . . ?
C42 C63 C66 120.2(5) . . ?
C66 C63 H63 119.9 . . ?
C41 C64 H64 120.0 . . ?
C65 C64 C41 120.0(5) . . ?
C65 C64 H64 120.0 . . ?
C50 C65 C64 120.2(4) . . ?
C50 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C62 C66 C63 119.8(5) . . ?
C62 C66 H66 120.1 . . ?
C63 C66 H66 120.1 . . ?
C57 C67 H67 120.4 . . ?
C69 C67 C57 119.1(4) . . ?
C69 C67 H67 120.4 . . ?
C57 C68 H68 119.0 . . ?
C57 C68 C71 122.1(5) . . ?
C71 C68 H68 119.0 . . ?
C58 C69 C67 119.2(5) . . ?
C58 C69 H69 120.4 . . ?
C67 C69 H69 120.4 . . ?
C61 C70 H70 119.9 . . ?
C71 C70 C61 120.1(5) . . ?
C71 C70 H70 119.9 . . ?
C68 C71 C70 121.0(5) . . ?
C68 C71 H71 119.5 . . ?
C70 C71 H71 119.5 . . ?
C51 C72 H72 120.1 . . ?
C53 C72 C51 119.8(5) . . ?
C53 C72 H72 120.1 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C75 C74 H74A 109.5 . . ?
C75 C74 H74B 109.5 . . ?
C75 C74 H74C 109.5 . . ?
C79 C78 H78 120.0 . . ?
C79 C78 C77 120.0 . . ?
C77 C78 H78 120.0 . . ?
C78 C79 H79 120.0 . . ?
C78 C79 C80 120.0 . . ?
C80 C79 H79 120.0 . . ?
C79 C80 H80 120.0 . . ?
C79 C80 C75 120.0 . . ?
C75 C80 H80 120.0 . . ?
C80 C75 C74 120.2(9) . . ?
C76 C75 C74 119.7(9) . . ?
C76 C75 C80 120.0 . . ?
C75 C76 H76 120.0 . . ?
C75 C76 C77 120.0 . . ?
C77 C76 H76 120.0 . . ?
C78 C77 H77 120.0 . . ?
C76 C77 C78 120.0 . . ?
C76 C77 H77 120.0 . . ?
C73 O13 H13 109.5 . . ?
O13 C73 H73A 109.5 . . ?
O13 C73 H73B 109.5 . . ?
O13 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 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 C2 C1 -0.4(3) . . . . ?
Ag1 S3 C7 C24 16.3(3) 2_566 . . . ?
Ag1 N3 C26 C17 -178.6(2) . . . . ?
Ag1 N3 C36 C15 179.5(3) . . . . ?
Ag1B S1 C2 C1 -14.7(3) . . . . ?
Ag1B S3 C7 C24 1.7(3) 2_566 . . . ?
Ag1B N3 C26 C17 179.5(2) . . . . ?
Ag1B N3 C36 C15 -178.7(3) . . . . ?
Ag2 S1 C2 C1 -103.5(2) . . . . ?
Ag2 S2 C6 C21 142.8(2) . . . . ?
Ag2 O6 C9 O10 1.3(5) . . . . ?
Ag2 O6 C9 C27 -178.2(2) . . . . ?
Ag3 S2 C6 C21 -139.2(2) . . . . ?
Ag3 S3 C7 C24 108.4(2) . . . . ?
Ag3 O2 C4 O3 2.8(4) . . . . ?
Ag3 O2 C4 C22 -179.0(2) . . . . ?
Ag4 S1 C2 C1 178.45(19) . . . . ?
Ag4 S3 C7 C24 -174.2(2) . . . . ?
Ag4 O1 C5 O8 -15.3(5) . . . . ?
Ag4 O1 C5 C14 161.2(2) . . . . ?
Ag5 S2 C6 C21 62.3(3) 2_566 . . . ?
Ag5 S3 C7 C24 -91.0(2) . . . . ?
Ag5 O10 C9 O6 39.0(5) 2_566 . . . ?
Ag5 O10 C9 C27 -141.5(3) 2_566 . . . ?
Ag5 N5 C34 C40 173.6(3) . . . . ?
Ag5 N5 C35 C39 -174.5(4) . . . . ?
Ag6 S1 C2 C1 99.0(2) . . . . ?
Ag6 S2 C6 C21 -57.3(3) 2_566 . . . ?
Ag6 O3 C4 O2 -44.6(5) 2_566 . . . ?
Ag6 O3 C4 C22 137.2(2) 2_566 . . . ?
Ag6 N1 C10 C12 177.3(2) . . . . ?
Ag6 N1 C20 C33 -176.5(3) . . . . ?
S2 C6 C21 C29 -89.8(3) . . . . ?
S2 C6 C21 C41 87.6(3) . . . . ?
S3 C7 C24 C16 90.5(3) . . . . ?
S3 C7 C24 C18 -89.7(3) . . . . ?
O1 C5 C14 F3 168.2(3) . . . . ?
O1 C5 C14 F4 45.7(4) . . . . ?
O1 C5 C14 F7 -72.5(4) . . . . ?
O2 C4 C22 F1 136.8(3) . . . . ?
O2 C4 C22 F2 -106.0(3) . . . . ?
O2 C4 C22 F5 13.6(4) . . . . ?
O3 C4 C22 F1 -44.7(4) . . . . ?
O3 C4 C22 F2 72.5(4) . . . . ?
O3 C4 C22 F5 -167.9(3) . . . . ?
O6 C9 C27 F6 -113.1(4) . . . . ?
O6 C9 C27 F8 127.1(4) . . . . ?
O6 C9 C27 F9 6.6(5) . . . . ?
O8 C5 C14 F3 -14.7(5) . . . . ?
O8 C5 C14 F4 -137.1(3) . . . . ?
O8 C5 C14 F7 104.6(4) . . . . ?
O10 C9 C27 F6 67.3(5) . . . . ?
O10 C9 C27 F8 -52.5(5) . . . . ?
O10 C9 C27 F9 -173.0(4) . . . . ?
N1 C10 C12 C25 -0.9(5) . . . . ?
N1 C20 C33 C25 -0.7(6) . . . . ?
N5 C34 C40 C38 0.5(7) . . . . ?
N5 C35 C39 C38 1.1(7) . . . . ?
C1 C3 C23 C11 0.5(5) . . . . ?
C1 C8 C19 C11 0.5(5) . . . . ?
C2 C1 C3 C23 -179.6(3) . . . . ?
C2 C1 C8 C19 179.1(3) . . . . ?
C3 C1 C2 S1 93.8(3) . . . . ?
C3 C1 C8 C19 -0.4(5) . . . . ?
C6 C21 C29 C50 176.0(3) . . . . ?
C6 C21 C41 C64 -175.3(3) . . . . ?
C8 C1 C2 S1 -85.7(3) . . . . ?
C8 C1 C3 C23 0.0(4) . . . . ?
C10 N1 C20 C33 0.3(5) . . . . ?
C10 C12 C25 C28 176.3(3) . . . . ?
C10 C12 C25 C33 0.4(5) . . . . ?
C12 C25 C28 C49 51.8(5) . . . . ?
C12 C25 C28 C51 -126.7(4) . . . . ?
C12 C25 C33 C20 0.3(5) . . . . ?
C13 C15 C36 N3 -0.1(6) . . . . ?
C13 C17 C26 N3 -1.3(5) . . . . ?
C13 C30 C31 C55 -174.9(3) . . . . ?
C13 C30 C32 C42 -8.9(6) . . . . ?
C13 C30 C32 C54 176.4(4) . . . . ?
C15 C13 C17 C26 1.3(5) . . . . ?
C15 C13 C30 C31 122.3(4) . . . . ?
C15 C13 C30 C32 -56.3(5) . . . . ?
C17 C13 C15 C36 -0.7(5) . . . . ?
C17 C13 C30 C31 -54.2(5) . . . . ?
C17 C13 C30 C32 127.3(4) . . . . ?
C19 C11 C23 C3 -0.5(5) . . . . ?
C20 N1 C10 C12 0.5(5) . . . . ?
C21 C29 C50 C65 -0.2(6) . . . . ?
C21 C41 C64 C65 -1.2(6) . . . . ?
C23 C11 C19 C8 0.0(5) . . . . ?
C24 C16 C43 C37 -0.2(6) . . . . ?
C24 C18 C52 C37 -1.0(6) . . . . ?
C25 C28 C49 C44 -178.9(4) . . . . ?
C25 C28 C49 C48 3.5(6) . . . . ?
C25 C28 C51 C72 177.9(4) . . . . ?
C26 N3 C36 C15 0.2(5) . . . . ?
C28 C25 C33 C20 -175.6(4) . . . . ?
C28 C51 C72 C53 0.6(8) . . . . ?
C29 C21 C41 C64 2.2(5) . . . . ?
C29 C50 C65 C64 1.2(7) . . . . ?
C30 C13 C15 C36 -177.2(3) . . . . ?
C30 C13 C17 C26 177.9(3) . . . . ?
C30 C31 C55 C56 -0.8(6) . . . . ?
C30 C32 C42 C63 -174.7(5) . . . . ?
C30 C32 C54 C56 -2.0(6) . . . . ?
C30 C32 C54 C62 176.1(4) . . . . ?
C31 C30 C32 C42 172.5(4) . . . . ?
C31 C30 C32 C54 -2.2(6) . . . . ?
C31 C55 C56 C54 -3.7(7) . . . . ?
C32 C30 C31 C55 3.7(6) . . . . ?
C32 C42 C63 C66 -0.4(9) . . . . ?
C32 C54 C56 C55 5.0(7) . . . . ?
C32 C54 C62 C66 -2.1(9) . . . . ?
C33 C25 C28 C49 -132.5(4) . . . . ?
C33 C25 C28 C51 49.1(5) . . . . ?
C34 N5 C35 C39 0.6(6) . . . . ?
C35 N5 C34 C40 -1.4(6) . . . . ?
C36 N3 C26 C17 0.5(5) . . . . ?
C39 C38 C40 C34 1.1(7) . . . . ?
C39 C38 C60 C58 -54.9(6) . . . . ?
C39 C38 C60 C59 127.6(5) . . . . ?
C40 C38 C39 C35 -1.9(7) . . . . ?
C40 C38 C60 C58 122.4(5) . . . . ?
C40 C38 C60 C59 -55.1(6) . . . . ?
C41 C21 C29 C50 -1.5(5) . . . . ?
C41 C64 C65 C50 -0.5(7) . . . . ?
C42 C32 C54 C56 -177.1(4) . . . . ?
C42 C32 C54 C62 1.1(7) . . . . ?
C42 C63 C66 C62 -0.6(10) . . . . ?
C43 C16 C24 C7 179.6(3) . . . . ?
C43 C16 C24 C18 -0.2(5) . . . . ?
C43 C37 C52 C18 0.6(7) . . . . ?
C44 C45 C46 C47 -0.1(7) . . . . ?
C44 C53 C72 C51 0.6(8) . . . . ?
C45 C44 C49 C28 -177.6(4) . . . . ?
C45 C44 C49 C48 0.2(6) . . . . ?
C45 C44 C53 C72 177.4(5) . . . . ?
C45 C46 C47 C48 0.8(7) . . . . ?
C46 C47 C48 C49 -1.0(7) . . . . ?
C47 C48 C49 C28 178.1(4) . . . . ?
C47 C48 C49 C44 0.5(6) . . . . ?
C49 C28 C51 C72 -0.6(7) . . . . ?
C49 C44 C45 C46 -0.4(6) . . . . ?
C49 C44 C53 C72 -1.6(7) . . . . ?
C51 C28 C49 C44 -0.4(6) . . . . ?
C51 C28 C49 C48 -178.1(4) . . . . ?
C52 C18 C24 C7 -179.1(3) . . . . ?
C52 C18 C24 C16 0.7(5) . . . . ?
C52 C37 C43 C16 0.0(6) . . . . ?
C53 C44 C45 C46 -179.5(4) . . . . ?
C53 C44 C49 C28 1.5(6) . . . . ?
C53 C44 C49 C48 179.3(4) . . . . ?
C54 C32 C42 C63 0.1(7) . . . . ?
C54 C62 C66 C63 1.8(10) . . . . ?
C56 C54 C62 C66 176.0(6) . . . . ?
C57 C59 C60 C38 176.4(3) . . . . ?
C57 C59 C60 C58 -1.1(6) . . . . ?
C57 C59 C61 C70 -0.1(5) . . . . ?
C57 C67 C69 C58 -1.8(6) . . . . ?
C57 C68 C71 C70 -0.2(7) . . . . ?
C59 C57 C67 C69 0.3(6) . . . . ?
C59 C57 C68 C71 -1.0(6) . . . . ?
C59 C61 C70 C71 -1.0(6) . . . . ?
C60 C38 C39 C35 175.5(4) . . . . ?
C60 C38 C40 C34 -176.2(4) . . . . ?
C60 C58 C69 C67 2.0(7) . . . . ?
C60 C59 C61 C70 -178.7(4) . . . . ?
C61 C59 C60 C38 -5.0(6) . . . . ?
C61 C59 C60 C58 177.5(4) . . . . ?
C61 C70 C71 C68 1.2(7) . . . . ?
C62 C54 C56 C55 -173.0(5) . . . . ?
C67 C57 C59 C60 1.2(5) . . . . ?
C67 C57 C59 C61 -177.5(3) . . . . ?
C67 C57 C68 C71 177.5(4) . . . . ?
C68 C57 C59 C60 179.8(4) . . . . ?
C68 C57 C59 C61 1.1(5) . . . . ?
C68 C57 C67 C69 -178.3(4) . . . . ?
C69 C58 C60 C38 -178.0(4) . . . . ?
C69 C58 C60 C59 -0.5(7) . . . . ?
C74 C75 C76 C77 177.1(12) . . . . ?
C78 C79 C80 C75 0.0 . . . . ?
C79 C78 C77 C76 0.0 . . . . ?
C79 C80 C75 C74 -177.1(12) . . . . ?
C79 C80 C75 C76 0.0 . . . . ?
C80 C75 C76 C77 0.0 . . . . ?
C75 C76 C77 C78 0.0 . . . . ?
C77 C78 C79 C80 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.684
_oxdiff_exptl_absorpt_empirical_full_min 0.763
# start Validation Reply Form
_vrf_PLAT910_nc_3                
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note  
RESPONSE: The missing reflections at low resolution might be shielded
by the beamstop.
;
