# Electronic Supplementary Material (ESI) for Nanoscale.
# 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_ag30
_database_code_depnum_ccdc_archive 'CCDC 1868081'
_audit_update_record             
;
2018-09-17 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_audit_creation_date             2018-09-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C154 H154 Ag30 F24 N4 O28 S20'
_chemical_formula_sum            'C154 H154 Ag30 F24 N4 O28 S20'
_chemical_formula_weight         6842.10
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     'C H Ag F N O S'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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                   19.8067(2)
_cell_length_b                   21.3657(2)
_cell_length_c                   24.6098(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.9090(10)
_cell_angle_gamma                90
_cell_volume                     10376.27(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    19502
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      73.9350
_cell_measurement_theta_min      3.6380
_shelx_estimated_absorpt_T_max   0.130
_shelx_estimated_absorpt_T_min   0.095
_exptl_absorpt_coefficient_mu    24.681
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.29148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.190
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6552
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            48870
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.292
_diffrn_reflns_theta_min         2.743
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -89.00 -40.00   0.50    0.50    --    0.00 -38.00-180.00   98
  2  ω    -38.00  19.00   0.50    0.50    --    0.00 -38.00-180.00  114
  3  ω      6.00 115.00   0.50    0.80    --   95.20 -15.00-150.00  218
  4  ω      7.00 126.00   0.50    0.80    --   95.20 -82.00 -90.00  238
  5  ω     20.00 117.00   0.50    0.80    --   95.20 -61.00 -90.00  194
  6  ω    106.00 185.00   0.50    0.80    --   95.20  30.00-180.00  158
  7  ω     68.00 167.00   0.50    0.80    --   95.20  15.00 120.00  198
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0357828000
_diffrn_orient_matrix_UB_12      -0.0060425000
_diffrn_orient_matrix_UB_13      -0.0578473000
_diffrn_orient_matrix_UB_21      -0.0629188000
_diffrn_orient_matrix_UB_22      -0.0274414000
_diffrn_orient_matrix_UB_23      0.0240398000
_diffrn_orient_matrix_UB_31      -0.0292804000
_diffrn_orient_matrix_UB_32      0.0664030000
_diffrn_orient_matrix_UB_33      0.0046972000
_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                15166
_reflns_number_total             20293
_reflns_odcompleteness_completeness 99.10
_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 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (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    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.895
_refine_diff_density_min         -2.606
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1228
_refine_ls_number_reflns         20293
_refine_ls_number_restraints     1716
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0584
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0734P)²+31.3488P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1537
_refine_ls_wR_factor_ref         0.1616
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H13_$1-H33
 2.45 with sigma of 0.005
 F7A-C67 \\sim F8B-C67 \\sim F8A-C67 \\sim F9B-C67 \\sim F9A-C67 \\sim F7B-C67
 with sigma of 0.01
 F4A-C71 \\sim F4B-C71 \\sim F5A-C71 \\sim F5B-C71 \\sim F6A-C71
 with sigma of 0.01
 N1-C76 \\sim N1-C77 \\sim N2-C73 \\sim N2-C74
 with sigma of 0.01
 F2A-C65 \\sim F3B-C65 \\sim F3A-C65 \\sim F1B-C65 \\sim F1A-C65 \\sim F2B-C65
 with sigma of 0.01
 C14-C9 \\sim C10-C9 \\sim C11-C10 \\sim C11-C12 \\sim C13-C12 \\sim C13-C14
\\sim C44-C45 \\sim C46-C45 ~
 C47-C46 \\sim C47-C48 \\sim C48-C49 \\sim C49-C44 \\sim C28-C27 \\sim C26-C27
\\sim C26-C25 \\sim C25-C24
 \\sim C24-C23 \\sim C28-C23 \\sim C4-C5 \\sim C5-C6 \\sim C6-C7 \\sim C7-C2
\\sim C3-C2 \\sim C4-C3 \\sim C20-C21
 \\sim C21-C16 \\sim C18-C17 \\sim C17-C16 \\sim C18-C19 \\sim C19-C20 \\sim
C31-C30 \\sim C35-C30 \\sim C34-
 C35 \\sim C33-C34 \\sim C33-C32 \\sim C32-C31 \\sim C63-C58 \\sim C62-C63
\\sim C61-C62 \\sim C61-C60 ~
 C60-C59 \\sim C59-C58 \\sim C42-C37 \\sim C41-C42 \\sim C41-C40 \\sim C39-C40
\\sim C39-C38 \\sim C38-C37
 \\sim C56-C55 \\sim C54-C55 \\sim C53-C54 \\sim C53-C52 \\sim C52-C51 \\sim
C56-C51
 with sigma of 0.01
3. Rigid bond restraints
 S6, O5, O6, O7, O8
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
F7B \\sim F9A: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
S6 \\sim O5 \\sim O6 \\sim O7 \\sim O8: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(F6B) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F2A) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(O8) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C26)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(F3B) \\sim Ueq,
Uanis(F2B) \\sim Ueq, Uanis(F1A) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C40)
\\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(F7A) \\sim Ueq, Uanis(F8B) \\sim Ueq,
Uanis(F8A) \\sim Ueq, Uanis(F9B) \\sim Ueq, Uanis(F7B) \\sim Ueq, Uanis(F9A)
\\sim Ueq, Uanis(C46) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C48) \\sim Ueq,
Uanis(C49) \\sim Ueq, Uanis(F6B) \\sim Ueq, Uanis(F6A) \\sim Ueq, Uanis(F5B)
\\sim Ueq, Uanis(F5A) \\sim Ueq, Uanis(F4B) \\sim Ueq, Uanis(F4A) \\sim Ueq,
Uanis(C27) \\sim Ueq, Uanis(F1B) \\sim Ueq, Uanis(C42) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(F3A) = Uanis(F3B)
Uanis(O6) = Uanis(O7)
Uanis(C16) = Uanis(C19) = Uanis(C18) = Uanis(C20)
5. Others
 Sof(F4B)=Sof(F5B)=Sof(F6B)=1-FVAR(1)
 Sof(F4A)=Sof(F5A)=Sof(F6A)=FVAR(1)
 Sof(F1B)=Sof(F2B)=Sof(F3B)=1-FVAR(2)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=FVAR(2)
 Fixed Sof: F7A(0.4) F7B(0.6) F8A(0.4) F8B(0.6) F9A(0.6) F9B(0.4)
6.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C8(H8A,H8B), C15(H15A,H15B), C22(H22A,H22B), C29(H29A,H29B),
 C36(H36A,H36B), C43(H43A,H43B), C50(H50A,H50B), C57(H57A,H57B)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24),
  C25(H25), C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33),
 C34(H34), C35(H35), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42), C45(H45),
  C46(H46), C47(H47), C48(H48), C49(H49), C52(H52), C53(H53), C54(H54),
 C55(H55), C56(H56), C59(H59), C60(H60), C61(H61), C62(H62), C63(H63), C72(H72),
  C75(H75)
6.c Idealised Me refined as rotating group:
 C73(H73A,H73B,H73C), C74(H74A,H74B,H74C), C76(H76A,H76B,H76C), C77(H77A,H77B,
 H77C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47629(4) 0.51147(4) 0.31897(3) 0.05071(18) Uani 1 1 d . . . . .
Ag2 Ag 0.54321(4) 0.69099(3) 0.42892(3) 0.04729(17) Uani 1 1 d . . . . .
Ag3 Ag 0.68403(3) 0.62502(3) 0.43491(3) 0.04412(16) Uani 1 1 d . . . . .
Ag4 Ag 0.55451(4) 0.55020(3) 0.41892(3) 0.05048(18) Uani 1 1 d . . . . .
Ag5 Ag 0.63371(4) 0.47669(3) 0.33361(3) 0.04951(17) Uani 1 1 d . . . . .
Ag6 Ag 0.75091(4) 0.45309(3) 0.46256(3) 0.05306(19) Uani 1 1 d . . . . .
Ag7 Ag 0.63275(4) 0.37231(3) 0.42177(3) 0.05176(18) Uani 1 1 d . . . . .
Ag8 Ag 0.45987(6) 0.39759(5) 0.42899(4) 0.0796(3) Uani 1 1 d . . . . .
Ag9 Ag 0.30532(4) 0.43354(3) 0.45867(3) 0.04821(17) Uani 1 1 d . . . . .
Ag10 Ag 0.60333(4) 0.30354(4) 0.57576(3) 0.0566(2) Uani 1 1 d . . . . .
Ag11 Ag 0.64644(4) 0.25039(3) 0.47776(3) 0.04688(17) Uani 1 1 d . . . . .
Ag12 Ag 0.75991(4) 0.28763(3) 0.56359(3) 0.04927(18) Uani 1 1 d . . . . .
Ag13 Ag 0.65300(4) 0.44226(3) 0.65652(4) 0.0570(2) Uani 1 1 d . . . . .
Ag14 Ag 0.75228(3) 0.54302(3) 0.65282(3) 0.04681(17) Uani 1 1 d . . . . .
Ag15 Ag 0.79666(4) 0.40804(3) 0.63487(3) 0.05102(18) Uani 1 1 d . . . . .
S1 S 0.51081(11) 0.62171(10) 0.34686(9) 0.0411(5) Uani 1 1 d . . . . .
S2 S 0.72113(11) 0.53198(10) 0.38986(9) 0.0392(5) Uani 1 1 d . . . . .
S3 S 0.53844(11) 0.40464(10) 0.35893(8) 0.0387(4) Uani 1 1 d . . . . .
S4 S 0.21444(11) 0.50672(10) 0.43827(9) 0.0414(5) Uani 1 1 d . . . . .
S5 S 0.37960(10) 0.34568(9) 0.48337(8) 0.0360(4) Uani 1 1 d . . . . .
S6 S 0.5844(2) 0.45759(18) 0.52062(16) 0.0857(10) Uani 1 1 d . U . . .
S7 S 0.73921(11) 0.33397(10) 0.46837(9) 0.0410(5) Uani 1 1 d . . . . .
S8 S 0.53143(11) 0.24095(10) 0.51257(9) 0.0391(5) Uani 1 1 d . . . . .
S9 S 0.69652(12) 0.33882(10) 0.63867(9) 0.0415(5) Uani 1 1 d . . . . .
S10 S 0.63984(11) 0.54697(10) 0.69278(10) 0.0430(5) Uani 1 1 d . . . . .
F1A F 0.5807(12) 0.5168(7) 0.1257(5) 0.130(6) Uani 0.754(15) 1 d D U P A 1
F1B F 0.526(2) 0.5082(17) 0.1225(12) 0.087(11) Uani 0.246(15) 1 d D U P A 2
F2A F 0.6011(7) 0.4207(7) 0.1389(5) 0.105(4) Uani 0.754(15) 1 d D U P A 1
F2B F 0.6247(8) 0.472(2) 0.1376(12) 0.078(10) Uani 0.246(15) 1 d D U P A 2
F3A F 0.5034(6) 0.4504(8) 0.1270(5) 0.108(4) Uani 0.754(15) 1 d D . P A 1
F3B F 0.537(2) 0.4143(12) 0.1321(16) 0.108(4) Uani 0.246(15) 1 d D U P A 2
F4A F 0.796(2) 0.064(2) 0.4797(8) 0.139(14) Uani 0.43(3) 1 d D U P B 1
F4B F 0.8269(14) 0.0779(14) 0.4873(9) 0.127(9) Uani 0.57(3) 1 d D U P B 2
F5A F 0.8591(6) 0.0800(13) 0.5359(18) 0.119(11) Uani 0.43(3) 1 d D U P B 1
F5B F 0.8359(12) 0.0696(8) 0.5733(9) 0.106(8) Uani 0.57(3) 1 d D U P B 2
F6A F 0.7532(13) 0.0404(9) 0.5530(13) 0.093(9) Uani 0.43(3) 1 d D U P B 1
F6B F 0.7469(11) 0.0401(9) 0.5185(13) 0.109(7) Uani 0.57(3) 1 d . U P B 2
F7A F 0.6854(16) 0.8752(13) 0.3856(12) 0.093(9) Uani 0.4 1 d D U P C 1
F7B F 0.6912(11) 0.8655(9) 0.3639(8) 0.093(6) Uani 0.6 1 d D U P C 2
F8A F 0.7641(17) 0.846(2) 0.4436(11) 0.107(13) Uani 0.4 1 d D U P C 1
F8B F 0.7388(12) 0.8581(12) 0.4457(7) 0.100(7) Uani 0.6 1 d D U P C 2
F9A F 0.7746(8) 0.8211(11) 0.3636(7) 0.083(5) Uani 0.6 1 d D U P C 1
F9B F 0.7908(8) 0.8215(18) 0.3853(11) 0.084(9) Uani 0.4 1 d D U P C 2
F10 F 0.9910(4) 0.5631(4) 0.7189(4) 0.097(2) Uani 1 1 d . U . . .
F11 F 0.9763(4) 0.4963(4) 0.7803(3) 0.098(3) Uani 1 1 d . . . . .
F12 F 1.0186(3) 0.4686(3) 0.7079(3) 0.076(2) Uani 1 1 d . . . . .
O1 O 0.7298(4) 0.7233(3) 0.4234(3) 0.064(2) Uani 1 1 d . . . . .
O2 O 0.6275(4) 0.7661(4) 0.3996(3) 0.064(2) Uani 1 1 d . . . . .
O3 O 0.5063(4) 0.4947(4) 0.2281(3) 0.0597(19) Uani 1 1 d . . . . .
O4 O 0.6151(4) 0.4674(4) 0.2401(3) 0.0589(18) Uani 1 1 d . . . . .
O5 O 0.6119(3) 0.4844(4) 0.4754(3) 0.0590(17) Uani 1 1 d . U . . .
O6 O 0.5909(7) 0.4929(5) 0.5663(5) 0.1088(19) Uani 1 1 d . U . . .
O7 O 0.6363(6) 0.4022(5) 0.5316(4) 0.1088(19) Uani 1 1 d . U . . .
O8 O 0.5335(6) 0.4189(5) 0.5128(4) 0.112(3) Uani 1 1 d . U . . .
O9 O 0.6517(4) 0.1952(3) 0.3927(3) 0.0591(18) Uani 1 1 d . . . . .
O10 O 0.7048(4) 0.1550(3) 0.5132(3) 0.0605(19) Uani 1 1 d . . . . .
O11 O 0.8027(4) 0.1881(3) 0.5561(4) 0.071(2) Uani 1 1 d . . . . .
O12 O 0.8734(4) 0.3076(4) 0.6166(4) 0.075(2) Uani 1 1 d . . . . .
O13 O 0.8888(4) 0.4367(3) 0.6904(3) 0.0589(19) Uani 1 1 d . . . . .
O14 O 0.8618(4) 0.5381(3) 0.6975(3) 0.065(2) Uani 1 1 d . . . . .
N1 N 0.6357(5) 0.1021(4) 0.3500(3) 0.065(3) Uani 1 1 d D . . . .
N2 N 0.9821(5) 0.2737(4) 0.6335(4) 0.062(2) Uani 1 1 d D . . . .
C1 C 0.7003(7) 0.2904(5) 0.7015(4) 0.066(3) Uani 1 1 d . . . . .
H1A H 0.746881 0.286957 0.716969 0.079 Uiso 1 1 calc R . . . .
H1B H 0.674104 0.310177 0.728317 0.079 Uiso 1 1 calc R . . . .
C2 C 0.6720(5) 0.2259(4) 0.6877(4) 0.056(3) Uani 1 1 d D . . . .
C3 C 0.6054(5) 0.2139(5) 0.6963(4) 0.063(3) Uani 1 1 d D . . . .
H3 H 0.578633 0.245607 0.708899 0.075 Uiso 1 1 calc R . . . .
C4 C 0.5782(7) 0.1553(5) 0.6865(5) 0.077(4) Uani 1 1 d D . . . .
H4 H 0.534034 0.146354 0.693997 0.092 Uiso 1 1 calc R . . . .
C5 C 0.6182(7) 0.1105(5) 0.6653(5) 0.088(5) Uani 1 1 d D . . . .
H5 H 0.599877 0.071092 0.657254 0.106 Uiso 1 1 calc R . . . .
C6 C 0.6843(7) 0.1220(5) 0.6555(5) 0.082(4) Uani 1 1 d D . . . .
H6 H 0.710246 0.090813 0.641227 0.098 Uiso 1 1 calc R . . . .
C7 C 0.7119(6) 0.1803(4) 0.6672(4) 0.066(3) Uani 1 1 d D . . . .
H7 H 0.756699 0.188640 0.661175 0.079 Uiso 1 1 calc R . . . .
C8 C 0.6582(6) 0.5443(5) 0.7677(5) 0.060(3) Uani 1 1 d . . . . .
H8A H 0.690299 0.577305 0.778418 0.072 Uiso 1 1 calc R . . . .
H8B H 0.616723 0.553195 0.784508 0.072 Uiso 1 1 calc R . . . .
C9 C 0.6862(5) 0.4836(5) 0.7895(4) 0.056(3) Uani 1 1 d D . . . .
C10 C 0.6454(7) 0.4404(6) 0.8118(6) 0.094(5) Uani 1 1 d D . . . .
H10 H 0.599525 0.448487 0.813702 0.113 Uiso 1 1 calc R . . . .
C11 C 0.6734(8) 0.3849(6) 0.8312(7) 0.114(6) Uani 1 1 d D . . . .
H11 H 0.644829 0.355540 0.845230 0.137 Uiso 1 1 calc R . . . .
C12 C 0.7407(8) 0.3702(7) 0.8310(6) 0.099(5) Uani 1 1 d D U . . .
H12 H 0.762524 0.333648 0.843205 0.119 Uiso 1 1 calc R . . . .
C13 C 0.7682(7) 0.4215(7) 0.8090(9) 0.145(8) Uani 1 1 d D U . . .
H13 H 0.814954 0.416065 0.811845 0.174 Uiso 1 1 calc DR . . . .
C14 C 0.7547(6) 0.4774(7) 0.7844(7) 0.098(5) Uani 1 1 d D . . . .
H14 H 0.783955 0.504475 0.768357 0.118 Uiso 1 1 calc R . . . .
C15 C 0.5337(6) 0.1607(5) 0.5418(5) 0.061(3) Uani 1 1 d . . . . .
H15A H 0.579901 0.145342 0.545781 0.073 Uiso 1 1 calc R . . . .
H15B H 0.516489 0.161262 0.577594 0.073 Uiso 1 1 calc R . . . .
C16 C 0.4898(6) 0.1180(6) 0.5036(6) 0.094(2) Uani 1 1 d D . . . .
C17 C 0.5188(7) 0.0778(5) 0.4684(5) 0.082(4) Uani 1 1 d D . . . .
H17 H 0.565683 0.076272 0.468460 0.098 Uiso 1 1 calc R . . . .
C18 C 0.4792(7) 0.0398(6) 0.4330(6) 0.094(2) Uani 1 1 d D . . . .
H18 H 0.499744 0.011961 0.410452 0.113 Uiso 1 1 calc R . . . .
C19 C 0.4096(7) 0.0430(6) 0.4312(6) 0.094(2) Uani 1 1 d D . . . .
H19 H 0.382952 0.019794 0.405585 0.113 Uiso 1 1 calc R . . . .
C20 C 0.3800(7) 0.0808(6) 0.4677(5) 0.094(2) Uani 1 1 d D . . . .
H20 H 0.333088 0.081346 0.468408 0.113 Uiso 1 1 calc R . . . .
C21 C 0.4199(5) 0.1179(6) 0.5033(6) 0.075(4) Uani 1 1 d D . . . .
H21 H 0.399420 0.143508 0.527676 0.090 Uiso 1 1 calc R . . . .
C22 C 0.3414(5) 0.2741(4) 0.4512(4) 0.046(2) Uani 1 1 d . . . . .
H22A H 0.375527 0.251442 0.433055 0.056 Uiso 1 1 calc R . . . .
H22B H 0.325436 0.247122 0.479038 0.056 Uiso 1 1 calc R . . . .
C23 C 0.2846(4) 0.2902(4) 0.4113(3) 0.039(2) Uani 1 1 d D . . . .
C24 C 0.2931(6) 0.3038(5) 0.3579(3) 0.064(3) Uani 1 1 d D U . . .
H24 H 0.335747 0.301144 0.344901 0.077 Uiso 1 1 calc R . . . .
C25 C 0.2374(6) 0.3214(6) 0.3235(5) 0.081(4) Uani 1 1 d D U . . .
H25 H 0.242066 0.330817 0.287115 0.097 Uiso 1 1 calc R . . . .
C26 C 0.1749(7) 0.3247(6) 0.3439(5) 0.088(4) Uani 1 1 d D U . . .
H26 H 0.138574 0.338751 0.320702 0.106 Uiso 1 1 calc R . . . .
C27 C 0.1626(6) 0.3086(7) 0.3964(5) 0.088(4) Uani 1 1 d D U . . .
H27 H 0.119568 0.308343 0.408861 0.106 Uiso 1 1 calc R . . . .
C28 C 0.2203(4) 0.2931(6) 0.4285(5) 0.069(3) Uani 1 1 d D . . . .
H28 H 0.215523 0.283708 0.464847 0.083 Uiso 1 1 calc R . . . .
C29 C 0.5169(7) 0.3549(5) 0.2998(4) 0.069(3) Uani 1 1 d . . . . .
H29A H 0.486057 0.378119 0.274541 0.083 Uiso 1 1 calc R . . . .
H29B H 0.557948 0.347807 0.281907 0.083 Uiso 1 1 calc R . . . .
C30 C 0.4854(4) 0.2924(4) 0.3089(3) 0.047(2) Uani 1 1 d D . . . .
C31 C 0.4429(6) 0.2660(6) 0.2680(5) 0.085(4) Uani 1 1 d D . . . .
H31 H 0.432733 0.287940 0.235715 0.102 Uiso 1 1 calc R . . . .
C32 C 0.4152(9) 0.2076(6) 0.2741(6) 0.109(6) Uani 1 1 d D . . . .
H32 H 0.383634 0.190436 0.248220 0.131 Uiso 1 1 calc R . . . .
C33 C 0.4374(7) 0.1763(7) 0.3211(6) 0.098(5) Uani 1 1 d D . . . .
H33 H 0.425410 0.134350 0.322941 0.117 Uiso 1 1 calc DR . . . .
C34 C 0.4751(6) 0.2001(5) 0.3652(5) 0.075(4) Uani 1 1 d D . . . .
H34 H 0.483614 0.178438 0.397899 0.090 Uiso 1 1 calc R . . . .
C35 C 0.4992(6) 0.2592(4) 0.3567(4) 0.062(3) Uani 1 1 d D . . . .
H35 H 0.526518 0.277938 0.384735 0.075 Uiso 1 1 calc R . . . .
C36 C 0.5769(6) 0.6388(5) 0.3006(4) 0.053(2) Uani 1 1 d . . . . .
H36A H 0.616151 0.656268 0.321506 0.064 Uiso 1 1 calc R . . . .
H36B H 0.590737 0.600016 0.284277 0.064 Uiso 1 1 calc R . . . .
C37 C 0.5536(5) 0.6830(4) 0.2569(4) 0.055(3) Uani 1 1 d D . . . .
C38 C 0.5659(6) 0.7460(4) 0.2621(5) 0.068(3) Uani 1 1 d D . . . .
H38 H 0.589191 0.760401 0.294042 0.082 Uiso 1 1 calc R . . . .
C39 C 0.5456(8) 0.7889(6) 0.2226(6) 0.096(5) Uani 1 1 d D U . . .
H39 H 0.553672 0.831443 0.227485 0.116 Uiso 1 1 calc R . . . .
C40 C 0.5129(9) 0.7659(8) 0.1755(7) 0.116(6) Uani 1 1 d D U . . .
H40 H 0.498884 0.793784 0.147779 0.140 Uiso 1 1 calc R . . . .
C41 C 0.5001(11) 0.7032(7) 0.1678(7) 0.135(7) Uani 1 1 d D U . . .
H41 H 0.479589 0.688569 0.134878 0.162 Uiso 1 1 calc R . . . .
C42 C 0.5183(8) 0.6624(7) 0.2098(4) 0.089(4) Uani 1 1 d D U . . .
H42 H 0.506571 0.620388 0.206276 0.106 Uiso 1 1 calc R . . . .
C43 C 0.1294(5) 0.4750(5) 0.4500(4) 0.049(2) Uani 1 1 d . . . . .
H43A H 0.101863 0.471277 0.415629 0.059 Uiso 1 1 calc R . . . .
H43B H 0.133946 0.433744 0.466450 0.059 Uiso 1 1 calc R . . . .
C44 C 0.0963(5) 0.5188(4) 0.4873(4) 0.050(2) Uani 1 1 d D . . . .
C45 C 0.0841(5) 0.4992(5) 0.5387(4) 0.062(3) Uani 1 1 d D . . . .
H45 H 0.097038 0.459307 0.550695 0.075 Uiso 1 1 calc R . . . .
C46 C 0.0523(6) 0.5392(6) 0.5724(5) 0.087(4) Uani 1 1 d D U . . .
H46 H 0.045397 0.527254 0.607783 0.105 Uiso 1 1 calc R . . . .
C47 C 0.0310(7) 0.5971(6) 0.5532(6) 0.088(4) Uani 1 1 d D U . . .
H47 H 0.007961 0.622936 0.575697 0.106 Uiso 1 1 calc R . . . .
C48 C 0.0425(7) 0.6180(7) 0.5021(6) 0.094(4) Uani 1 1 d D U . . .
H48 H 0.028361 0.657372 0.489780 0.113 Uiso 1 1 calc R . . . .
C49 C 0.0761(6) 0.5778(4) 0.4701(5) 0.071(3) Uani 1 1 d D U . . .
H49 H 0.085569 0.590928 0.435519 0.085 Uiso 1 1 calc R . . . .
C50 C 0.7907(5) 0.5569(5) 0.3486(4) 0.049(2) Uani 1 1 d . . . . .
H50A H 0.823882 0.580553 0.371382 0.058 Uiso 1 1 calc R . . . .
H50B H 0.813029 0.520093 0.335502 0.058 Uiso 1 1 calc R . . . .
C51 C 0.7650(5) 0.5957(4) 0.3015(4) 0.049(2) Uani 1 1 d D . . . .
C52 C 0.7667(6) 0.6599(4) 0.3050(4) 0.064(3) Uani 1 1 d D . . . .
H52 H 0.785585 0.678542 0.336892 0.077 Uiso 1 1 calc R . . . .
C53 C 0.7410(6) 0.6972(5) 0.2626(4) 0.076(4) Uani 1 1 d D . . . .
H53 H 0.742919 0.740545 0.266185 0.091 Uiso 1 1 calc R . . . .
C54 C 0.7127(6) 0.6710(5) 0.2151(5) 0.076(4) Uani 1 1 d D . . . .
H54 H 0.695583 0.695795 0.186071 0.091 Uiso 1 1 calc R . . . .
C55 C 0.7104(6) 0.6066(5) 0.2120(4) 0.068(3) Uani 1 1 d D . . . .
H55 H 0.691280 0.587944 0.180222 0.082 Uiso 1 1 calc R . . . .
C56 C 0.7356(5) 0.5691(5) 0.2546(3) 0.054(3) Uani 1 1 d D . . . .
H56 H 0.732723 0.525785 0.251451 0.065 Uiso 1 1 calc R . . . .
C57 C 0.7884(5) 0.2967(5) 0.4156(4) 0.052(2) Uani 1 1 d . . . . .
H57A H 0.836311 0.298464 0.427385 0.062 Uiso 1 1 calc R . . . .
H57B H 0.775508 0.253039 0.411696 0.062 Uiso 1 1 calc R . . . .
C58 C 0.7761(4) 0.3284(4) 0.3620(4) 0.052(2) Uani 1 1 d D . . . .
C59 C 0.8231(6) 0.3698(5) 0.3449(4) 0.067(3) Uani 1 1 d D . . . .
H59 H 0.862539 0.377879 0.367141 0.081 Uiso 1 1 calc R . . . .
C60 C 0.8125(7) 0.3995(6) 0.2953(4) 0.080(4) Uani 1 1 d D . . . .
H60 H 0.844500 0.427726 0.284584 0.097 Uiso 1 1 calc R . . . .
C61 C 0.7551(6) 0.3879(5) 0.2613(5) 0.078(4) Uani 1 1 d D . . . .
H61 H 0.748907 0.407024 0.227296 0.093 Uiso 1 1 calc R . . . .
C62 C 0.7071(6) 0.3478(5) 0.2784(4) 0.067(3) Uani 1 1 d D . . . .
H62 H 0.666727 0.341345 0.256886 0.080 Uiso 1 1 calc R . . . .
C63 C 0.7190(5) 0.3170(5) 0.3276(3) 0.055(3) Uani 1 1 d D . . . .
H63 H 0.687551 0.287883 0.337737 0.066 Uiso 1 1 calc R . . . .
C64 C 0.5614(5) 0.4771(4) 0.2135(4) 0.045(2) Uani 1 1 d . . . . .
C65 C 0.5623(5) 0.4671(4) 0.1520(5) 0.071(3) Uani 1 1 d D . . . .
C66 C 0.6904(7) 0.7659(5) 0.4074(4) 0.055(3) Uani 1 1 d . . . . .
C67 C 0.7274(5) 0.8281(6) 0.3985(4) 0.073(3) Uani 1 1 d D . . . .
C68 C 0.8993(5) 0.4919(4) 0.7023(4) 0.044(2) Uani 1 1 d . . . . .
C69 C 0.9719(5) 0.5056(5) 0.7269(5) 0.058(3) Uani 1 1 d . . . . .
C70 C 0.7633(6) 0.1492(5) 0.5330(5) 0.058(3) Uani 1 1 d . . . . .
C71 C 0.7923(6) 0.0820(6) 0.5309(5) 0.087(4) Uani 1 1 d D . . . .
C72 C 0.9204(7) 0.2654(7) 0.6144(6) 0.075(3) Uani 1 1 d . . . . .
H72 H 0.908710 0.227122 0.598176 0.090 Uiso 1 1 calc R . . . .
C73 C 1.0108(8) 0.3329(6) 0.6558(7) 0.104(5) Uani 1 1 d D . . . .
H73A H 1.038749 0.351336 0.630046 0.156 Uiso 1 1 calc GR . . . .
H73B H 1.037739 0.324720 0.689333 0.156 Uiso 1 1 calc GR . . . .
H73C H 0.974741 0.361067 0.662407 0.156 Uiso 1 1 calc GR . . . .
C74 C 1.0328(7) 0.2230(6) 0.6329(7) 0.098(5) Uani 1 1 d D . . . .
H74A H 1.042642 0.207092 0.669175 0.147 Uiso 1 1 calc GR . . . .
H74B H 1.073594 0.239005 0.619594 0.147 Uiso 1 1 calc GR . . . .
H74C H 1.015131 0.189834 0.609430 0.147 Uiso 1 1 calc GR . . . .
C75 C 0.6553(6) 0.1374(6) 0.3925(5) 0.061(3) Uani 1 1 d . . . . .
H75 H 0.672978 0.117534 0.424205 0.073 Uiso 1 1 calc R . . . .
C76 C 0.6071(6) 0.1305(6) 0.2984(4) 0.076(4) Uani 1 1 d D . . . .
H76A H 0.560695 0.117826 0.291250 0.114 Uiso 1 1 calc GR . . . .
H76B H 0.632594 0.116866 0.269126 0.114 Uiso 1 1 calc GR . . . .
H76C H 0.609405 0.175271 0.301307 0.114 Uiso 1 1 calc GR . . . .
C77 C 0.6434(8) 0.0337(5) 0.3527(7) 0.095(5) Uani 1 1 d D . . . .
H77A H 0.673613 0.020349 0.326516 0.143 Uiso 1 1 calc GR . . . .
H77B H 0.599984 0.014282 0.344773 0.143 Uiso 1 1 calc GR . . . .
H77C H 0.661630 0.021894 0.388649 0.143 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 Ag4 2.9127(10) . ?
Ag1 Ag5 3.1955(11) . ?
Ag1 Ag13 2.8571(11) 3_666 ?
Ag1 S1 2.531(2) . ?
Ag1 S3 2.736(2) . ?
Ag1 S10 2.611(2) 3_666 ?
Ag1 O3 2.389(7) . ?
Ag2 Ag3 3.1174(10) . ?
Ag2 Ag4 3.0280(10) . ?
Ag2 Ag10 2.8973(10) 3_666 ?
Ag2 S1 2.541(2) . ?
Ag2 S5 2.654(2) 3_666 ?
Ag2 S8 2.596(2) 3_666 ?
Ag2 O2 2.468(8) . ?
Ag3 Ag4 3.0197(10) . ?
Ag3 Ag9 2.8939(10) 3_666 ?
Ag3 S2 2.421(2) . ?
Ag3 S5 2.541(2) 3_666 ?
Ag3 O1 2.314(7) . ?
Ag4 Ag5 3.1462(11) . ?
Ag4 S1 2.443(2) . ?
Ag4 O5 2.221(8) . ?
Ag5 Ag7 3.1126(10) . ?
Ag5 S2 2.429(2) . ?
Ag5 S3 2.553(2) . ?
Ag5 O4 2.307(7) . ?
Ag6 Ag7 3.0102(11) . ?
Ag6 Ag9 3.3517(11) 3_666 ?
Ag6 S2 2.492(2) . ?
Ag6 S4 2.623(2) 3_666 ?
Ag6 S7 2.561(2) . ?
Ag7 Ag11 2.9486(10) . ?
Ag7 S3 2.421(2) . ?
Ag7 S7 2.453(2) . ?
Ag8 Ag9 3.2981(13) . ?
Ag8 S3 2.424(2) . ?
Ag8 S5 2.432(2) . ?
Ag8 O6 2.554(12) 3_666 ?
Ag8 O8 2.464(11) . ?
Ag9 Ag14 2.9229(10) 3_666 ?
Ag9 S4 2.404(2) . ?
Ag9 S5 2.430(2) . ?
Ag10 Ag11 2.8615(10) . ?
Ag10 Ag12 3.1594(11) . ?
Ag10 S8 2.420(2) . ?
Ag10 S9 2.425(2) . ?
Ag10 O7 2.485(11) . ?
Ag11 Ag12 3.0549(10) . ?
Ag11 S7 2.587(2) . ?
Ag11 S8 2.510(2) . ?
Ag11 O9 2.413(7) . ?
Ag11 O10 2.465(7) . ?
Ag12 Ag15 3.1634(10) . ?
Ag12 S7 2.545(2) . ?
Ag12 S9 2.566(2) . ?
Ag12 O11 2.301(7) . ?
Ag12 O12 2.536(8) . ?
Ag13 Ag14 2.9223(10) . ?
Ag13 Ag15 3.0290(11) . ?
Ag13 S9 2.426(2) . ?
Ag13 S10 2.431(2) . ?
Ag14 Ag15 3.0582(10) . ?
Ag14 S4 2.616(2) 3_666 ?
Ag14 S10 2.512(2) . ?
Ag14 O14 2.348(7) . ?
Ag15 S4 2.557(2) 3_666 ?
Ag15 S9 2.482(2) . ?
Ag15 O13 2.270(7) . ?
S1 C36 1.844(10) . ?
S2 C50 1.858(9) . ?
S3 C29 1.823(11) . ?
S4 C43 1.862(9) . ?
S5 C22 1.854(9) . ?
S6 O5 1.403(7) . ?
S6 O6 1.351(11) . ?
S6 O7 1.575(12) . ?
S6 O8 1.305(9) . ?
S7 C57 1.867(10) . ?
S8 C15 1.859(10) . ?
S9 C1 1.856(11) . ?
S10 C8 1.849(11) . ?
F1A C65 1.312(9) . ?
F1B C65 1.314(10) . ?
F2A C65 1.311(9) . ?
F2B C65 1.320(10) . ?
F3A C65 1.319(9) . ?
F3B C65 1.311(10) . ?
F4A C71 1.326(11) . ?
F4B C71 1.325(11) . ?
F5A C71 1.319(11) . ?
F5B C71 1.323(11) . ?
F6A C71 1.325(11) . ?
F6B C71 1.29(2) . ?
F7A C67 1.329(10) . ?
F7B C67 1.333(9) . ?
F8A C67 1.332(10) . ?
F8B C67 1.330(9) . ?
F9A C67 1.331(9) . ?
F9B C67 1.330(10) . ?
F10 C69 1.305(13) . ?
F11 C69 1.324(14) . ?
F12 C69 1.332(12) . ?
O1 C66 1.240(13) . ?
O2 C66 1.245(14) . ?
O3 C64 1.237(12) . ?
O4 C64 1.217(12) . ?
O9 C75 1.238(13) . ?
O10 C70 1.225(13) . ?
O11 C70 1.243(12) . ?
O12 C72 1.303(14) . ?
O13 C68 1.227(11) . ?
O14 C68 1.235(11) . ?
N1 C75 1.320(13) . ?
N1 C76 1.475(9) . ?
N1 C77 1.470(9) . ?
N2 C72 1.284(15) . ?
N2 C73 1.473(9) . ?
N2 C74 1.478(9) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.516(14) . ?
C2 C3 1.378(7) . ?
C2 C7 1.377(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.375(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.374(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.379(7) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.492(15) . ?
C9 C10 1.372(7) . ?
C9 C14 1.379(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.378(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.371(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.357(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.356(7) . ?
C14 H14 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.527(16) . ?
C16 C17 1.378(7) . ?
C16 C21 1.384(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.384(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.377(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.378(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.380(7) . ?
C21 H21 0.9300 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.469(13) . ?
C23 C24 1.370(7) . ?
C23 C28 1.378(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.384(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.376(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.379(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.372(7) . ?
C28 H28 0.9300 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.497(13) . ?
C30 C31 1.376(7) . ?
C30 C35 1.382(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.376(7) . ?
C32 H32 0.9300 . ?
C32 C33 1.374(7) . ?
C33 H33 0.9300 . ?
C33 C34 1.363(7) . ?
C34 H34 0.9300 . ?
C34 C35 1.373(7) . ?
C35 H35 0.9300 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C37 1.475(13) . ?
C37 C38 1.373(7) . ?
C37 C42 1.373(7) . ?
C38 H38 0.9300 . ?
C38 C39 1.370(7) . ?
C39 H39 0.9300 . ?
C39 C40 1.367(7) . ?
C40 H40 0.9300 . ?
C40 C41 1.375(7) . ?
C41 H41 0.9300 . ?
C41 C42 1.376(7) . ?
C42 H42 0.9300 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 C44 1.500(13) . ?
C44 C45 1.375(7) . ?
C44 C49 1.378(7) . ?
C45 H45 0.9300 . ?
C45 C46 1.380(7) . ?
C46 H46 0.9300 . ?
C46 C47 1.376(7) . ?
C47 H47 0.9300 . ?
C47 C48 1.371(7) . ?
C48 H48 0.9300 . ?
C48 C49 1.375(7) . ?
C49 H49 0.9300 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.480(13) . ?
C51 C52 1.374(7) . ?
C51 C56 1.371(7) . ?
C52 H52 0.9300 . ?
C52 C53 1.376(7) . ?
C53 H53 0.9300 . ?
C53 C54 1.372(7) . ?
C54 H54 0.9300 . ?
C54 C55 1.378(7) . ?
C55 H55 0.9300 . ?
C55 C56 1.378(7) . ?
C56 H56 0.9300 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 C58 1.482(13) . ?
C58 C59 1.377(7) . ?
C58 C63 1.377(7) . ?
C59 H59 0.9300 . ?
C59 C60 1.376(7) . ?
C60 H60 0.9300 . ?
C60 C61 1.374(7) . ?
C61 H61 0.9300 . ?
C61 C62 1.373(7) . ?
C62 H62 0.9300 . ?
C62 C63 1.380(7) . ?
C63 H63 0.9300 . ?
C64 C65 1.531(15) . ?
C66 C67 1.542(15) . ?
C68 C69 1.541(14) . ?
C70 C71 1.550(16) . ?
C72 H72 0.9300 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75 0.9300 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 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
Ag4 Ag1 Ag5 61.80(3) . . ?
Ag13 Ag1 Ag4 98.34(3) 3_666 . ?
Ag13 Ag1 Ag5 160.08(3) 3_666 . ?
S1 Ag1 Ag4 52.75(5) . . ?
S1 Ag1 Ag5 86.99(6) . . ?
S1 Ag1 Ag13 81.20(6) . 3_666 ?
S1 Ag1 S3 125.18(7) . . ?
S1 Ag1 S10 133.62(8) . 3_666 ?
S3 Ag1 Ag4 75.11(5) . . ?
S3 Ag1 Ag5 50.27(5) . . ?
S3 Ag1 Ag13 126.62(5) . 3_666 ?
S10 Ag1 Ag4 128.99(6) 3_666 . ?
S10 Ag1 Ag5 137.99(6) 3_666 . ?
S10 Ag1 Ag13 52.55(5) 3_666 3_666 ?
S10 Ag1 S3 90.34(7) 3_666 . ?
O3 Ag1 Ag4 132.51(18) . . ?
O3 Ag1 Ag5 75.63(18) . . ?
O3 Ag1 Ag13 123.30(18) . 3_666 ?
O3 Ag1 S1 108.1(2) . . ?
O3 Ag1 S3 94.05(19) . . ?
O3 Ag1 S10 96.44(19) . 3_666 ?
Ag4 Ag2 Ag3 58.84(2) . . ?
Ag10 Ag2 Ag3 155.41(3) 3_666 . ?
Ag10 Ag2 Ag4 96.75(3) 3_666 . ?
S1 Ag2 Ag3 86.47(6) . . ?
S1 Ag2 Ag4 51.12(5) . . ?
S1 Ag2 Ag10 78.92(6) . 3_666 ?
S1 Ag2 S5 124.26(7) . 3_666 ?
S1 Ag2 S8 130.54(7) . 3_666 ?
S5 Ag2 Ag3 51.48(5) 3_666 . ?
S5 Ag2 Ag4 74.42(5) 3_666 . ?
S5 Ag2 Ag10 123.34(5) 3_666 3_666 ?
S8 Ag2 Ag3 140.97(6) 3_666 . ?
S8 Ag2 Ag4 130.63(6) 3_666 . ?
S8 Ag2 Ag10 51.92(5) 3_666 3_666 ?
S8 Ag2 S5 91.72(7) 3_666 3_666 ?
O2 Ag2 Ag3 71.5(2) . . ?
O2 Ag2 Ag4 124.4(2) . . ?
O2 Ag2 Ag10 131.5(2) . 3_666 ?
O2 Ag2 S1 106.1(2) . . ?
O2 Ag2 S5 94.2(2) . 3_666 ?
O2 Ag2 S8 103.3(2) . 3_666 ?
Ag4 Ag3 Ag2 59.10(2) . . ?
Ag9 Ag3 Ag2 103.53(3) 3_666 . ?
Ag9 Ag3 Ag4 83.36(3) 3_666 . ?
S2 Ag3 Ag2 130.92(6) . . ?
S2 Ag3 Ag4 78.08(6) . . ?
S2 Ag3 Ag9 93.32(6) . 3_666 ?
S2 Ag3 S5 139.04(7) . 3_666 ?
S5 Ag3 Ag2 54.81(5) 3_666 . ?
S5 Ag3 Ag4 76.12(5) 3_666 . ?
S5 Ag3 Ag9 52.63(5) 3_666 3_666 ?
O1 Ag3 Ag2 86.7(2) . . ?
O1 Ag3 Ag4 143.3(2) . . ?
O1 Ag3 Ag9 120.3(2) . 3_666 ?
O1 Ag3 S2 123.46(19) . . ?
O1 Ag3 S5 95.7(2) . 3_666 ?
Ag1 Ag4 Ag2 108.25(3) . . ?
Ag1 Ag4 Ag3 130.17(3) . . ?
Ag1 Ag4 Ag5 63.52(2) . . ?
Ag2 Ag4 Ag5 126.49(3) . . ?
Ag3 Ag4 Ag2 62.06(2) . . ?
Ag3 Ag4 Ag5 83.38(3) . . ?
S1 Ag4 Ag1 55.58(6) . . ?
S1 Ag4 Ag2 54.09(6) . . ?
S1 Ag4 Ag3 90.45(6) . . ?
S1 Ag4 Ag5 89.64(6) . . ?
O5 Ag4 Ag1 123.8(2) . . ?
O5 Ag4 Ag2 128.0(2) . . ?
O5 Ag4 Ag3 82.52(19) . . ?
O5 Ag4 Ag5 81.01(18) . . ?
O5 Ag4 S1 168.87(18) . . ?
Ag4 Ag5 Ag1 54.68(2) . . ?
Ag7 Ag5 Ag1 100.44(3) . . ?
Ag7 Ag5 Ag4 81.92(3) . . ?
S2 Ag5 Ag1 126.32(6) . . ?
S2 Ag5 Ag4 75.45(5) . . ?
S2 Ag5 Ag7 89.87(5) . . ?
S2 Ag5 S3 131.28(7) . . ?
S3 Ag5 Ag1 55.49(5) . . ?
S3 Ag5 Ag4 73.57(5) . . ?
S3 Ag5 Ag7 49.40(5) . . ?
O4 Ag5 Ag1 80.57(18) . . ?
O4 Ag5 Ag4 131.44(19) . . ?
O4 Ag5 Ag7 128.6(2) . . ?
O4 Ag5 S2 131.0(2) . . ?
O4 Ag5 S3 97.7(2) . . ?
Ag7 Ag6 Ag9 108.65(3) . 3_666 ?
S2 Ag6 Ag7 91.08(6) . . ?
S2 Ag6 Ag9 81.75(5) . 3_666 ?
S2 Ag6 S4 118.27(8) . 3_666 ?
S2 Ag6 S7 134.06(8) . . ?
S4 Ag6 Ag7 129.20(6) 3_666 . ?
S4 Ag6 Ag9 45.46(5) 3_666 3_666 ?
S7 Ag6 Ag7 51.48(5) . . ?
S7 Ag6 Ag9 130.53(6) . 3_666 ?
S7 Ag6 S4 106.93(7) . 3_666 ?
Ag6 Ag7 Ag5 76.74(3) . . ?
Ag11 Ag7 Ag5 162.35(4) . . ?
Ag11 Ag7 Ag6 108.24(3) . . ?
S3 Ag7 Ag5 53.19(5) . . ?
S3 Ag7 Ag6 125.78(6) . . ?
S3 Ag7 Ag11 125.84(6) . . ?
S3 Ag7 S7 168.23(8) . . ?
S7 Ag7 Ag5 120.58(6) . . ?
S7 Ag7 Ag6 54.76(6) . . ?
S7 Ag7 Ag11 56.33(6) . . ?
S3 Ag8 Ag9 143.86(7) . . ?
S3 Ag8 S5 155.44(8) . . ?
S3 Ag8 O6 104.7(3) . 3_666 ?
S3 Ag8 O8 102.3(3) . . ?
S5 Ag8 Ag9 47.26(5) . . ?
S5 Ag8 O6 96.6(3) . 3_666 ?
S5 Ag8 O8 89.5(2) . . ?
O6 Ag8 Ag9 53.1(3) 3_666 . ?
O8 Ag8 Ag9 105.4(3) . . ?
O8 Ag8 O6 90.0(4) . 3_666 ?
Ag3 Ag9 Ag6 77.95(2) 3_666 3_666 ?
Ag3 Ag9 Ag8 95.88(3) 3_666 . ?
Ag3 Ag9 Ag14 156.33(3) 3_666 3_666 ?
Ag8 Ag9 Ag6 131.07(3) . 3_666 ?
Ag14 Ag9 Ag6 107.26(3) 3_666 3_666 ?
Ag14 Ag9 Ag8 97.30(3) 3_666 . ?
S4 Ag9 Ag3 117.74(6) . 3_666 ?
S4 Ag9 Ag6 51.03(6) . 3_666 ?
S4 Ag9 Ag8 142.90(6) . . ?
S4 Ag9 Ag14 57.83(6) . 3_666 ?
S4 Ag9 S5 168.79(8) . . ?
S5 Ag9 Ag3 56.21(5) . 3_666 ?
S5 Ag9 Ag6 129.61(6) . 3_666 ?
S5 Ag9 Ag8 47.30(5) . . ?
S5 Ag9 Ag14 123.13(6) . 3_666 ?
Ag2 Ag10 Ag12 171.38(3) 3_666 . ?
Ag11 Ag10 Ag2 110.65(3) . 3_666 ?
Ag11 Ag10 Ag12 60.74(2) . . ?
S8 Ag10 Ag2 57.61(6) . 3_666 ?
S8 Ag10 Ag11 55.99(6) . . ?
S8 Ag10 Ag12 114.08(6) . . ?
S8 Ag10 S9 162.90(8) . . ?
S8 Ag10 O7 110.5(3) . . ?
S9 Ag10 Ag2 135.89(6) . 3_666 ?
S9 Ag10 Ag11 113.30(6) . . ?
S9 Ag10 Ag12 52.73(6) . . ?
S9 Ag10 O7 78.6(3) . . ?
O7 Ag10 Ag2 104.4(3) . 3_666 ?
O7 Ag10 Ag11 81.9(3) . . ?
O7 Ag10 Ag12 75.7(3) . . ?
Ag7 Ag11 Ag12 97.23(3) . . ?
Ag10 Ag11 Ag7 91.21(3) . . ?
Ag10 Ag11 Ag12 64.46(2) . . ?
S7 Ag11 Ag7 52.12(5) . . ?
S7 Ag11 Ag10 93.83(5) . . ?
S7 Ag11 Ag12 52.84(5) . . ?
S8 Ag11 Ag7 100.41(6) . . ?
S8 Ag11 Ag10 53.07(5) . . ?
S8 Ag11 Ag12 114.86(6) . . ?
S8 Ag11 S7 139.33(7) . . ?
O9 Ag11 Ag7 92.03(18) . . ?
O9 Ag11 Ag10 164.47(19) . . ?
O9 Ag11 Ag12 130.04(19) . . ?
O9 Ag11 S7 100.13(19) . . ?
O9 Ag11 S8 111.40(19) . . ?
O9 Ag11 O10 81.4(3) . . ?
O10 Ag11 Ag7 156.5(2) . . ?
O10 Ag11 Ag10 101.19(18) . . ?
O10 Ag11 Ag12 71.05(17) . . ?
O10 Ag11 S7 106.68(19) . . ?
O10 Ag11 S8 103.0(2) . . ?
Ag10 Ag12 Ag15 92.36(3) . . ?
Ag11 Ag12 Ag10 54.80(2) . . ?
Ag11 Ag12 Ag15 135.72(3) . . ?
S7 Ag12 Ag10 87.90(6) . . ?
S7 Ag12 Ag11 54.10(6) . . ?
S7 Ag12 Ag15 101.86(6) . . ?
S7 Ag12 S9 116.56(7) . . ?
S9 Ag12 Ag10 48.78(5) . . ?
S9 Ag12 Ag11 103.45(6) . . ?
S9 Ag12 Ag15 50.03(5) . . ?
O11 Ag12 Ag10 118.6(2) . . ?
O11 Ag12 Ag11 87.6(2) . . ?
O11 Ag12 Ag15 136.6(2) . . ?
O11 Ag12 S7 108.5(2) . . ?
O11 Ag12 S9 131.1(2) . . ?
O11 Ag12 O12 83.1(3) . . ?
O12 Ag12 Ag10 140.1(2) . . ?
O12 Ag12 Ag11 165.1(2) . . ?
O12 Ag12 Ag15 54.97(19) . . ?
O12 Ag12 S7 118.3(2) . . ?
O12 Ag12 S9 91.4(2) . . ?
Ag1 Ag13 Ag14 111.68(3) 3_666 . ?
Ag1 Ag13 Ag15 173.27(3) 3_666 . ?
Ag14 Ag13 Ag15 61.81(2) . . ?
S9 Ag13 Ag1 133.80(6) . 3_666 ?
S9 Ag13 Ag14 114.52(6) . . ?
S9 Ag13 Ag15 52.74(6) . . ?
S9 Ag13 S10 162.91(8) . . ?
S10 Ag13 Ag1 58.52(6) . 3_666 ?
S10 Ag13 Ag14 55.04(6) . . ?
S10 Ag13 Ag15 114.75(6) . . ?
Ag9 Ag14 Ag15 96.89(3) 3_666 . ?
Ag13 Ag14 Ag9 86.90(3) . 3_666 ?
Ag13 Ag14 Ag15 60.81(2) . . ?
S4 Ag14 Ag9 51.09(5) 3_666 3_666 ?
S4 Ag14 Ag13 86.96(5) 3_666 . ?
S4 Ag14 Ag15 52.87(5) 3_666 . ?
S10 Ag14 Ag9 94.24(6) . 3_666 ?
S10 Ag14 Ag13 52.48(5) . . ?
S10 Ag14 Ag15 111.32(6) . . ?
S10 Ag14 S4 130.25(8) . 3_666 ?
O14 Ag14 Ag9 135.9(2) . 3_666 ?
O14 Ag14 Ag13 123.3(2) . . ?
O14 Ag14 Ag15 76.09(17) . . ?
O14 Ag14 S4 95.3(2) . 3_666 ?
O14 Ag14 S10 129.2(2) . . ?
Ag13 Ag15 Ag12 96.82(3) . . ?
Ag13 Ag15 Ag14 57.38(2) . . ?
Ag14 Ag15 Ag12 142.34(3) . . ?
S4 Ag15 Ag12 100.78(6) 3_666 . ?
S4 Ag15 Ag13 85.78(5) 3_666 . ?
S4 Ag15 Ag14 54.65(5) 3_666 . ?
S9 Ag15 Ag12 52.38(5) . . ?
S9 Ag15 Ag13 51.06(5) . . ?
S9 Ag15 Ag14 108.42(6) . . ?
S9 Ag15 S4 115.47(8) . 3_666 ?
O13 Ag15 Ag12 133.54(18) . . ?
O13 Ag15 Ag13 123.2(2) . . ?
O13 Ag15 Ag14 83.37(17) . . ?
O13 Ag15 S4 104.35(19) . 3_666 ?
O13 Ag15 S9 137.9(2) . . ?
Ag1 S1 Ag2 143.27(10) . . ?
Ag4 S1 Ag1 71.67(6) . . ?
Ag4 S1 Ag2 74.79(7) . . ?
C36 S1 Ag1 101.9(4) . . ?
C36 S1 Ag2 103.4(4) . . ?
C36 S1 Ag4 110.2(3) . . ?
Ag3 S2 Ag5 115.52(9) . . ?
Ag3 S2 Ag6 106.81(8) . . ?
Ag5 S2 Ag6 101.17(8) . . ?
C50 S2 Ag3 106.5(3) . . ?
C50 S2 Ag5 110.7(4) . . ?
C50 S2 Ag6 116.4(3) . . ?
Ag5 S3 Ag1 74.24(6) . . ?
Ag7 S3 Ag1 140.03(9) . . ?
Ag7 S3 Ag5 77.41(7) . . ?
Ag7 S3 Ag8 92.01(8) . . ?
Ag8 S3 Ag1 90.63(8) . . ?
Ag8 S3 Ag5 138.06(9) . . ?
C29 S3 Ag1 97.6(4) . . ?
C29 S3 Ag5 106.5(4) . . ?
C29 S3 Ag7 117.3(5) . . ?
C29 S3 Ag8 114.2(4) . . ?
Ag9 S4 Ag6 83.51(7) . 3_666 ?
Ag9 S4 Ag14 71.08(6) . 3_666 ?
Ag9 S4 Ag15 128.90(9) . 3_666 ?
Ag14 S4 Ag6 149.94(9) 3_666 3_666 ?
Ag15 S4 Ag6 114.94(9) 3_666 3_666 ?
Ag15 S4 Ag14 72.48(6) 3_666 3_666 ?
C43 S4 Ag6 98.2(3) . 3_666 ?
C43 S4 Ag9 113.7(3) . . ?
C43 S4 Ag14 106.4(3) . 3_666 ?
C43 S4 Ag15 110.2(3) . 3_666 ?
Ag3 S5 Ag2 73.70(6) 3_666 3_666 ?
Ag8 S5 Ag2 102.94(8) . 3_666 ?
Ag8 S5 Ag3 135.65(9) . 3_666 ?
Ag9 S5 Ag2 136.53(9) . 3_666 ?
Ag9 S5 Ag3 71.16(6) . 3_666 ?
Ag9 S5 Ag8 85.43(7) . . ?
C22 S5 Ag2 106.8(3) . 3_666 ?
C22 S5 Ag3 109.3(3) . 3_666 ?
C22 S5 Ag8 113.8(3) . . ?
C22 S5 Ag9 108.3(3) . . ?
O5 S6 O7 98.6(6) . . ?
O6 S6 O5 114.6(6) . . ?
O6 S6 O7 105.1(7) . . ?
O8 S6 O5 119.3(6) . . ?
O8 S6 O6 119.7(8) . . ?
O8 S6 O7 92.0(8) . . ?
Ag6 S7 Ag11 139.42(9) . . ?
Ag7 S7 Ag6 73.76(6) . . ?
Ag7 S7 Ag11 71.56(7) . . ?
Ag7 S7 Ag12 128.66(9) . . ?
Ag12 S7 Ag6 115.46(9) . . ?
Ag12 S7 Ag11 73.07(6) . . ?
C57 S7 Ag6 109.3(3) . . ?
C57 S7 Ag7 107.2(3) . . ?
C57 S7 Ag11 100.6(4) . . ?
C57 S7 Ag12 115.0(3) . . ?
Ag10 S8 Ag2 70.47(6) . 3_666 ?
Ag10 S8 Ag11 70.94(6) . . ?
Ag11 S8 Ag2 136.14(9) . 3_666 ?
C15 S8 Ag2 107.3(4) . 3_666 ?
C15 S8 Ag10 105.5(3) . . ?
C15 S8 Ag11 102.4(4) . . ?
Ag10 S9 Ag12 78.49(7) . . ?
Ag10 S9 Ag13 97.81(9) . . ?
Ag10 S9 Ag15 136.72(10) . . ?
Ag13 S9 Ag12 136.22(10) . . ?
Ag13 S9 Ag15 76.20(7) . . ?
Ag15 S9 Ag12 77.59(7) . . ?
C1 S9 Ag10 109.5(4) . . ?
C1 S9 Ag12 112.0(4) . . ?
C1 S9 Ag13 110.2(4) . . ?
C1 S9 Ag15 112.8(4) . . ?
Ag13 S10 Ag1 68.93(6) . 3_666 ?
Ag13 S10 Ag14 72.47(7) . . ?
Ag14 S10 Ag1 137.96(10) . 3_666 ?
C8 S10 Ag1 101.1(4) . 3_666 ?
C8 S10 Ag13 108.7(3) . . ?
C8 S10 Ag14 106.5(4) . . ?
C66 O1 Ag3 117.5(7) . . ?
C66 O2 Ag2 130.2(7) . . ?
C64 O3 Ag1 128.0(6) . . ?
C64 O4 Ag5 125.5(6) . . ?
S6 O5 Ag4 122.8(5) . . ?
S6 O6 Ag8 122.6(7) . 3_666 ?
S6 O7 Ag10 121.4(7) . . ?
S6 O8 Ag8 129.4(6) . . ?
C75 O9 Ag11 119.9(7) . . ?
C70 O10 Ag11 128.6(7) . . ?
C70 O11 Ag12 115.7(7) . . ?
C72 O12 Ag12 117.9(8) . . ?
C68 O13 Ag15 120.9(6) . . ?
C68 O14 Ag14 127.2(6) . . ?
C75 N1 C76 120.8(9) . . ?
C75 N1 C77 120.6(10) . . ?
C77 N1 C76 118.6(10) . . ?
C72 N2 C73 125.5(11) . . ?
C72 N2 C74 121.4(11) . . ?
C73 N2 C74 113.1(11) . . ?
S9 C1 H1A 109.8 . . ?
S9 C1 H1B 109.8 . . ?
H1A C1 H1B 108.2 . . ?
C2 C1 S9 109.4(7) . . ?
C2 C1 H1A 109.8 . . ?
C2 C1 H1B 109.8 . . ?
C3 C2 C1 118.4(9) . . ?
C7 C2 C1 120.9(10) . . ?
C7 C2 C3 120.7(10) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.5(11) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 120.9 . . ?
C5 C4 C3 118.2(11) . . ?
C5 C4 H4 120.9 . . ?
C4 C5 H5 119.0 . . ?
C6 C5 C4 121.9(12) . . ?
C6 C5 H5 119.0 . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C7 119.5(12) . . ?
C7 C6 H6 120.2 . . ?
C2 C7 C6 119.0(11) . . ?
C2 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
S10 C8 H8A 108.6 . . ?
S10 C8 H8B 108.6 . . ?
H8A C8 H8B 107.5 . . ?
C9 C8 S10 114.9(7) . . ?
C9 C8 H8A 108.6 . . ?
C9 C8 H8B 108.6 . . ?
C10 C9 C8 121.0(10) . . ?
C10 C9 C14 126.1(12) . . ?
C14 C9 C8 112.9(10) . . ?
C9 C10 H10 120.5 . . ?
C9 C10 C11 119.0(13) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 118.0 . . ?
C12 C11 C10 123.9(14) . . ?
C12 C11 H11 118.0 . . ?
C11 C12 H12 128.0 . . ?
C13 C12 C11 103.9(13) . . ?
C13 C12 H12 128.0 . . ?
C12 C13 H13 107.5 . . ?
C14 C13 C12 145.0(13) . . ?
C14 C13 H13 107.5 . . ?
C9 C14 H14 129.2 . . ?
C13 C14 C9 101.7(11) . . ?
C13 C14 H14 129.2 . . ?
S8 C15 H15A 110.0 . . ?
S8 C15 H15B 110.0 . . ?
H15A C15 H15B 108.4 . . ?
C16 C15 S8 108.6(9) . . ?
C16 C15 H15A 110.0 . . ?
C16 C15 H15B 110.0 . . ?
C17 C16 C15 120.9(11) . . ?
C17 C16 C21 117.8(12) . . ?
C21 C16 C15 121.3(10) . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.2(13) . . ?
C18 C17 H17 119.4 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.1(13) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.3 . . ?
C18 C19 C20 119.3(14) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.8(13) . . ?
C21 C20 H20 120.1 . . ?
C16 C21 H21 119.2 . . ?
C20 C21 C16 121.6(12) . . ?
C20 C21 H21 119.2 . . ?
S5 C22 H22A 109.5 . . ?
S5 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C23 C22 S5 110.7(6) . . ?
C23 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C24 C23 C22 122.7(8) . . ?
C24 C23 C28 118.5(10) . . ?
C28 C23 C22 118.8(8) . . ?
C23 C24 H24 120.4 . . ?
C23 C24 C25 119.1(10) . . ?
C25 C24 H24 120.4 . . ?
C24 C25 H25 120.5 . . ?
C26 C25 C24 119.0(11) . . ?
C26 C25 H25 120.5 . . ?
C25 C26 H26 117.8 . . ?
C25 C26 C27 124.5(13) . . ?
C27 C26 H26 117.8 . . ?
C26 C27 H27 123.4 . . ?
C28 C27 C26 113.2(12) . . ?
C28 C27 H27 123.4 . . ?
C23 C28 H28 117.2 . . ?
C27 C28 C23 125.5(11) . . ?
C27 C28 H28 117.2 . . ?
S3 C29 H29A 107.8 . . ?
S3 C29 H29B 107.8 . . ?
H29A C29 H29B 107.1 . . ?
C30 C29 S3 118.2(7) . . ?
C30 C29 H29A 107.7 . . ?
C30 C29 H29B 107.8 . . ?
C31 C30 C29 119.5(9) . . ?
C31 C30 C35 118.4(10) . . ?
C35 C30 C29 122.0(8) . . ?
C30 C31 H31 119.5 . . ?
C32 C31 C30 121.1(12) . . ?
C32 C31 H31 119.5 . . ?
C31 C32 H32 122.2 . . ?
C33 C32 C31 115.6(13) . . ?
C33 C32 H32 122.2 . . ?
C32 C33 H33 116.4 . . ?
C34 C33 C32 127.1(13) . . ?
C34 C33 H33 116.4 . . ?
C33 C34 H34 123.4 . . ?
C33 C34 C35 113.2(11) . . ?
C35 C34 H34 123.4 . . ?
C30 C35 H35 118.1 . . ?
C34 C35 C30 123.9(11) . . ?
C34 C35 H35 118.1 . . ?
S1 C36 H36A 109.1 . . ?
S1 C36 H36B 109.1 . . ?
H36A C36 H36B 107.8 . . ?
C37 C36 S1 112.5(8) . . ?
C37 C36 H36A 109.1 . . ?
C37 C36 H36B 109.1 . . ?
C38 C37 C36 121.2(9) . . ?
C42 C37 C36 121.0(9) . . ?
C42 C37 C38 117.7(11) . . ?
C37 C38 H38 118.3 . . ?
C39 C38 C37 123.4(12) . . ?
C39 C38 H38 118.3 . . ?
C38 C39 H39 121.6 . . ?
C40 C39 C38 116.8(14) . . ?
C40 C39 H39 121.6 . . ?
C39 C40 H40 118.9 . . ?
C39 C40 C41 122.3(16) . . ?
C41 C40 H40 118.9 . . ?
C40 C41 H41 120.6 . . ?
C40 C41 C42 118.8(16) . . ?
C42 C41 H41 120.6 . . ?
C37 C42 C41 120.9(13) . . ?
C37 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
S4 C43 H43A 110.0 . . ?
S4 C43 H43B 110.0 . . ?
H43A C43 H43B 108.4 . . ?
C44 C43 S4 108.4(7) . . ?
C44 C43 H43A 110.0 . . ?
C44 C43 H43B 110.0 . . ?
C45 C44 C43 119.5(8) . . ?
C45 C44 C49 119.5(10) . . ?
C49 C44 C43 120.9(9) . . ?
C44 C45 H45 120.4 . . ?
C44 C45 C46 119.3(11) . . ?
C46 C45 H45 120.4 . . ?
C45 C46 H46 120.2 . . ?
C47 C46 C45 119.6(13) . . ?
C47 C46 H46 120.2 . . ?
C46 C47 H47 118.8 . . ?
C48 C47 C46 122.5(13) . . ?
C48 C47 H47 118.8 . . ?
C47 C48 H48 121.7 . . ?
C47 C48 C49 116.6(13) . . ?
C49 C48 H48 121.7 . . ?
C44 C49 H49 118.8 . . ?
C48 C49 C44 122.5(12) . . ?
C48 C49 H49 118.8 . . ?
S2 C50 H50A 109.3 . . ?
S2 C50 H50B 109.3 . . ?
H50A C50 H50B 108.0 . . ?
C51 C50 S2 111.6(7) . . ?
C51 C50 H50A 109.3 . . ?
C51 C50 H50B 109.3 . . ?
C52 C51 C50 120.4(9) . . ?
C56 C51 C50 121.3(8) . . ?
C56 C51 C52 118.2(9) . . ?
C51 C52 H52 119.1 . . ?
C51 C52 C53 121.7(10) . . ?
C53 C52 H52 119.1 . . ?
C52 C53 H53 119.8 . . ?
C54 C53 C52 120.4(10) . . ?
C54 C53 H53 119.8 . . ?
C53 C54 H54 121.2 . . ?
C53 C54 C55 117.6(11) . . ?
C55 C54 H54 121.2 . . ?
C54 C55 H55 119.0 . . ?
C54 C55 C56 122.1(11) . . ?
C56 C55 H55 119.0 . . ?
C51 C56 C55 119.9(10) . . ?
C51 C56 H56 120.1 . . ?
C55 C56 H56 120.1 . . ?
S7 C57 H57A 109.3 . . ?
S7 C57 H57B 109.3 . . ?
H57A C57 H57B 108.0 . . ?
C58 C57 S7 111.7(6) . . ?
C58 C57 H57A 109.3 . . ?
C58 C57 H57B 109.3 . . ?
C59 C58 C57 120.2(9) . . ?
C63 C58 C57 122.0(9) . . ?
C63 C58 C59 117.8(10) . . ?
C58 C59 H59 119.6 . . ?
C60 C59 C58 120.8(11) . . ?
C60 C59 H59 119.6 . . ?
C59 C60 H60 119.5 . . ?
C61 C60 C59 120.9(12) . . ?
C61 C60 H60 119.5 . . ?
C60 C61 H61 120.5 . . ?
C62 C61 C60 119.0(12) . . ?
C62 C61 H61 120.5 . . ?
C61 C62 H62 120.2 . . ?
C61 C62 C63 119.6(11) . . ?
C63 C62 H62 120.2 . . ?
C58 C63 C62 121.8(10) . . ?
C58 C63 H63 119.1 . . ?
C62 C63 H63 119.1 . . ?
O3 C64 C65 114.5(9) . . ?
O4 C64 O3 130.2(9) . . ?
O4 C64 C65 115.2(9) . . ?
F1A C65 F3A 105.1(13) . . ?
F1A C65 C64 113.6(10) . . ?
F1B C65 F2B 106(2) . . ?
F1B C65 C64 113.6(17) . . ?
F2A C65 F1A 107.3(13) . . ?
F2A C65 F3A 101.3(11) . . ?
F2A C65 C64 113.9(9) . . ?
F2B C65 C64 110.1(15) . . ?
F3A C65 C64 114.5(9) . . ?
F3B C65 F1B 101(3) . . ?
F3B C65 F2B 108(3) . . ?
F3B C65 C64 117(2) . . ?
O1 C66 O2 130.3(9) . . ?
O1 C66 C67 112.6(10) . . ?
O2 C66 C67 117.1(10) . . ?
F7A C67 F8A 105(3) . . ?
F7A C67 F9A 113.1(18) . . ?
F7A C67 C66 113.1(19) . . ?
F7B C67 C66 111.9(14) . . ?
F8A C67 C66 111(2) . . ?
F8B C67 F7B 108.0(18) . . ?
F8B C67 F9B 99.9(19) . . ?
F8B C67 C66 109.8(14) . . ?
F9A C67 F8A 102(2) . . ?
F9A C67 C66 111.4(12) . . ?
F9B C67 F7B 112.1(18) . . ?
F9B C67 C66 114.4(19) . . ?
O13 C68 O14 131.0(9) . . ?
O13 C68 C69 114.1(9) . . ?
O14 C68 C69 114.8(9) . . ?
F10 C69 F11 107.2(10) . . ?
F10 C69 F12 106.7(10) . . ?
F10 C69 C68 113.1(9) . . ?
F11 C69 F12 105.8(9) . . ?
F11 C69 C68 110.0(10) . . ?
F12 C69 C68 113.7(9) . . ?
O10 C70 O11 130.5(10) . . ?
O10 C70 C71 114.9(9) . . ?
O11 C70 C71 114.6(10) . . ?
F4A C71 C70 110.5(19) . . ?
F4B C71 C70 107.8(16) . . ?
F5A C71 F4A 86(2) . . ?
F5A C71 F6A 124(2) . . ?
F5A C71 C70 113.4(15) . . ?
F5B C71 F4B 106.1(18) . . ?
F5B C71 C70 112.1(11) . . ?
F6A C71 F4A 107(2) . . ?
F6A C71 C70 112.2(13) . . ?
F6B C71 F4B 99.3(18) . . ?
F6B C71 F5B 116.5(17) . . ?
F6B C71 C70 113.6(14) . . ?
O12 C72 H72 118.3 . . ?
N2 C72 O12 123.5(13) . . ?
N2 C72 H72 118.3 . . ?
N2 C73 H73A 109.5 . . ?
N2 C73 H73B 109.5 . . ?
N2 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
N2 C74 H74A 109.5 . . ?
N2 C74 H74B 109.5 . . ?
N2 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
O9 C75 N1 124.0(11) . . ?
O9 C75 H75 118.0 . . ?
N1 C75 H75 118.0 . . ?
N1 C76 H76A 109.5 . . ?
N1 C76 H76B 109.5 . . ?
N1 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N1 C77 H77A 109.5 . . ?
N1 C77 H77B 109.5 . . ?
N1 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 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 C36 C37 106.6(7) . . . . ?
Ag1 S3 C29 C30 -129.4(9) . . . . ?
Ag1 S10 C8 C9 79.7(9) 3_666 . . . ?
Ag1 O3 C64 O4 -4.9(16) . . . . ?
Ag1 O3 C64 C65 176.3(6) . . . . ?
Ag2 S1 C36 C37 -100.2(7) . . . . ?
Ag2 S5 C22 C23 165.0(5) 3_666 . . . ?
Ag2 S8 C15 C16 106.8(8) 3_666 . . . ?
Ag2 O2 C66 O1 14.7(17) . . . . ?
Ag2 O2 C66 C67 -162.8(6) . . . . ?
Ag3 S2 C50 C51 -70.1(7) . . . . ?
Ag3 S5 C22 C23 86.8(6) 3_666 . . . ?
Ag3 O1 C66 O2 5.4(15) . . . . ?
Ag3 O1 C66 C67 -177.0(6) . . . . ?
Ag4 S1 C36 C37 -178.7(6) . . . . ?
Ag5 S2 C50 C51 56.2(7) . . . . ?
Ag5 S3 C29 C30 154.9(9) . . . . ?
Ag5 O4 C64 O3 1.7(16) . . . . ?
Ag5 O4 C64 C65 -179.5(6) . . . . ?
Ag6 S2 C50 C51 171.0(5) . . . . ?
Ag6 S4 C43 C44 39.4(7) 3_666 . . . ?
Ag6 S7 C57 C58 -45.4(8) . . . . ?
Ag7 S3 C29 C30 70.7(11) . . . . ?
Ag7 S7 C57 C58 32.9(8) . . . . ?
Ag8 S3 C29 C30 -35.3(11) . . . . ?
Ag8 S5 C22 C23 -82.1(7) . . . . ?
Ag9 S4 C43 C44 125.9(6) . . . . ?
Ag9 S5 C22 C23 11.0(7) . . . . ?
Ag10 S8 C15 C16 -179.3(7) . . . . ?
Ag10 S9 C1 C2 28.4(9) . . . . ?
Ag11 S7 C57 C58 106.7(7) . . . . ?
Ag11 S8 C15 C16 -105.9(8) . . . . ?
Ag11 O9 C75 N1 155.9(8) . . . . ?
Ag11 O10 C70 O11 24.9(19) . . . . ?
Ag11 O10 C70 C71 -157.6(7) . . . . ?
Ag12 S7 C57 C58 -177.1(6) . . . . ?
Ag12 S9 C1 C2 -56.7(9) . . . . ?
Ag12 O11 C70 O10 0.1(18) . . . . ?
Ag12 O11 C70 C71 -177.3(7) . . . . ?
Ag12 O12 C72 N2 170.7(10) . . . . ?
Ag13 S9 C1 C2 134.9(7) . . . . ?
Ag13 S10 C8 C9 8.4(10) . . . . ?
Ag14 S4 C43 C44 -158.0(6) 3_666 . . . ?
Ag14 S10 C8 C9 -68.3(9) . . . . ?
Ag14 O14 C68 O13 -7.4(17) . . . . ?
Ag14 O14 C68 C69 171.9(7) . . . . ?
Ag15 S4 C43 C44 -81.0(7) 3_666 . . . ?
Ag15 S9 C1 C2 -142.1(7) . . . . ?
Ag15 O13 C68 O14 14.9(16) . . . . ?
Ag15 O13 C68 C69 -164.4(7) . . . . ?
S1 C36 C37 C38 94.9(12) . . . . ?
S1 C36 C37 C42 -84.5(13) . . . . ?
S2 C50 C51 C52 95.7(10) . . . . ?
S2 C50 C51 C56 -80.6(10) . . . . ?
S3 C29 C30 C31 151.9(10) . . . . ?
S3 C29 C30 C35 -30.1(15) . . . . ?
S4 C43 C44 C45 -113.7(9) . . . . ?
S4 C43 C44 C49 68.3(12) . . . . ?
S5 C22 C23 C24 87.6(10) . . . . ?
S5 C22 C23 C28 -91.1(10) . . . . ?
S7 C57 C58 C59 101.5(10) . . . . ?
S7 C57 C58 C63 -79.6(11) . . . . ?
S8 C15 C16 C17 101.7(15) . . . . ?
S8 C15 C16 C21 -78.9(16) . . . . ?
S9 C1 C2 C3 -97.1(10) . . . . ?
S9 C1 C2 C7 82.9(12) . . . . ?
S10 C8 C9 C10 -99.6(13) . . . . ?
S10 C8 C9 C14 80.4(12) . . . . ?
O1 C66 C67 F7A -175.0(17) . . . . ?
O1 C66 C67 F7B 157.1(13) . . . . ?
O1 C66 C67 F8A -57(2) . . . . ?
O1 C66 C67 F8B -83.0(15) . . . . ?
O1 C66 C67 F9A 56.4(14) . . . . ?
O1 C66 C67 F9B 28.3(18) . . . . ?
O2 C66 C67 F7A 2.9(19) . . . . ?
O2 C66 C67 F7B -25.0(15) . . . . ?
O2 C66 C67 F8A 121(2) . . . . ?
O2 C66 C67 F8B 94.9(16) . . . . ?
O2 C66 C67 F9A -125.7(13) . . . . ?
O2 C66 C67 F9B -153.8(16) . . . . ?
O3 C64 C65 F1A 91.4(15) . . . . ?
O3 C64 C65 F1B 37(3) . . . . ?
O3 C64 C65 F2A -145.4(12) . . . . ?
O3 C64 C65 F2B 156(2) . . . . ?
O3 C64 C65 F3A -29.4(14) . . . . ?
O3 C64 C65 F3B -80(3) . . . . ?
O4 C64 C65 F1A -87.6(15) . . . . ?
O4 C64 C65 F1B -142(3) . . . . ?
O4 C64 C65 F2A 35.7(14) . . . . ?
O4 C64 C65 F2B -23(2) . . . . ?
O4 C64 C65 F3A 151.6(12) . . . . ?
O4 C64 C65 F3B 101(3) . . . . ?
O5 S6 O6 Ag8 60.2(10) . . . 3_666 ?
O5 S6 O7 Ag10 -152.6(6) . . . . ?
O5 S6 O8 Ag8 -13.0(14) . . . . ?
O6 S6 O5 Ag4 -86.3(8) . . . . ?
O6 S6 O7 Ag10 88.9(8) . . . . ?
O6 S6 O8 Ag8 137.4(9) . . . . ?
O7 S6 O5 Ag4 162.7(6) . . . . ?
O7 S6 O6 Ag8 167.3(7) . . . 3_666 ?
O7 S6 O8 Ag8 -114.0(10) . . . . ?
O8 S6 O5 Ag4 65.5(10) . . . . ?
O8 S6 O6 Ag8 -91.4(10) . . . 3_666 ?
O8 S6 O7 Ag10 -32.6(8) . . . . ?
O10 C70 C71 F4A 65(3) . . . . ?
O10 C70 C71 F4B 96.3(19) . . . . ?
O10 C70 C71 F5A 160(2) . . . . ?
O10 C70 C71 F5B -147.3(17) . . . . ?
O10 C70 C71 F6A -54(2) . . . . ?
O10 C70 C71 F6B -13(2) . . . . ?
O11 C70 C71 F4A -117(3) . . . . ?
O11 C70 C71 F4B -85.9(19) . . . . ?
O11 C70 C71 F5A -22(3) . . . . ?
O11 C70 C71 F5B 31(2) . . . . ?
O11 C70 C71 F6A 124(2) . . . . ?
O11 C70 C71 F6B 165.1(19) . . . . ?
O13 C68 C69 F10 153.6(10) . . . . ?
O13 C68 C69 F11 -86.6(11) . . . . ?
O13 C68 C69 F12 31.8(14) . . . . ?
O14 C68 C69 F10 -25.8(14) . . . . ?
O14 C68 C69 F11 94.0(11) . . . . ?
O14 C68 C69 F12 -147.6(10) . . . . ?
C1 C2 C3 C4 -177.4(10) . . . . ?
C1 C2 C7 C6 179.5(10) . . . . ?
C2 C3 C4 C5 -3.3(18) . . . . ?
C3 C2 C7 C6 -0.4(16) . . . . ?
C3 C4 C5 C6 2(2) . . . . ?
C4 C5 C6 C7 -0.1(19) . . . . ?
C5 C6 C7 C2 -0.7(17) . . . . ?
C7 C2 C3 C4 2.5(16) . . . . ?
C8 C9 C10 C11 179.7(13) . . . . ?
C8 C9 C14 C13 177.1(13) . . . . ?
C9 C10 C11 C12 2(3) . . . . ?
C10 C9 C14 C13 -3(2) . . . . ?
C10 C11 C12 C13 1(3) . . . . ?
C11 C12 C13 C14 -7(4) . . . . ?
C12 C13 C14 C9 8(4) . . . . ?
C14 C9 C10 C11 0(2) . . . . ?
C15 C16 C17 C18 -179.0(13) . . . . ?
C15 C16 C21 C20 178.1(13) . . . . ?
C16 C17 C18 C19 2(2) . . . . ?
C17 C16 C21 C20 -2(2) . . . . ?
C17 C18 C19 C20 -5(2) . . . . ?
C18 C19 C20 C21 4(2) . . . . ?
C19 C20 C21 C16 0(2) . . . . ?
C21 C16 C17 C18 2(2) . . . . ?
C22 C23 C24 C25 -177.0(9) . . . . ?
C22 C23 C28 C27 178.7(11) . . . . ?
C23 C24 C25 C26 -0.1(18) . . . . ?
C24 C23 C28 C27 -0.1(18) . . . . ?
C24 C25 C26 C27 -3(2) . . . . ?
C25 C26 C27 C28 5(2) . . . . ?
C26 C27 C28 C23 -3(2) . . . . ?
C28 C23 C24 C25 1.7(15) . . . . ?
C29 C30 C31 C32 177.4(14) . . . . ?
C29 C30 C35 C34 -175.5(11) . . . . ?
C30 C31 C32 C33 -5(2) . . . . ?
C31 C30 C35 C34 2.5(17) . . . . ?
C31 C32 C33 C34 11(3) . . . . ?
C32 C33 C34 C35 -9(2) . . . . ?
C33 C34 C35 C30 1.8(18) . . . . ?
C35 C30 C31 C32 -0.6(19) . . . . ?
C36 C37 C38 C39 179.7(12) . . . . ?
C36 C37 C42 C41 -176.1(16) . . . . ?
C37 C38 C39 C40 -2(2) . . . . ?
C38 C37 C42 C41 4(2) . . . . ?
C38 C39 C40 C41 1(3) . . . . ?
C39 C40 C41 C42 3(3) . . . . ?
C40 C41 C42 C37 -5(3) . . . . ?
C42 C37 C38 C39 -1(2) . . . . ?
C43 C44 C45 C46 -178.6(10) . . . . ?
C43 C44 C49 C48 176.5(12) . . . . ?
C44 C45 C46 C47 2.6(19) . . . . ?
C45 C44 C49 C48 -1.4(19) . . . . ?
C45 C46 C47 C48 -3(2) . . . . ?
C46 C47 C48 C49 1(2) . . . . ?
C47 C48 C49 C44 1(2) . . . . ?
C49 C44 C45 C46 -0.6(17) . . . . ?
C50 C51 C52 C53 -177.7(9) . . . . ?
C50 C51 C56 C55 178.1(9) . . . . ?
C51 C52 C53 C54 0.1(17) . . . . ?
C52 C51 C56 C55 1.7(14) . . . . ?
C52 C53 C54 C55 0.6(18) . . . . ?
C53 C54 C55 C56 -0.2(18) . . . . ?
C54 C55 C56 C51 -1.0(17) . . . . ?
C56 C51 C52 C53 -1.3(15) . . . . ?
C57 C58 C59 C60 179.9(10) . . . . ?
C57 C58 C63 C62 178.4(9) . . . . ?
C58 C59 C60 C61 -0.8(18) . . . . ?
C59 C58 C63 C62 -2.7(15) . . . . ?
C59 C60 C61 C62 2.2(18) . . . . ?
C60 C61 C62 C63 -3.8(17) . . . . ?
C61 C62 C63 C58 4.2(15) . . . . ?
C63 C58 C59 C60 1.0(16) . . . . ?
C73 N2 C72 O12 -6(2) . . . . ?
C74 N2 C72 O12 176.4(13) . . . . ?
C76 N1 C75 O9 -0.2(17) . . . . ?
C77 N1 C75 O9 178.4(11) . . . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 410 175 ' '
2 0.047 0.588 0.867 8 1 ' '
3 0.075 0.593 0.802 7 0 ' '
4 0.500 0.500 0.000 410 175 ' '
5 0.427 0.093 0.692 8 0 ' '
6 0.456 0.087 0.628 7 1 ' '
7 0.547 0.912 0.367 8 1 ' '
8 0.575 0.907 0.302 7 0 ' '
9 0.927 0.407 0.192 8 0 ' '
10 0.956 0.413 0.128 7 1 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.845
_oxdiff_exptl_absorpt_empirical_full_min 0.548
####################################################################### 
# 
# 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_ag34
_database_code_depnum_ccdc_archive 'CCDC 1868083'
_audit_update_record             
;
2018-09-17 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
# end Validation Reply Form
_audit_creation_date             2018-09-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C162 H168 Ag34 F27 N6 O24 S20'
_chemical_formula_sum            'C162 H168 Ag34 F27 N6 O24 S20'
_chemical_formula_weight         7404.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Cu'
_chemical_oxdiff_usercomment     'C H O'
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           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'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'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'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'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-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'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   30.3700(4)
_cell_length_b                   30.3700(4)
_cell_length_c                   39.4849(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     31539.2(10)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    10467
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      72.6240
_cell_measurement_theta_min      2.8210
_shelx_estimated_absorpt_T_max   0.115
_shelx_estimated_absorpt_T_min   0.097
_exptl_absorpt_coefficient_mu    27.293
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.29929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.339
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             21210
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            26916
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.261
_diffrn_reflns_theta_min         2.799
_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 0.997
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -28.00  27.00   0.50    3.00    --    0.00  57.00 -90.00  110
  2  ω     86.00 185.00   0.50   10.00    --   97.60  33.00  67.00  198
  3  ω     13.00  45.00   0.50   10.00    --   97.60 -82.00  30.00   64
  4  ω     54.00 135.00   0.50   10.00    --   97.60 -82.00  30.00  162
  5  ω     65.00 187.00   0.50   10.00    --   97.60  30.00 120.00  244
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0240694000
_diffrn_orient_matrix_UB_12      -0.0175006000
_diffrn_orient_matrix_UB_13      -0.0353231000
_diffrn_orient_matrix_UB_21      0.0051160000
_diffrn_orient_matrix_UB_22      0.0524705000
_diffrn_orient_matrix_UB_23      -0.0060968000
_diffrn_orient_matrix_UB_31      0.0531107000
_diffrn_orient_matrix_UB_32      0.0191983000
_diffrn_orient_matrix_UB_33      -0.0154354000
_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                5138
_reflns_number_total             6929
_reflns_odcompleteness_completeness 99.64
_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 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.988
_refine_diff_density_min         -1.165
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6929
_refine_ls_number_restraints     281
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0600
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1128P)²+512.6708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1731
_refine_ls_wR_factor_ref         0.1941
_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
 N1-C25
 1.45 with sigma of 0.01
 C7A-C2A
 1.4 with sigma of 0.01
 H12_$1-H26B
 2 with sigma of 0.01
 H26A-H25B
 1.9 with sigma of 0.01
 O1-H24
 1.65 with sigma of 0.01
 H5B-H20_$2
 2.43 with sigma of 0.01
 C7B-C3B \\sim C6B-C4B
 with sigma of 0.01
 C7A-C3A \\sim C6A-C4A
 with sigma of 0.01
 C9-C10 \\sim C10-C11 \\sim C12-C11 \\sim C13-C12 \\sim C13-C14 \\sim C9-C14
 with sigma of 0.01
 C17-C16 \\sim C18-C17 \\sim C19-C18 \\sim C20-C19 \\sim C20-C21 \\sim C21-C16
 with sigma of 0.01
 C16-C19 \\sim C17-C20 \\sim C18-C21
 with sigma of 0.01
 F6-C28 \\sim F5-C28 \\sim F4-C28
 with sigma of 0.01
 F5-F6 \\sim F6-F4
 with sigma of 0.01
 N1-C25 \\sim N1-C26
 with sigma of 0.01
 C5A-C6A \\sim C5A-C4A \\sim C3A-C4A \\sim C3A-C2A \\sim C7A-C2A \\sim C6A-C7A
 with sigma of 0.01
 C2A-C5A \\sim C3A-C6A \\sim C4A-C7A
 with sigma of 0.01
 C5A-C3A \\sim C6A-C2A
 with sigma of 0.01
 C7A-C5A \\sim C2A-C4A
 with sigma of 0.01
 C3B-C2B \\sim C3B-C4B \\sim C4B-C5B \\sim C6B-C5B \\sim C7B-C6B \\sim C7B-C2B
 with sigma of 0.01
 C2B-C5B \\sim C3B-C6B \\sim C4B-C7B
 with sigma of 0.01
 C5B-C3B \\sim C6B-C2B
 with sigma of 0.01
 F1-C23 \\sim F2-C23 \\sim F3-C23
 with sigma of 0.01
 F1-F2 \\sim F2-F3
 with sigma of 0.01
3. Restrained planarity
 C2A, C3A, C4A, C5A, C6A, C7A
 with sigma of 0.1
 C2B, C3B, C4B, C5B, C6B, C7B
 with sigma of 0.1
4. Rigid bond restraints
 C6A, C6B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 N1, C24, C25, C26
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
C3A \\sim C3B \\sim C4A \\sim C4B: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
N1 \\sim C25 \\sim C26: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
O1 \\sim N1 \\sim C24: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C26) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C3A) \\sim Ueq, Uanis(C4A) \\sim Ueq, Uanis(C5B) \\sim Ueq, Uanis(C3B)
\\sim Ueq, Uanis(C5A) \\sim Ueq, Uanis(C7A) \\sim Ueq, Uanis(C2A) \\sim Ueq,
Uanis(C7B) \\sim Ueq, Uanis(C6A) \\sim Ueq, Uanis(C4B) \\sim Ueq, Uanis(C6B)
\\sim Ueq, Uanis(C2B) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C24) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C2A) = Uanis(C2B)
Uanis(C6B) = Uanis(C5B)
Uanis(C4B) = Uanis(C5A)
6. Others
 Fixed Sof: S4(0.33333) F4(0.5) F5(0.5) F6(0.5) H1AA(0.5) H1AB(0.5) H1BC(0.5)
 H1BD(0.5) C2A(0.5) C2B(0.5) C3A(0.5) H3A(0.5) C3B(0.5) H3B(0.5) C4A(0.5)
 H4A(0.5) C4B(0.5) H4B(0.5) C5A(0.5) H5A(0.5) C5B(0.5) H5B(0.5) C6A(0.5)
 H6A(0.5) C6B(0.5) H6B(0.5) C7A(0.5) H7A(0.5) C7B(0.5) H7B(0.5)
7.a Riding coordinates:
 C25(H25A,H25B,H25C)
7.b Secondary CH2 refined with riding coordinates:
 C1(H1AA,H1AB), C1(H1BC,H1BD), C8(H8A,H8B), C15(H15A,H15B)
7.c Aromatic/amide H refined with riding coordinates:
 C3A(H3A), C3B(H3B), C4A(H4A), C4B(H4B), C5A(H5A), C5B(H5B), C6A(H6A),
 C6B(H6B), C7A(H7A), C7B(H7B), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
  C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24)
7.d Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.333333 0.666667 0.416667 0.0409(3) Uani 1 6 d S T P . .
Ag2 Ag 0.30305(3) 0.60284(3) 0.36005(2) 0.0513(2) Uani 1 1 d . . . . .
Ag3 Ag 0.38319(2) 0.77100(2) 0.40178(2) 0.0502(2) Uani 1 1 d . . . . .
Ag4 Ag 0.48796(3) 0.79836(3) 0.37911(2) 0.0607(2) Uani 1 1 d . . . . .
Ag5 Ag 0.50060(4) 0.666667 0.416667 0.0699(3) Uani 1 2 d S T P . .
Ag6 Ag 0.46365(4) 0.65582(4) 0.34321(3) 0.0800(3) Uani 1 1 d . . . . .
Ag7 Ag 0.38870(4) 0.62774(5) 0.28768(5) 0.1187(5) Uani 1 1 d . . . . .
S1 S 0.43659(10) 0.83211(9) 0.35385(7) 0.0633(6) Uani 1 1 d . . . . .
S2 S 0.51569(9) 0.73481(11) 0.37737(7) 0.0637(6) Uani 1 1 d . . . . .
S3 S 0.29849(11) 0.57867(11) 0.29887(7) 0.0642(6) Uani 1 1 d . . . . .
S4 S 0.3609(5) 0.6677(5) 0.2507(2) 0.092(3) Uani 0.3333 1 d . . . . .
F1 F 0.5630(5) 0.6264(6) 0.2566(3) 0.173(5) Uani 1 1 d D U . . .
F2 F 0.5475(5) 0.6658(6) 0.2248(3) 0.181(6) Uani 1 1 d D . . . .
F3 F 0.5038(5) 0.5920(5) 0.2226(4) 0.179(6) Uani 1 1 d D U . . .
F4 F 0.6571(7) 0.9524(8) 0.4009(8) 0.135(8) Uani 0.5 1 d D U . A -1
F5 F 0.6303(12) 0.9713(9) 0.4478(4) 0.155(10) Uani 0.5 1 d D U . A -1
F6 F 0.6128(8) 0.9870(6) 0.4001(7) 0.124(6) Uani 0.5 1 d D U . A -1
O1 O 0.5796(5) 0.6947(5) 0.4511(3) 0.141(4) Uani 1 1 d D U . . .
O2 O 0.5645(3) 0.8703(3) 0.3954(2) 0.086(3) Uani 1 1 d . . . . .
O3 O 0.5061(4) 0.6463(4) 0.2975(3) 0.092(3) Uani 1 1 d . . . . .
O4 O 0.4482(4) 0.6203(4) 0.2578(3) 0.104(3) Uani 1 1 d . . . . .
N1 N 0.6540(5) 0.7178(7) 0.4755(4) 0.134(4) Uani 1 1 d D U . . .
C1 C 0.4641(6) 0.8985(4) 0.3683(4) 0.091(4) Uani 1 1 d . . . . .
H1AA H 0.437587 0.907293 0.370948 0.109 Uiso 0.5 1 calc R . . B 1
H1AB H 0.481073 0.903239 0.389919 0.109 Uiso 0.5 1 calc R . . B 1
H1BC H 0.436377 0.902262 0.377343 0.109 Uiso 0.5 1 calc R . . C 2
H1BD H 0.486549 0.903206 0.387120 0.109 Uiso 0.5 1 calc R . . C 2
C2A C 0.5036(8) 0.9331(9) 0.3401(6) 0.080(5) Uani 0.5 1 d D U . D 1
C2B C 0.4917(10) 0.9397(9) 0.3453(6) 0.080(5) Uani 0.5 1 d D U . D 2
C3A C 0.5048(11) 0.9793(10) 0.3371(7) 0.156(9) Uani 0.5 1 d D U . D 1
H3A H 0.481040 0.984564 0.348608 0.187 Uiso 0.5 1 calc R . . D 1
C3B C 0.5312(12) 0.9822(12) 0.3588(7) 0.156(9) Uani 0.5 1 d D U . D 2
H3B H 0.535887 0.984926 0.382181 0.187 Uiso 0.5 1 calc R . . D 2
C4A C 0.5415(13) 1.0177(10) 0.3170(9) 0.157(9) Uani 0.5 1 d D U . D 1
H4A H 0.544963 1.049939 0.316928 0.188 Uiso 0.5 1 calc R . . D 1
C4B C 0.5639(12) 1.0207(11) 0.3384(10) 0.162(8) Uani 0.5 1 d D U . D 2
H4B H 0.588249 1.051668 0.347560 0.195 Uiso 0.5 1 calc R . . D 2
C5A C 0.5730(13) 1.0074(11) 0.2970(9) 0.162(8) Uani 0.5 1 d D U . D 1
H5A H 0.591642 1.029224 0.279388 0.195 Uiso 0.5 1 calc R . . D 1
C5B C 0.5604(15) 1.0133(8) 0.3044(10) 0.22(2) Uani 0.5 1 d D U . D 2
H5B H 0.587616 1.034082 0.290367 0.270 Uiso 0.5 1 calc DR . . D 2
C6A C 0.5763(10) 0.9642(11) 0.3035(8) 0.122(11) Uani 0.5 1 d D U . D 1
H6A H 0.601402 0.959959 0.293054 0.146 Uiso 0.5 1 calc R . . D 1
C6B C 0.5168(16) 0.9753(15) 0.2911(7) 0.22(2) Uani 0.5 1 d D U . D 2
H6B H 0.510700 0.974365 0.267922 0.270 Uiso 0.5 1 calc R . . D 2
C7A C 0.5422(10) 0.9275(9) 0.3256(8) 0.114(10) Uani 0.5 1 d D U . D 1
H7A H 0.545181 0.899193 0.330677 0.137 Uiso 0.5 1 calc R . . D 1
C7B C 0.4823(11) 0.9388(11) 0.3116(7) 0.113(10) Uani 0.5 1 d D U . D 2
H7B H 0.452019 0.912979 0.302689 0.136 Uiso 0.5 1 calc R . . D 2
C8 C 0.5851(4) 0.7687(6) 0.3707(4) 0.087(4) Uani 1 1 d . . . . .
H8A H 0.601094 0.796634 0.386686 0.104 Uiso 1 1 calc R . . . .
H8B H 0.597843 0.745698 0.375053 0.104 Uiso 1 1 calc R . . . .
C9 C 0.5985(4) 0.7883(5) 0.3368(3) 0.078(3) Uani 1 1 d D . . . .
C10 C 0.6031(5) 0.7606(6) 0.3101(4) 0.112(6) Uani 1 1 d D . . . .
H10 H 0.597262 0.727959 0.314287 0.134 Uiso 1 1 calc R . . . .
C11 C 0.6161(6) 0.7802(7) 0.2771(4) 0.125(7) Uani 1 1 d D . . . .
H11 H 0.620370 0.761184 0.260360 0.150 Uiso 1 1 calc R . . . .
C12 C 0.6228(6) 0.8281(6) 0.2691(4) 0.118(6) Uani 1 1 d D . . . .
H12 H 0.629584 0.840353 0.247064 0.142 Uiso 1 1 calc DR . . . .
C13 C 0.6189(6) 0.8568(7) 0.2954(3) 0.122(6) Uani 1 1 d D . . . .
H13 H 0.624854 0.889485 0.291116 0.146 Uiso 1 1 calc R . . . .
C14 C 0.6060(5) 0.8364(5) 0.3282(4) 0.100(5) Uani 1 1 d D . . . .
H14 H 0.602302 0.855697 0.345000 0.120 Uiso 1 1 calc R . . . .
C15 C 0.2749(6) 0.5125(5) 0.2878(3) 0.086(4) Uani 1 1 d . . . . .
H15A H 0.286302 0.497207 0.304617 0.103 Uiso 1 1 calc R . . . .
H15B H 0.237988 0.494468 0.288215 0.103 Uiso 1 1 calc R . . . .
C16 C 0.2920(4) 0.5065(5) 0.2541(3) 0.084(4) Uani 1 1 d D . . . .
C17 C 0.2630(6) 0.4970(7) 0.2255(3) 0.107(5) Uani 1 1 d D . . . .
H17 H 0.231433 0.494770 0.227493 0.128 Uiso 1 1 calc R . . . .
C18 C 0.2783(7) 0.4907(9) 0.1942(3) 0.146(8) Uani 1 1 d D . . . .
H18 H 0.257531 0.483005 0.175235 0.175 Uiso 1 1 calc R . . . .
C19 C 0.3259(7) 0.4962(9) 0.1921(4) 0.150(8) Uani 1 1 d D U . . .
H19 H 0.337188 0.492178 0.171035 0.180 Uiso 1 1 calc R . . . .
C20 C 0.3575(6) 0.5074(8) 0.2193(4) 0.153(9) Uani 1 1 d D . . . .
H20 H 0.390039 0.512096 0.216981 0.183 Uiso 1 1 calc DR . . . .
C21 C 0.3390(5) 0.5113(6) 0.2501(4) 0.111(5) Uani 1 1 d D . . . .
H21 H 0.359265 0.517447 0.269109 0.134 Uiso 1 1 calc R . . . .
C22 C 0.4883(5) 0.6316(6) 0.2688(4) 0.084(4) Uani 1 1 d . . . . .
C23 C 0.5256(5) 0.6275(5) 0.2438(3) 0.113(6) Uani 1 1 d D . . . .
C24 C 0.6072(9) 0.7008(9) 0.4706(4) 0.148(4) Uani 1 1 d . U . . .
H24 H 0.590193 0.689382 0.491100 0.178 Uiso 1 1 calc DR . . . .
C25 C 0.6739(10) 0.7311(11) 0.5092(4) 0.203(10) Uani 1 1 d D U . . .
H25A H 0.665565 0.754706 0.519415 0.304 Uiso 1 1 d R . . . .
H25B H 0.710065 0.744876 0.509975 0.304 Uiso 1 1 d DR . . . .
H25C H 0.657365 0.699526 0.521365 0.304 Uiso 1 1 d R . . . .
C26 C 0.6944(9) 0.7342(10) 0.4515(6) 0.196(8) Uani 1 1 d D U . . .
H26A H 0.726042 0.746427 0.463227 0.295 Uiso 1 1 calc DGR . . . .
H26B H 0.695699 0.761109 0.437917 0.295 Uiso 1 1 calc DGR . . . .
H26C H 0.688439 0.706253 0.437175 0.295 Uiso 1 1 calc GR . . . .
C27 C 0.5685(5) 0.9018(5) 0.416667 0.077(5) Uani 1 2 d S T P A .
C28 C 0.6187(7) 0.9521(7) 0.416667 0.106(7) Uani 1 2 d DS T P . .


_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 2.7961(6) 11_565 ?
Ag1 Ag2 2.7960(6) 12 ?
Ag1 Ag2 2.7961(6) 10_455 ?
Ag1 Ag2 2.7962(6) 3_565 ?
Ag1 Ag2 2.7961(6) . ?
Ag1 Ag2 2.7962(6) 2_665 ?
Ag1 Ag3 2.8070(6) 2_665 ?
Ag1 Ag3 2.8071(6) . ?
Ag1 Ag3 2.8072(6) 11_565 ?
Ag1 Ag3 2.8072(6) 10_455 ?
Ag1 Ag3 2.8072(6) 12 ?
Ag1 Ag3 2.8072(6) 3_565 ?
Ag2 Ag2 2.9089(12) 2_665 ?
Ag2 Ag2 2.9090(11) 3_565 ?
Ag2 Ag3 3.0202(9) 11_565 ?
Ag2 Ag3 2.9139(9) 2_665 ?
Ag2 Ag3 2.9031(9) 3_565 ?
Ag2 Ag4 2.9726(10) 3_565 ?
Ag2 Ag6 3.0098(11) 3_565 ?
Ag2 S3 2.508(3) . ?
Ag3 Ag3 3.0972(13) 10_455 ?
Ag3 Ag3 2.8743(13) 12 ?
Ag3 Ag4 2.9950(10) . ?
Ag3 Ag4 3.0002(10) 10_455 ?
Ag3 Ag5 3.0311(12) 2_665 ?
Ag3 Ag6 3.0542(11) 2_665 ?
Ag3 S1 2.578(3) . ?
Ag4 Ag4 3.2014(15) 10_455 ?
Ag4 S1 2.465(3) . ?
Ag4 S2 2.463(3) . ?
Ag4 O2 2.346(8) . ?
Ag5 Ag6 3.0678(11) 11_565 ?
Ag5 Ag6 3.0676(11) . ?
Ag5 S2 2.440(3) 11_565 ?
Ag5 S2 2.440(3) . ?
Ag5 O1 2.507(11) . ?
Ag5 O1 2.507(11) 11_565 ?
Ag6 Ag7 2.9623(19) . ?
Ag6 S1 2.555(3) 3_565 ?
Ag6 S2 2.506(3) . ?
Ag6 O3 2.317(9) . ?
Ag7 S3 2.495(3) 2_665 ?
Ag7 S3 2.416(3) . ?
Ag7 S4 2.312(10) . ?
Ag7 O4 2.264(10) . ?
S1 C1 1.847(12) . ?
S2 C8 1.843(11) . ?
S3 C15 1.817(13) . ?
S4 S4 1.424(18) 3_565 ?
S4 S4 1.425(18) 2_665 ?
F1 C23 1.258(10) . ?
F2 C23 1.261(10) . ?
F3 C23 1.260(10) . ?
F4 C28 1.317(14) . ?
F5 C28 1.330(14) . ?
F6 C28 1.331(14) . ?
O1 C24 1.082(15) . ?
O2 C27 1.234(10) . ?
O3 C22 1.240(16) . ?
O4 C22 1.169(16) . ?
N1 C24 1.26(2) . ?
N1 C25 1.433(9) . ?
N1 C26 1.429(12) . ?
C1 H1AA 0.9700 . ?
C1 H1AB 0.9700 . ?
C1 H1BC 0.9700 . ?
C1 H1BD 0.9700 . ?
C1 C2A 1.59(3) . ?
C1 C2B 1.43(3) . ?
C2A C3A 1.390(12) . ?
C2A C7A 1.391(9) . ?
C2B C3B 1.359(17) . ?
C2B C7B 1.355(17) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.391(12) . ?
C3B H3B 0.9300 . ?
C3B C4B 1.358(18) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.393(12) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.358(18) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.389(12) . ?
C5B H5B 0.9300 . ?
C5B C6B 1.353(17) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.386(12) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.352(17) . ?
C7A H7A 0.9300 . ?
C7B H7B 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.440(18) . ?
C9 C10 1.399(9) . ?
C9 C14 1.402(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.402(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.399(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.397(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.404(9) . ?
C14 H14 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.470(16) . ?
C16 C17 1.371(9) . ?
C16 C21 1.370(9) . ?
C17 H17 0.9300 . ?
C17 C18 1.370(9) . ?
C18 H18 0.9300 . ?
C18 C19 1.369(9) . ?
C19 H19 0.9300 . ?
C19 C20 1.366(10) . ?
C20 H20 0.9300 . ?
C20 C21 1.369(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.552(19) . ?
C24 H24 0.9300 . ?
C25 H25A 0.9603 . ?
C25 H25B 0.9597 . ?
C25 H25C 0.9597 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.53(3) . ?

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 Ag2 62.69(2) 11_565 10_455 ?
Ag2 Ag1 Ag2 62.69(2) . 3_565 ?
Ag2 Ag1 Ag2 62.69(2) . 2_665 ?
Ag2 Ag1 Ag2 177.97(3) 12 3_565 ?
Ag2 Ag1 Ag2 177.97(3) 10_455 2_665 ?
Ag2 Ag1 Ag2 118.53(3) 12 2_665 ?
Ag2 Ag1 Ag2 177.97(3) 11_565 . ?
Ag2 Ag1 Ag2 62.69(2) 11_565 12 ?
Ag2 Ag1 Ag2 118.52(3) 10_455 . ?
Ag2 Ag1 Ag2 116.15(3) 11_565 2_665 ?
Ag2 Ag1 Ag2 116.15(3) 12 . ?
Ag2 Ag1 Ag2 62.69(2) 10_455 12 ?
Ag2 Ag1 Ag2 118.52(3) 11_565 3_565 ?
Ag2 Ag1 Ag2 116.15(3) 10_455 3_565 ?
Ag2 Ag1 Ag2 62.69(2) 3_565 2_665 ?
Ag2 Ag1 Ag3 62.67(2) 3_565 . ?
Ag2 Ag1 Ag3 62.410(19) . 3_565 ?
Ag2 Ag1 Ag3 115.639(19) 10_455 . ?
Ag2 Ag1 Ag3 114.83(2) 11_565 11_565 ?
Ag2 Ag1 Ag3 115.642(19) 2_665 12 ?
Ag2 Ag1 Ag3 62.410(19) 12 11_565 ?
Ag2 Ag1 Ag3 115.645(19) 11_565 3_565 ?
Ag2 Ag1 Ag3 115.642(19) 3_565 11_565 ?
Ag2 Ag1 Ag3 62.67(2) 2_665 3_565 ?
Ag2 Ag1 Ag3 62.411(19) 11_565 10_455 ?
Ag2 Ag1 Ag3 62.67(2) 12 10_455 ?
Ag2 Ag1 Ag3 115.641(19) . 10_455 ?
Ag2 Ag1 Ag3 119.25(2) 3_565 10_455 ?
Ag2 Ag1 Ag3 65.23(2) 2_665 10_455 ?
Ag2 Ag1 Ag3 119.252(19) 10_455 3_565 ?
Ag2 Ag1 Ag3 119.249(19) 11_565 2_665 ?
Ag2 Ag1 Ag3 114.83(2) . . ?
Ag2 Ag1 Ag3 65.23(2) 10_455 2_665 ?
Ag2 Ag1 Ag3 65.23(2) 12 3_565 ?
Ag2 Ag1 Ag3 115.641(19) 12 2_665 ?
Ag2 Ag1 Ag3 65.23(2) 11_565 . ?
Ag2 Ag1 Ag3 62.67(2) . 2_665 ?
Ag2 Ag1 Ag3 62.412(19) 2_665 . ?
Ag2 Ag1 Ag3 62.411(19) 3_565 2_665 ?
Ag2 Ag1 Ag3 65.23(2) 3_565 12 ?
Ag2 Ag1 Ag3 114.83(2) 2_665 2_665 ?
Ag2 Ag1 Ag3 62.67(2) 10_455 11_565 ?
Ag2 Ag1 Ag3 62.67(2) 11_565 12 ?
Ag2 Ag1 Ag3 119.25(2) 12 . ?
Ag2 Ag1 Ag3 62.407(19) 10_455 12 ?
Ag2 Ag1 Ag3 65.23(2) . 11_565 ?
Ag2 Ag1 Ag3 114.82(2) 12 12 ?
Ag2 Ag1 Ag3 114.83(2) 3_565 3_565 ?
Ag2 Ag1 Ag3 114.83(2) 10_455 10_455 ?
Ag2 Ag1 Ag3 119.251(19) 2_665 11_565 ?
Ag2 Ag1 Ag3 119.25(2) . 12 ?
Ag3 Ag1 Ag3 177.14(3) 2_665 10_455 ?
Ag3 Ag1 Ag3 115.732(10) 2_665 3_565 ?
Ag3 Ag1 Ag3 115.736(10) 2_665 . ?
Ag3 Ag1 Ag3 61.59(3) 2_665 11_565 ?
Ag3 Ag1 Ag3 66.96(3) 11_565 3_565 ?
Ag3 Ag1 Ag3 61.59(3) 10_455 3_565 ?
Ag3 Ag1 Ag3 115.733(10) 11_565 10_455 ?
Ag3 Ag1 Ag3 115.733(10) 12 10_455 ?
Ag3 Ag1 Ag3 177.14(3) . 11_565 ?
Ag3 Ag1 Ag3 115.736(10) . 3_565 ?
Ag3 Ag1 Ag3 66.96(3) 2_665 12 ?
Ag3 Ag1 Ag3 66.96(3) . 10_455 ?
Ag3 Ag1 Ag3 177.14(3) 12 3_565 ?
Ag3 Ag1 Ag3 61.59(3) 12 . ?
Ag3 Ag1 Ag3 115.733(10) 12 11_565 ?
Ag1 Ag2 Ag2 58.659(11) . 2_665 ?
Ag1 Ag2 Ag2 58.659(11) . 3_565 ?
Ag1 Ag2 Ag3 58.849(18) . 2_665 ?
Ag1 Ag2 Ag3 58.984(18) . 3_565 ?
Ag1 Ag2 Ag3 57.562(17) . 11_565 ?
Ag1 Ag2 Ag4 106.82(3) . 3_565 ?
Ag1 Ag2 Ag6 120.77(3) . 3_565 ?
Ag2 Ag2 Ag2 60.0 2_665 3_565 ?
Ag2 Ag2 Ag3 59.81(3) 3_565 2_665 ?
Ag2 Ag2 Ag3 106.22(2) 3_565 11_565 ?
Ag2 Ag2 Ag3 109.230(19) 2_665 11_565 ?
Ag2 Ag2 Ag3 108.35(2) 2_665 2_665 ?
Ag2 Ag2 Ag4 116.85(4) 2_665 3_565 ?
Ag2 Ag2 Ag4 165.176(19) 3_565 3_565 ?
Ag2 Ag2 Ag6 152.01(3) 2_665 3_565 ?
Ag2 Ag2 Ag6 94.75(4) 3_565 3_565 ?
Ag3 Ag2 Ag2 60.19(3) 3_565 2_665 ?
Ag3 Ag2 Ag2 108.65(2) 3_565 3_565 ?
Ag3 Ag2 Ag3 57.91(3) 2_665 11_565 ?
Ag3 Ag2 Ag3 63.02(3) 3_565 11_565 ?
Ag3 Ag2 Ag3 109.63(3) 3_565 2_665 ?
Ag3 Ag2 Ag4 111.52(3) 2_665 3_565 ?
Ag3 Ag2 Ag4 61.28(2) 3_565 3_565 ?
Ag3 Ag2 Ag6 62.05(3) 2_665 3_565 ?
Ag3 Ag2 Ag6 146.74(3) 3_565 3_565 ?
Ag4 Ag2 Ag3 60.08(2) 3_565 11_565 ?
Ag4 Ag2 Ag6 90.65(3) 3_565 3_565 ?
Ag6 Ag2 Ag3 88.31(3) 3_565 11_565 ?
S3 Ag2 Ag1 157.48(7) . . ?
S3 Ag2 Ag2 105.27(7) . 3_565 ?
S3 Ag2 Ag2 100.36(7) . 2_665 ?
S3 Ag2 Ag3 120.30(7) . 3_565 ?
S3 Ag2 Ag3 144.55(7) . 11_565 ?
S3 Ag2 Ag3 129.84(7) . 2_665 ?
S3 Ag2 Ag4 89.50(7) . 3_565 ?
S3 Ag2 Ag6 73.22(7) . 3_565 ?
Ag1 Ag3 Ag2 57.211(17) . 11_565 ?
Ag1 Ag3 Ag2 58.481(18) . 3_565 ?
Ag1 Ag3 Ag2 58.610(18) . 2_665 ?
Ag1 Ag3 Ag3 59.207(13) . 12 ?
Ag1 Ag3 Ag3 56.520(14) . 10_455 ?
Ag1 Ag3 Ag4 105.93(3) . . ?
Ag1 Ag3 Ag4 105.79(3) . 10_455 ?
Ag1 Ag3 Ag5 120.90(2) . 2_665 ?
Ag1 Ag3 Ag6 118.87(3) . 2_665 ?
Ag2 Ag3 Ag2 106.50(3) 2_665 11_565 ?
Ag2 Ag3 Ag2 108.18(3) 3_565 11_565 ?
Ag2 Ag3 Ag2 60.01(3) 2_665 3_565 ?
Ag2 Ag3 Ag3 56.65(2) 11_565 10_455 ?
Ag2 Ag3 Ag3 60.34(2) 2_665 10_455 ?
Ag2 Ag3 Ag3 107.03(2) 3_565 10_455 ?
Ag2 Ag3 Ag4 112.22(3) 2_665 10_455 ?
Ag2 Ag3 Ag4 115.98(3) 3_565 . ?
Ag2 Ag3 Ag4 164.22(3) 3_565 10_455 ?
Ag2 Ag3 Ag4 60.50(2) 2_665 . ?
Ag2 Ag3 Ag5 94.63(2) 3_565 2_665 ?
Ag2 Ag3 Ag5 92.49(2) 11_565 2_665 ?
Ag2 Ag3 Ag5 151.78(3) 2_665 2_665 ?
Ag2 Ag3 Ag6 93.93(3) 2_665 2_665 ?
Ag2 Ag3 Ag6 147.38(3) 11_565 2_665 ?
Ag2 Ag3 Ag6 60.51(3) 3_565 2_665 ?
Ag3 Ag3 Ag2 110.35(2) 12 2_665 ?
Ag3 Ag3 Ag2 59.19(3) 12 11_565 ?
Ag3 Ag3 Ag2 62.90(3) 12 3_565 ?
Ag3 Ag3 Ag3 105.47(3) 12 10_455 ?
Ag3 Ag3 Ag4 164.09(2) 12 . ?
Ag3 Ag3 Ag4 111.85(4) 12 10_455 ?
Ag3 Ag3 Ag5 61.695(16) 12 2_665 ?
Ag3 Ag3 Ag6 90.18(3) 12 2_665 ?
Ag4 Ag3 Ag2 109.12(3) . 11_565 ?
Ag4 Ag3 Ag2 59.18(2) 10_455 11_565 ?
Ag4 Ag3 Ag3 58.98(2) . 10_455 ?
Ag4 Ag3 Ag3 58.81(2) 10_455 10_455 ?
Ag4 Ag3 Ag4 64.55(3) . 10_455 ?
Ag4 Ag3 Ag5 95.33(2) 10_455 2_665 ?
Ag4 Ag3 Ag5 132.79(3) . 2_665 ?
Ag4 Ag3 Ag6 135.27(3) 10_455 2_665 ?
Ag4 Ag3 Ag6 103.00(3) . 2_665 ?
Ag5 Ag3 Ag3 146.29(4) 2_665 10_455 ?
Ag5 Ag3 Ag6 60.55(2) 2_665 2_665 ?
Ag6 Ag3 Ag3 153.09(4) 2_665 10_455 ?
S1 Ag3 Ag1 139.16(7) . . ?
S1 Ag3 Ag2 81.04(6) . 2_665 ?
S1 Ag3 Ag2 153.58(7) . 11_565 ?
S1 Ag3 Ag2 97.57(7) . 3_565 ?
S1 Ag3 Ag3 110.58(7) . 10_455 ?
S1 Ag3 Ag3 142.89(7) . 12 ?
S1 Ag3 Ag4 94.43(7) . 10_455 ?
S1 Ag3 Ag4 51.85(7) . . ?
S1 Ag3 Ag5 91.21(6) . 2_665 ?
S1 Ag3 Ag6 53.14(7) . 2_665 ?
Ag2 Ag4 Ag3 58.22(2) 2_665 . ?
Ag2 Ag4 Ag3 60.75(2) 2_665 10_455 ?
Ag2 Ag4 Ag4 105.021(19) 2_665 10_455 ?
Ag3 Ag4 Ag3 62.21(3) . 10_455 ?
Ag3 Ag4 Ag4 57.80(2) . 10_455 ?
Ag3 Ag4 Ag4 57.65(2) 10_455 10_455 ?
S1 Ag4 Ag2 81.48(6) . 2_665 ?
S1 Ag4 Ag3 55.32(6) . . ?
S1 Ag4 Ag3 117.25(7) . 10_455 ?
S1 Ag4 Ag4 91.87(7) . 10_455 ?
S2 Ag4 Ag2 73.52(7) . 2_665 ?
S2 Ag4 Ag3 121.54(7) . . ?
S2 Ag4 Ag3 66.55(7) . 10_455 ?
S2 Ag4 Ag4 113.16(8) . 10_455 ?
S2 Ag4 S1 148.21(10) . . ?
O2 Ag4 Ag2 173.2(2) . 2_665 ?
O2 Ag4 Ag3 116.0(2) . 10_455 ?
O2 Ag4 Ag3 126.6(2) . . ?
O2 Ag4 Ag4 76.5(2) . 10_455 ?
O2 Ag4 S1 105.2(3) . . ?
O2 Ag4 S2 99.8(2) . . ?
Ag3 Ag5 Ag3 56.61(3) 10_455 3_565 ?
Ag3 Ag5 Ag6 60.10(3) 3_565 . ?
Ag3 Ag5 Ag6 87.06(3) 3_565 11_565 ?
Ag3 Ag5 Ag6 60.10(3) 10_455 11_565 ?
Ag3 Ag5 Ag6 87.07(3) 10_455 . ?
Ag6 Ag5 Ag6 143.62(5) 11_565 . ?
S2 Ag5 Ag3 66.26(6) . 10_455 ?
S2 Ag5 Ag3 89.22(7) . 3_565 ?
S2 Ag5 Ag3 89.21(7) 11_565 10_455 ?
S2 Ag5 Ag3 66.26(6) 11_565 3_565 ?
S2 Ag5 Ag6 52.64(7) 11_565 11_565 ?
S2 Ag5 Ag6 117.34(7) . 11_565 ?
S2 Ag5 Ag6 117.33(7) 11_565 . ?
S2 Ag5 Ag6 52.65(7) . . ?
S2 Ag5 S2 152.65(12) 11_565 . ?
S2 Ag5 O1 93.3(3) . 11_565 ?
S2 Ag5 O1 108.4(3) 11_565 11_565 ?
S2 Ag5 O1 93.3(3) 11_565 . ?
S2 Ag5 O1 108.4(3) . . ?
O1 Ag5 Ag3 117.4(3) 11_565 3_565 ?
O1 Ag5 Ag3 157.7(3) 11_565 10_455 ?
O1 Ag5 Ag3 157.7(3) . 3_565 ?
O1 Ag5 Ag3 117.4(3) . 10_455 ?
O1 Ag5 Ag6 72.9(3) . 11_565 ?
O1 Ag5 Ag6 141.8(3) 11_565 11_565 ?
O1 Ag5 Ag6 141.8(3) . . ?
O1 Ag5 Ag6 72.9(3) 11_565 . ?
O1 Ag5 O1 76.2(7) . 11_565 ?
Ag2 Ag6 Ag3 57.44(2) 2_665 3_565 ?
Ag2 Ag6 Ag5 91.98(3) 2_665 . ?
Ag3 Ag6 Ag5 59.36(3) 3_565 . ?
Ag7 Ag6 Ag2 72.62(4) . 2_665 ?
Ag7 Ag6 Ag3 97.29(4) . 3_565 ?
Ag7 Ag6 Ag5 156.63(5) . . ?
S1 Ag6 Ag2 95.71(6) 3_565 2_665 ?
S1 Ag6 Ag3 53.83(6) 3_565 3_565 ?
S1 Ag6 Ag5 90.82(7) 3_565 . ?
S1 Ag6 Ag7 73.85(7) 3_565 . ?
S2 Ag6 Ag2 72.28(6) . 2_665 ?
S2 Ag6 Ag3 87.50(7) . 3_565 ?
S2 Ag6 Ag5 50.70(7) . . ?
S2 Ag6 Ag7 134.42(8) . . ?
S2 Ag6 S1 137.72(10) . 3_565 ?
O3 Ag6 Ag2 140.1(3) . 2_665 ?
O3 Ag6 Ag3 154.1(3) . 3_565 ?
O3 Ag6 Ag5 123.6(3) . . ?
O3 Ag6 Ag7 77.4(3) . . ?
O3 Ag6 S1 100.8(3) . 3_565 ?
O3 Ag6 S2 114.5(3) . . ?
S3 Ag7 Ag6 74.27(8) 2_665 . ?
S3 Ag7 Ag6 120.88(10) . . ?
S3 Ag7 S3 110.57(13) . 2_665 ?
S4 Ag7 Ag6 138.3(3) . . ?
S4 Ag7 S3 80.8(3) . . ?
S4 Ag7 S3 64.5(3) . 2_665 ?
O4 Ag7 Ag6 83.0(3) . . ?
O4 Ag7 S3 108.3(3) . 2_665 ?
O4 Ag7 S3 138.6(3) . . ?
O4 Ag7 S4 104.0(4) . . ?
Ag4 S1 Ag3 72.82(7) . . ?
Ag4 S1 Ag6 141.13(11) . 2_665 ?
Ag6 S1 Ag3 73.03(7) 2_665 . ?
C1 S1 Ag3 109.7(5) . . ?
C1 S1 Ag4 107.2(5) . . ?
C1 S1 Ag6 101.4(5) . 2_665 ?
Ag4 S2 Ag6 117.78(11) . . ?
Ag5 S2 Ag4 130.86(11) . . ?
Ag5 S2 Ag6 76.65(8) . . ?
C8 S2 Ag4 108.0(5) . . ?
C8 S2 Ag5 104.0(5) . . ?
C8 S2 Ag6 117.1(5) . . ?
Ag7 S3 Ag2 96.66(10) . . ?
Ag7 S3 Ag2 89.96(9) 3_565 . ?
Ag7 S3 Ag7 123.03(14) . 3_565 ?
C15 S3 Ag2 119.3(4) . . ?
C15 S3 Ag7 115.6(5) . 3_565 ?
C15 S3 Ag7 109.7(5) . . ?
S4 S4 Ag7 140.1(3) 2_665 . ?
S4 S4 Ag7 107.1(10) 3_565 . ?
S4 S4 S4 59.999(4) 3_565 2_665 ?
C24 O1 Ag5 166.1(15) . . ?
C27 O2 Ag4 125.2(8) . . ?
C22 O3 Ag6 126.1(9) . . ?
C22 O4 Ag7 122.9(10) . . ?
C24 N1 C25 119.4(18) . . ?
C24 N1 C26 129.3(18) . . ?
C26 N1 C25 110.5(13) . . ?
S1 C1 H1AA 110.4 . . ?
S1 C1 H1AB 110.4 . . ?
S1 C1 H1BC 107.3 . . ?
S1 C1 H1BD 107.3 . . ?
H1AA C1 H1AB 108.6 . . ?
H1BC C1 H1BD 106.9 . . ?
C2A C1 S1 106.5(12) . . ?
C2A C1 H1AA 110.4 . . ?
C2A C1 H1AB 110.4 . . ?
C2B C1 S1 120.3(14) . . ?
C2B C1 H1BC 107.3 . . ?
C2B C1 H1BD 107.3 . . ?
C3A C2A C1 110.8(16) . . ?
C3A C2A C7A 119.5(5) . . ?
C7A C2A C1 127.7(16) . . ?
C3B C2B C1 116(2) . . ?
C7B C2B C1 126(2) . . ?
C7B C2B C3B 118.8(6) . . ?
C2A C3A H3A 120.0 . . ?
C2A C3A C4A 120.0(4) . . ?
C4A C3A H3A 120.0 . . ?
C2B C3B H3B 119.9 . . ?
C4B C3B C2B 120.2(4) . . ?
C4B C3B H3B 119.9 . . ?
C3A C4A H4A 120.4 . . ?
C3A C4A C5A 119.3(5) . . ?
C5A C4A H4A 120.4 . . ?
C3B C4B H4B 120.6 . . ?
C3B C4B C5B 118.8(6) . . ?
C5B C4B H4B 120.6 . . ?
C4A C5A H5A 120.4 . . ?
C6A C5A C4A 119.3(6) . . ?
C6A C5A H5A 120.4 . . ?
C4B C5B H5B 120.4 . . ?
C6B C5B C4B 119.2(8) . . ?
C6B C5B H5B 120.4 . . ?
C5A C6A H6A 120.0 . . ?
C7A C6A C5A 119.9(4) . . ?
C7A C6A H6A 120.0 . . ?
C5B C6B H6B 120.2 . . ?
C7B C6B C5B 119.5(5) . . ?
C7B C6B H6B 120.2 . . ?
C2A C7A H7A 120.1 . . ?
C6A C7A C2A 119.8(5) . . ?
C6A C7A H7A 120.1 . . ?
C2B C7B H7B 119.9 . . ?
C6B C7B C2B 120.2(6) . . ?
C6B C7B H7B 119.9 . . ?
S2 C8 H8A 109.3 . . ?
S2 C8 H8B 109.3 . . ?
H8A C8 H8B 107.9 . . ?
C9 C8 S2 111.8(9) . . ?
C9 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
C10 C9 C8 123.0(13) . . ?
C10 C9 C14 115.5(13) . . ?
C14 C9 C8 121.4(11) . . ?
C9 C10 H10 118.9 . . ?
C9 C10 C11 122.3(15) . . ?
C11 C10 H10 118.9 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 121.0(15) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 121.0 . . ?
C13 C12 C11 117.9(16) . . ?
C13 C12 H12 121.0 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 119.9(16) . . ?
C14 C13 H13 120.0 . . ?
C9 C14 C13 123.2(15) . . ?
C9 C14 H14 118.4 . . ?
C13 C14 H14 118.4 . . ?
S3 C15 H15A 109.0 . . ?
S3 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C16 C15 S3 112.8(9) . . ?
C16 C15 H15A 109.0 . . ?
C16 C15 H15B 109.0 . . ?
C17 C16 C15 122.7(12) . . ?
C21 C16 C15 120.5(12) . . ?
C21 C16 C17 116.8(12) . . ?
C16 C17 H17 118.4 . . ?
C18 C17 C16 123.1(12) . . ?
C18 C17 H17 118.4 . . ?
C17 C18 H18 121.7 . . ?
C19 C18 C17 116.7(12) . . ?
C19 C18 H18 121.7 . . ?
C18 C19 H19 118.3 . . ?
C20 C19 C18 123.4(12) . . ?
C20 C19 H19 118.3 . . ?
C19 C20 H20 121.6 . . ?
C19 C20 C21 116.9(12) . . ?
C21 C20 H20 121.6 . . ?
C16 C21 H21 118.5 . . ?
C20 C21 C16 123.1(12) . . ?
C20 C21 H21 118.5 . . ?
O3 C22 C23 114.0(11) . . ?
O4 C22 O3 130.2(13) . . ?
O4 C22 C23 115.8(13) . . ?
F1 C23 F2 101.3(12) . . ?
F1 C23 F3 110.0(15) . . ?
F1 C23 C22 116.8(11) . . ?
F2 C23 C22 111.9(12) . . ?
F3 C23 F2 101.5(11) . . ?
F3 C23 C22 113.5(12) . . ?
O1 C24 N1 143.0(19) . . ?
O1 C24 H24 108.5 . . ?
N1 C24 H24 108.5 . . ?
N1 C25 H25A 111.6 . . ?
N1 C25 H25B 112.4 . . ?
N1 C25 H25C 104.2 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N1 C26 H26A 109.5 . . ?
N1 C26 H26B 109.5 . . ?
N1 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O2 C27 O2 128.1(15) 10_455 . ?
O2 C27 C28 116.0(7) 10_455 . ?
O2 C27 C28 116.0(7) . . ?
F4 C28 F5 113(2) . . ?
F4 C28 F6 103.6(13) . . ?
F4 C28 C27 116.5(14) . . ?
F5 C28 F6 102.3(13) . . ?
F5 C28 C27 110.5(15) . . ?
F6 C28 C27 109.3(13) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.209
_oxdiff_exptl_absorpt_empirical_full_min 0.498
# start Validation Reply Form
_vrf_PLAT342_ag34                
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02231 Ang.
RESPONSE: This alert is generated because there is a large amount of disorder
in the structure.
;
####################################################################### 
# 
# 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_ag33au
_database_code_depnum_ccdc_archive 'CCDC 1868082'
_audit_update_record             
;
2018-09-17 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_vrf_PLAT342_ag33au              
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02231 Ang.
RESPONSE: This alert is generated because there is a large amount of disorder
in the structure.
;
# end Validation Reply Form
_audit_creation_date             2018-09-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C162 H168 Ag33 Au1 F27 N6 O24 S20'
_chemical_formula_sum            'C162 H168 Ag33 Au F27 N6 O24 S20'
_chemical_formula_weight         7493.89
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H Ag Au F N O S'
_chemical_oxdiff_usercomment     'C H Ag Au F N O S'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Au Au -4.4197 7.2980 '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           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'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'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'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'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-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'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   30.3706(5)
_cell_length_b                   30.3706(5)
_cell_length_c                   39.4126(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     31482.8(12)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    7332
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      71.7110
_cell_measurement_theta_min      2.8050
_shelx_estimated_absorpt_T_max   0.112
_shelx_estimated_absorpt_T_min   0.095
_exptl_absorpt_coefficient_mu    27.889
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43439
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.372
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             21402
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            31150
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.291
_diffrn_reflns_theta_min         2.802
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -29.00  -1.00   0.50    2.50    --    0.00  38.00   0.00   56
  2  ω     33.00  84.00   0.50    2.50    --    0.00  38.00   0.00  102
  3  ω     16.00  45.00   0.50   11.00    --   97.60 -61.00 -60.00   58
  4  ω     87.00 180.00   0.50   11.00    --   97.60  45.00   0.00  186
  5  ω     95.00 184.00   0.50   11.00    --   97.60  45.00 -30.00  178
  6  ω     66.00  95.00   0.50   11.00    --   97.60 -61.00 -60.00   58
  7  ω      9.00 127.00   0.50   11.00    --   97.60 -61.00  30.00  236
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0542727000
_diffrn_orient_matrix_UB_12      -0.0219695000
_diffrn_orient_matrix_UB_13      0.0141107000
_diffrn_orient_matrix_UB_21      0.0068740000
_diffrn_orient_matrix_UB_22      -0.0388844000
_diffrn_orient_matrix_UB_23      0.0209750000
_diffrn_orient_matrix_UB_31      0.0209100000
_diffrn_orient_matrix_UB_32      0.0379324000
_diffrn_orient_matrix_UB_33      0.0298200000
_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                4817
_reflns_number_total             6945
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (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    ?
_refine_diff_density_max         2.066
_refine_diff_density_min         -1.328
_refine_diff_density_rms         0.155
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     519
_refine_ls_number_reflns         6945
_refine_ls_number_restraints     312
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0536
_refine_ls_restrained_S_all      1.022
_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)+(0.0902P)²+417.4030P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1472
_refine_ls_wR_factor_ref         0.1718
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O3-C22A \\sim O3-C22B
 with sigma of 0.01
 F5-C28 \\sim F6-C28 \\sim F4-C28
 with sigma of 0.01
 F4-F6 \\sim F6-F5
 with sigma of 0.01
 C21B-C16B \\sim C21B-C20B \\sim C19B-C20B \\sim C19B-C18B \\sim C17B-C18B
\\sim C16A-C17A \\sim C17A-
 C18A \\sim C19A-C18A \\sim C20A-C19A \\sim C20A-C21A \\sim C16A-C21A
 with sigma of 0.01
 C16B-C19B \\sim C17B-C20B \\sim C18B-C21B \\sim C16A-C19A \\sim C21A-C18A
\\sim C20A-C17A
 with sigma of 0.01
 C16A-C17B \\sim C19A-C18B \\sim C20B-C21B
 with sigma of 0.01
 S1-C15A \\sim S1-C15B
 with sigma of 0.01
 C6-C5 \\sim C7-C6 \\sim C7-C2 \\sim C3-C2 \\sim C4-C3 \\sim C5-C4
 with sigma of 0.01
3. Restrained planarity
 C16B, C21B, C20B, C19B, C18B, C17B
 with sigma of 0.1
 C16A, C17A, C18A, C19A, C20A, C21A
 with sigma of 0.1
4. Rigid bond restraints
 C17B, C18B, C19B, C20B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
N1 \\sim C24A \\sim N1 \\sim C24B: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C17B \\sim C18B \\sim C19B \\sim C20B: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
S1 \\sim C15A \\sim S1 \\sim C15B: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
N1 \\sim C23A \\sim N1 \\sim C23B: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C28) \\sim Ueq, Uanis(C22B) \\sim Ueq, Uanis(C22A) \\sim Ueq, Uanis(F5)
\\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F4) \\sim Ueq, Uanis(C21B) \\sim Ueq,
Uanis(F2) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C17A) \\sim Ueq, Uanis(C16B)
\\sim Ueq, Uanis(C19A) \\sim Ueq, Uanis(C21A) \\sim Ueq, Uanis(C17B) \\sim Ueq,
Uanis(C18B) \\sim Ueq, Uanis(C20A) \\sim Ueq, Uanis(C18A) \\sim Ueq,
Uanis(C19B) \\sim Ueq, Uanis(C16A) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(O3)
\\sim Ueq, Uanis(Ag3) \\sim Ueq, Uanis(Ag5) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C19A) = Uanis(C17A)
6. Others
 Fixed Sof: C15A(0.5) H15A(0.5) H15B(0.5) C16A(0.5) C17A(0.5) H17A(0.5)
 C18A(0.5) H18A(0.5) C19A(0.5) H19A(0.5) C20A(0.5) H20A(0.5) C21A(0.5)
 H21A(0.5) C15B(0.5) H15C(0.5) H15D(0.5) C16B(0.5) C17B(0.5) H17B(0.5)
 C18B(0.5) H18B(0.5) C19B(0.5) H19B(0.5) C20B(0.5) H20B(0.5) C21B(0.5)
 H21B(0.5) C22A(0.5) H22A(0.5) C22B(0.5) H22B(0.5) C23A(0.5) H23A(0.5)
 H23B(0.5) H23C(0.5) C24A(0.5) H24A(0.5) H24B(0.5) H24C(0.5) C23B(0.5)
 H23D(0.5) H23E(0.5) H23F(0.5) C24B(0.5) H24D(0.5) H24E(0.5) H24F(0.5) F4(0.5)
 F5(0.5) F6(0.5) S4(0.33333)
7.a Riding coordinates:
 C23B(H23D,H23E,H23F)
7.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C8(H8A,H8B), C15A(H15A,H15B), C15B(H15C,H15D)
7.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C17A(H17A), C18A(H18A), C19A(H19A), C20A(H20A), C21A(H21A),
  C17B(H17B), C18B(H18B), C19B(H19B), C20B(H20B), C21B(H21B), C22A(H22A),
 C22B(H22B)
7.d Idealised Me refined as rotating group:
 C23A(H23A,H23B,H23C), C24A(H24A,H24B,H24C), C24B(H24D,H24E,H24F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.72069(3) 0.43761(2) 0.56833(2) 0.05726(19) Uani 1 1 d . . . . .
Ag2 Ag 0.63312(3) 0.26966(3) 0.52656(2) 0.05807(19) Uani 1 1 d . . . . .
Ag3 Ag 0.57204(5) 0.29355(5) 0.45464(5) 0.1299(5) Uani 1 1 d . U . . .
Ag4 Ag 0.52543(4) 0.32239(4) 0.50978(3) 0.0885(3) Uani 1 1 d . . . . .
Ag5 Ag 0.50004(4) 0.333333 0.583333 0.0761(3) Uani 1 2 d S TU P B .
Ag6 Ag 0.64374(3) 0.46544(3) 0.54581(2) 0.0685(2) Uani 1 1 d . . . . .
Au1 Au 0.666667 0.333333 0.583333 0.0482(2) Uani 1 6 d S T P . .
C1 C 0.5707(6) 0.1784(5) 0.4546(3) 0.099(4) Uani 1 1 d . . . . .
H1A H 0.589464 0.160355 0.454752 0.119 Uiso 1 1 calc R . . . .
H1B H 0.544202 0.163184 0.471651 0.119 Uiso 1 1 calc R . . . .
C2 C 0.5471(5) 0.1726(5) 0.4212(3) 0.085(3) Uani 1 1 d D . . . .
C3 C 0.5666(7) 0.1632(7) 0.3926(3) 0.127(6) Uani 1 1 d D . . . .
H3 H 0.595912 0.160835 0.394556 0.153 Uiso 1 1 calc R . . . .
C4 C 0.5449(8) 0.1570(9) 0.3610(5) 0.158(7) Uani 1 1 d D U . . .
H4 H 0.557162 0.148524 0.341984 0.189 Uiso 1 1 calc R . . . .
C5 C 0.5040(8) 0.1644(9) 0.3597(6) 0.151(7) Uani 1 1 d D U . . .
H5 H 0.490702 0.163855 0.338383 0.182 Uiso 1 1 calc R . . . .
C6 C 0.4807(8) 0.1724(9) 0.3869(5) 0.165(10) Uani 1 1 d D . . . .
H6 H 0.451568 0.174918 0.384857 0.197 Uiso 1 1 calc R . . . .
C7 C 0.5043(6) 0.1764(6) 0.4174(5) 0.128(6) Uani 1 1 d D . . . .
H7 H 0.490256 0.182004 0.436701 0.153 Uiso 1 1 calc R . . . .
C8 C 0.5173(5) 0.4359(6) 0.5378(4) 0.092(4) Uani 1 1 d . . . . .
H8A H 0.481559 0.413148 0.542430 0.110 Uiso 1 1 calc R . . . .
H8B H 0.529709 0.464048 0.553666 0.110 Uiso 1 1 calc R . . . .
C9 C 0.5234(6) 0.4557(6) 0.5025(4) 0.096(4) Uani 1 1 d . . . . .
C10 C 0.5631(7) 0.5036(6) 0.4945(4) 0.103(4) Uani 1 1 d . . . . .
H10 H 0.585302 0.523133 0.511663 0.124 Uiso 1 1 calc R . . . .
C11 C 0.5714(7) 0.5236(8) 0.4622(4) 0.118(5) Uani 1 1 d . . . . .
H11 H 0.598963 0.555558 0.457508 0.142 Uiso 1 1 calc R . . . .
C12 C 0.5377(9) 0.4948(9) 0.4369(5) 0.127(6) Uani 1 1 d . . . . .
H12 H 0.542037 0.508068 0.415161 0.153 Uiso 1 1 calc R . . . .
C13 C 0.4985(9) 0.4474(10) 0.4434(6) 0.143(8) Uani 1 1 d . . . . .
H13 H 0.476641 0.428218 0.425969 0.172 Uiso 1 1 calc R . . . .
C14 C 0.4908(6) 0.4274(7) 0.4762(4) 0.108(5) Uani 1 1 d . . . . .
H14 H 0.463748 0.394986 0.480464 0.130 Uiso 1 1 calc R . . . .
C15A C 0.7645(13) 0.5675(5) 0.5300(7) 0.072(5) Uani 0.5 1 d D U . A 1
H15A H 0.743537 0.572466 0.546373 0.087 Uiso 0.5 1 calc R . . A 1
H15B H 0.794186 0.572492 0.542381 0.087 Uiso 0.5 1 calc R . . A 1
C16A C 0.7798(12) 0.6031(11) 0.5119(7) 0.100(10) Uani 0.5 1 d D U . A 1
C17A C 0.7883(11) 0.6495(11) 0.5218(8) 0.161(11) Uani 0.5 1 d D U . A 1
H17A H 0.786060 0.652227 0.545171 0.193 Uiso 0.5 1 calc R . . A 1
C18A C 0.7993(13) 0.6929(11) 0.5049(8) 0.145(13) Uani 0.5 1 d D U . A 1
H18A H 0.804971 0.723326 0.514356 0.174 Uiso 0.5 1 calc R . . A 1
C19A C 0.8005(16) 0.6828(12) 0.4714(7) 0.161(11) Uani 0.5 1 d D U . A 1
H19A H 0.807266 0.710179 0.457397 0.193 Uiso 0.5 1 calc R . . A 1
C20A C 0.7939(15) 0.6412(12) 0.4539(7) 0.139(13) Uani 0.5 1 d D U . A 1
H20A H 0.793932 0.637626 0.430418 0.167 Uiso 0.5 1 calc R . . A 1
C21A C 0.7872(13) 0.6059(10) 0.4776(6) 0.114(9) Uani 0.5 1 d D U . A 1
H21A H 0.787792 0.577912 0.468685 0.137 Uiso 0.5 1 calc R . . A 1
C15B C 0.7680(14) 0.5622(6) 0.5399(7) 0.074(5) Uani 0.5 1 d D U . A 2
H15C H 0.803004 0.570622 0.543250 0.089 Uiso 0.5 1 calc R . . A 2
H15D H 0.753853 0.565628 0.561152 0.089 Uiso 0.5 1 calc R . . A 2
C16B C 0.7613(11) 0.5996(11) 0.5052(7) 0.093(9) Uani 0.5 1 d D U . A 2
C17B C 0.8059(14) 0.6383(17) 0.4964(12) 0.218(14) Uani 0.5 1 d D U . A 2
H17B H 0.835769 0.639652 0.503627 0.261 Uiso 0.5 1 calc R . . A 2
C18B C 0.8080(13) 0.6762(16) 0.4768(12) 0.219(14) Uani 0.5 1 d D U . A 2
H18B H 0.837898 0.707385 0.475231 0.263 Uiso 0.5 1 calc R . . A 2
C19B C 0.7656(17) 0.6677(17) 0.4594(11) 0.215(14) Uani 0.5 1 d D U . A 2
H19B H 0.767980 0.687456 0.440704 0.258 Uiso 0.5 1 calc R . . A 2
C20B C 0.7197(17) 0.6296(14) 0.4702(9) 0.207(14) Uani 0.5 1 d D U . A 2
H20B H 0.689945 0.627738 0.462367 0.248 Uiso 0.5 1 calc R . . A 2
C21B C 0.7175(11) 0.5943(11) 0.4923(7) 0.113(9) Uani 0.5 1 d D U . A 2
H21B H 0.686240 0.566884 0.498630 0.136 Uiso 0.5 1 calc R . . A 2
C22A C 0.3792(9) 0.2916(12) 0.5500(9) 0.105(9) Uani 0.5 1 d D U . B 1
H22A H 0.366502 0.284769 0.572003 0.126 Uiso 0.5 1 calc R . . B 1
C22B C 0.3942(12) 0.3008(12) 0.5260(7) 0.102(8) Uani 0.5 1 d D U . B 2
H22B H 0.409496 0.310993 0.504828 0.122 Uiso 0.5 1 calc R . . B 2
C23A C 0.2937(15) 0.256(2) 0.5367(12) 0.164(10) Uani 0.5 1 d . U . B 1
H23A H 0.291121 0.238839 0.557957 0.246 Uiso 0.5 1 calc GR . . B 1
H23B H 0.273470 0.230624 0.519968 0.246 Uiso 0.5 1 calc GR . . B 1
H23C H 0.281664 0.279109 0.539519 0.246 Uiso 0.5 1 calc GR . . B 1
C24A C 0.3563(14) 0.2885(19) 0.4963(10) 0.144(9) Uani 0.5 1 d . U . B 1
H24A H 0.392353 0.309840 0.493591 0.216 Uiso 0.5 1 calc GR . . B 1
H24B H 0.339202 0.304258 0.485697 0.216 Uiso 0.5 1 calc GR . . B 1
H24C H 0.345565 0.256116 0.485781 0.216 Uiso 0.5 1 calc GR . . B 1
C23B C 0.3216(17) 0.283(2) 0.5555(11) 0.167(11) Uani 0.5 1 d . U . B 2
H23D H 0.300399 0.247862 0.561308 0.251 Uiso 0.5 1 d R . . B 2
H23E H 0.300729 0.298062 0.551568 0.251 Uiso 0.5 1 d R . . B 2
H23F H 0.344749 0.300502 0.573748 0.251 Uiso 0.5 1 d R . . B 2
C24B C 0.3196(15) 0.2659(19) 0.4941(10) 0.145(9) Uani 0.5 1 d . U . B 2
H24D H 0.312244 0.291168 0.485717 0.217 Uiso 0.5 1 calc GR . . B 2
H24E H 0.288428 0.234391 0.497295 0.217 Uiso 0.5 1 calc GR . . B 2
H24F H 0.340599 0.261042 0.478065 0.217 Uiso 0.5 1 calc GR . . B 2
C25 C 0.4762(6) 0.2986(6) 0.4348(4) 0.091(4) Uani 1 1 d . . . . .
C26 C 0.4348(7) 0.2943(10) 0.4109(5) 0.125(6) Uani 1 1 d . . . . .
C27 C 0.666667 0.5688(6) 0.583333 0.094(6) Uani 1 2 d S T P C .
C28 C 0.666667 0.6192(8) 0.583333 0.108(6) Uani 1 2 d DS TU P . .
F1 F 0.4217(5) 0.2578(5) 0.3887(4) 0.184(6) Uani 1 1 d . . . . .
F2 F 0.3960(5) 0.2899(7) 0.4234(3) 0.186(5) Uani 1 1 d . U . . .
F3 F 0.4527(6) 0.3352(6) 0.3916(3) 0.178(5) Uani 1 1 d . . . . .
F4 F 0.6390(16) 0.6210(17) 0.6085(7) 0.200(14) Uani 0.5 1 d D U . C -1
F5 F 0.7123(6) 0.6579(9) 0.5771(10) 0.162(10) Uani 0.5 1 d D U . C -1
F6 F 0.6417(10) 0.6236(7) 0.5573(6) 0.128(6) Uani 0.5 1 d D U . C -1
N1 N 0.3459(5) 0.2824(7) 0.5259(4) 0.127(4) Uani 1 1 d . U . . .
O1 O 0.5049(4) 0.2866(4) 0.4245(3) 0.111(3) Uani 1 1 d . . . . .
O2 O 0.4729(4) 0.3126(4) 0.4636(3) 0.102(3) Uani 1 1 d . . . . .
O3 O 0.4211(5) 0.3066(5) 0.5474(4) 0.139(4) Uani 1 1 d D U . . .
O4 O 0.6390(4) 0.5374(3) 0.5623(2) 0.093(3) Uani 1 1 d . . . . .
S1 S 0.72896(11) 0.49893(10) 0.52059(7) 0.0705(6) Uani 1 1 d D U . . .
S2 S 0.55251(10) 0.40183(11) 0.54395(7) 0.0718(7) Uani 1 1 d . . . . .
S3 S 0.61396(11) 0.24550(11) 0.46558(7) 0.0727(7) Uani 1 1 d . . . . .
S4 S 0.6402(4) 0.3344(5) 0.41753(19) 0.102(3) Uani 0.3333 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag1 3.0780(14) 18_655 ?
Ag1 Ag1 2.8963(13) 16_545 ?
Ag1 Ag2 2.9200(10) 2_655 ?
Ag1 Ag2 2.8925(10) 3_665 ?
Ag1 Ag2 3.0257(9) 17 ?
Ag1 Ag4 3.0576(11) 3_665 ?
Ag1 Ag5 3.0257(12) 3_665 ?
Ag1 Ag6 2.9898(10) . ?
Ag1 Ag6 3.0016(10) 18_655 ?
Ag1 Au1 2.8064(7) . ?
Ag1 S1 2.570(3) . ?
Ag2 Ag2 2.9021(12) 2_655 ?
Ag2 Ag2 2.9020(12) 3_665 ?
Ag2 Ag4 3.0150(12) 2_655 ?
Ag2 Ag6 2.9883(10) 2_655 ?
Ag2 Au1 2.7952(6) . ?
Ag2 S3 2.495(3) . ?
Ag3 Ag4 2.9554(19) . ?
Ag3 O1 2.277(10) . ?
Ag3 S3 2.503(3) 3_665 ?
Ag3 S3 2.407(3) . ?
Ag3 S4 2.322(10) . ?
Ag4 Ag5 3.0601(11) . ?
Ag4 O2 2.341(9) . ?
Ag4 S1 2.554(3) 2_655 ?
Ag4 S2 2.515(3) . ?
Ag5 O3 2.544(12) . ?
Ag5 O3 2.544(12) 17 ?
Ag5 S2 2.441(3) . ?
Ag5 S2 2.442(3) 17 ?
Ag6 Ag6 3.1943(16) 18_655 ?
Ag6 O4 2.352(8) . ?
Ag6 S1 2.468(3) . ?
Ag6 S2 2.462(3) . ?
C1 C2 1.466(17) . ?
C1 S3 1.841(13) . ?
C2 C3 1.369(9) . ?
C2 C7 1.370(9) . ?
C3 C4 1.375(10) . ?
C4 C5 1.370(10) . ?
C5 C6 1.369(10) . ?
C6 C7 1.372(10) . ?
C8 C9 1.49(2) . ?
C8 S2 1.838(11) . ?
C9 C10 1.38(2) . ?
C9 C14 1.39(2) . ?
C10 C11 1.38(2) . ?
C11 C12 1.38(3) . ?
C12 C13 1.36(3) . ?
C13 C14 1.40(3) . ?
C15A C16A 1.18(3) . ?
C15A S1 1.841(13) . ?
C16A C17A 1.359(12) . ?
C16A C21A 1.364(12) . ?
C17A C18A 1.360(12) . ?
C18A C19A 1.361(12) . ?
C19A C20A 1.364(12) . ?
C20A C21A 1.360(12) . ?
C15B C16B 1.85(4) . ?
C15B S1 1.844(13) . ?
C16B C17B 1.32(3) . ?
C16B C21B 1.358(13) . ?
C17B C18B 1.362(13) . ?
C18B C19B 1.366(13) . ?
C19B C20B 1.358(13) . ?
C20B C21B 1.357(13) . ?
C22A N1 1.31(3) . ?
C22A O3 1.12(2) . ?
C22B N1 1.28(3) . ?
C22B O3 1.12(2) . ?
C23A N1 1.44(4) . ?
C24A N1 1.20(4) . ?
C23B N1 1.38(4) . ?
C24B N1 1.44(4) . ?
C25 C26 1.52(2) . ?
C25 O1 1.173(16) . ?
C25 O2 1.232(16) . ?
C26 F1 1.31(2) . ?
C26 F2 1.22(2) . ?
C26 F3 1.32(2) . ?
C27 C28 1.53(3) . ?
C27 O4 1.225(11) 18_655 ?
C27 O4 1.225(11) . ?
C28 F4 1.317(14) . ?
C28 F5 1.316(14) . ?
C28 F6 1.322(14) . ?
S3 S4 2.555(9) 2_655 ?
S4 S4 1.422(19) 3_665 ?
S4 S4 1.423(19) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag1 Ag1 Ag1 105.33(3) 16_545 18_655 ?
Ag1 Ag1 Ag2 62.69(3) 16_545 2_655 ?
Ag1 Ag1 Ag2 59.04(3) 16_545 17 ?
Ag1 Ag1 Ag4 89.97(3) 16_545 3_665 ?
Ag1 Ag1 Ag5 61.409(16) 16_545 3_665 ?
Ag1 Ag1 Ag6 164.28(3) 16_545 . ?
Ag1 Ag1 Ag6 111.90(4) 16_545 18_655 ?
Ag2 Ag1 Ag1 60.80(3) 3_665 18_655 ?
Ag2 Ag1 Ag1 107.26(2) 2_655 18_655 ?
Ag2 Ag1 Ag1 56.57(2) 17 18_655 ?
Ag2 Ag1 Ag1 110.10(2) 3_665 16_545 ?
Ag2 Ag1 Ag2 107.98(3) 2_655 17 ?
Ag2 Ag1 Ag2 106.65(3) 3_665 17 ?
Ag2 Ag1 Ag2 59.90(3) 3_665 2_655 ?
Ag2 Ag1 Ag4 146.97(3) 17 3_665 ?
Ag2 Ag1 Ag4 60.53(3) 2_655 3_665 ?
Ag2 Ag1 Ag4 93.96(3) 3_665 3_665 ?
Ag2 Ag1 Ag5 151.46(3) 3_665 3_665 ?
Ag2 Ag1 Ag5 94.30(2) 2_655 3_665 ?
Ag2 Ag1 Ag6 112.70(3) 3_665 18_655 ?
Ag2 Ag1 Ag6 61.04(2) 3_665 . ?
Ag2 Ag1 Ag6 116.41(3) 2_655 . ?
Ag2 Ag1 Ag6 164.48(3) 2_655 18_655 ?
Ag4 Ag1 Ag1 153.59(4) 3_665 18_655 ?
Ag5 Ag1 Ag1 145.95(4) 3_665 18_655 ?
Ag5 Ag1 Ag2 92.18(2) 3_665 17 ?
Ag5 Ag1 Ag4 60.40(2) 3_665 3_665 ?
Ag6 Ag1 Ag1 59.28(2) . 18_655 ?
Ag6 Ag1 Ag1 58.90(2) 18_655 18_655 ?
Ag6 Ag1 Ag2 109.31(3) . 17 ?
Ag6 Ag1 Ag2 59.44(2) 18_655 17 ?
Ag6 Ag1 Ag4 103.18(3) . 3_665 ?
Ag6 Ag1 Ag4 135.00(3) 18_655 3_665 ?
Ag6 Ag1 Ag5 95.23(2) 18_655 3_665 ?
Ag6 Ag1 Ag5 132.82(3) . 3_665 ?
Ag6 Ag1 Ag6 64.44(3) . 18_655 ?
Au1 Ag1 Ag1 58.934(14) . 16_545 ?
Au1 Ag1 Ag1 56.738(14) . 18_655 ?
Au1 Ag1 Ag2 57.127(18) . 17 ?
Au1 Ag1 Ag2 58.396(18) . 2_655 ?
Au1 Ag1 Ag2 58.722(18) . 3_665 ?
Au1 Ag1 Ag4 118.78(3) . 3_665 ?
Au1 Ag1 Ag5 120.34(3) . 3_665 ?
Au1 Ag1 Ag6 106.12(3) . 18_655 ?
Au1 Ag1 Ag6 106.44(3) . . ?
S1 Ag1 Ag1 142.62(7) . 16_545 ?
S1 Ag1 Ag1 111.07(7) . 18_655 ?
S1 Ag1 Ag2 81.46(7) . 3_665 ?
S1 Ag1 Ag2 97.76(7) . 2_655 ?
S1 Ag1 Ag2 153.71(7) . 17 ?
S1 Ag1 Ag4 53.12(7) . 3_665 ?
S1 Ag1 Ag5 91.10(7) . 3_665 ?
S1 Ag1 Ag6 94.29(7) . 18_655 ?
S1 Ag1 Ag6 52.03(7) . . ?
S1 Ag1 Au1 139.66(7) . . ?
Ag1 Ag2 Ag1 62.64(3) 2_655 17 ?
Ag1 Ag2 Ag1 109.67(3) 2_655 3_665 ?
Ag1 Ag2 Ag1 58.27(3) 3_665 17 ?
Ag1 Ag2 Ag2 60.52(3) 2_655 3_665 ?
Ag1 Ag2 Ag2 108.93(2) 2_655 2_655 ?
Ag1 Ag2 Ag4 61.99(3) 3_665 2_655 ?
Ag1 Ag2 Ag4 146.41(4) 2_655 2_655 ?
Ag1 Ag2 Ag6 111.61(3) 3_665 2_655 ?
Ag1 Ag2 Ag6 61.09(2) 2_655 2_655 ?
Ag2 Ag2 Ag1 109.153(19) 3_665 17 ?
Ag2 Ag2 Ag1 106.33(2) 2_655 17 ?
Ag2 Ag2 Ag1 108.18(2) 3_665 3_665 ?
Ag2 Ag2 Ag1 59.58(3) 2_655 3_665 ?
Ag2 Ag2 Ag2 60.0 3_665 2_655 ?
Ag2 Ag2 Ag4 94.67(4) 2_655 2_655 ?
Ag2 Ag2 Ag4 151.97(3) 3_665 2_655 ?
Ag2 Ag2 Ag6 165.17(2) 2_655 2_655 ?
Ag2 Ag2 Ag6 117.02(4) 3_665 2_655 ?
Ag4 Ag2 Ag1 88.38(3) 2_655 17 ?
Ag6 Ag2 Ag1 59.88(2) 2_655 17 ?
Ag6 Ag2 Ag4 90.55(3) 2_655 2_655 ?
Au1 Ag2 Ag1 59.100(19) . 2_655 ?
Au1 Ag2 Ag1 58.768(19) . 3_665 ?
Au1 Ag2 Ag1 57.485(18) . 17 ?
Au1 Ag2 Ag2 58.728(12) . 2_655 ?
Au1 Ag2 Ag2 58.729(12) . 3_665 ?
Au1 Ag2 Ag4 120.61(3) . 2_655 ?
Au1 Ag2 Ag6 106.78(3) . 2_655 ?
S3 Ag2 Ag1 129.49(7) . 3_665 ?
S3 Ag2 Ag1 120.60(7) . 2_655 ?
S3 Ag2 Ag1 144.46(8) . 17 ?
S3 Ag2 Ag2 105.18(7) . 2_655 ?
S3 Ag2 Ag2 100.58(7) . 3_665 ?
S3 Ag2 Ag4 73.04(7) . 2_655 ?
S3 Ag2 Ag6 89.61(7) . 2_655 ?
S3 Ag2 Au1 157.69(8) . . ?
O1 Ag3 Ag4 82.6(3) . . ?
O1 Ag3 S3 107.7(3) . 3_665 ?
O1 Ag3 S3 139.3(3) . . ?
O1 Ag3 S4 103.8(4) . . ?
S3 Ag3 Ag4 74.02(8) 3_665 . ?
S3 Ag3 Ag4 121.66(10) . . ?
S3 Ag3 S3 110.22(13) . 3_665 ?
S4 Ag3 Ag4 137.4(3) . . ?
S4 Ag3 S3 80.6(3) . . ?
S4 Ag3 S3 63.8(3) . 3_665 ?
Ag1 Ag4 Ag5 59.28(3) 2_655 . ?
Ag2 Ag4 Ag1 57.47(2) 3_665 2_655 ?
Ag2 Ag4 Ag5 91.71(3) 3_665 . ?
Ag3 Ag4 Ag1 96.63(4) . 2_655 ?
Ag3 Ag4 Ag2 72.51(4) . 3_665 ?
Ag3 Ag4 Ag5 155.90(5) . . ?
O2 Ag4 Ag1 153.9(3) . 2_655 ?
O2 Ag4 Ag2 140.1(3) . 3_665 ?
O2 Ag4 Ag3 77.7(3) . . ?
O2 Ag4 Ag5 123.9(3) . . ?
O2 Ag4 S1 100.7(3) . 2_655 ?
O2 Ag4 S2 114.4(3) . . ?
S1 Ag4 Ag1 53.60(6) 2_655 2_655 ?
S1 Ag4 Ag2 95.75(6) 2_655 3_665 ?
S1 Ag4 Ag3 73.48(7) 2_655 . ?
S1 Ag4 Ag5 90.63(7) 2_655 . ?
S2 Ag4 Ag1 87.86(7) . 2_655 ?
S2 Ag4 Ag2 72.35(7) . 3_665 ?
S2 Ag4 Ag3 134.64(8) . . ?
S2 Ag4 Ag5 50.80(7) . . ?
S2 Ag4 S1 137.78(10) . 2_655 ?
Ag1 Ag5 Ag1 57.18(3) 2_655 18_655 ?
Ag1 Ag5 Ag4 87.55(3) 2_655 17 ?
Ag1 Ag5 Ag4 87.55(3) 18_655 . ?
Ag1 Ag5 Ag4 60.32(3) 2_655 . ?
Ag1 Ag5 Ag4 60.32(3) 18_655 17 ?
Ag4 Ag5 Ag4 144.33(5) . 17 ?
O3 Ag5 Ag1 117.2(3) 17 18_655 ?
O3 Ag5 Ag1 117.2(3) . 2_655 ?
O3 Ag5 Ag1 156.5(3) . 18_655 ?
O3 Ag5 Ag1 156.5(3) 17 2_655 ?
O3 Ag5 Ag4 71.7(3) . . ?
O3 Ag5 Ag4 142.5(3) . 17 ?
O3 Ag5 Ag4 71.7(3) 17 17 ?
O3 Ag5 Ag4 142.5(3) 17 . ?
O3 Ag5 O3 77.0(7) . 17 ?
S2 Ag5 Ag1 66.61(7) . 18_655 ?
S2 Ag5 Ag1 89.95(7) 17 18_655 ?
S2 Ag5 Ag1 66.60(7) 17 2_655 ?
S2 Ag5 Ag1 89.95(7) . 2_655 ?
S2 Ag5 Ag4 117.61(7) . 17 ?
S2 Ag5 Ag4 52.97(7) . . ?
S2 Ag5 Ag4 52.98(7) 17 17 ?
S2 Ag5 Ag4 117.60(7) 17 . ?
S2 Ag5 O3 91.6(3) 17 17 ?
S2 Ag5 O3 109.1(3) 17 . ?
S2 Ag5 O3 109.1(3) . 17 ?
S2 Ag5 O3 91.6(3) . . ?
S2 Ag5 S2 153.80(13) . 17 ?
Ag1 Ag6 Ag1 61.82(3) . 18_655 ?
Ag1 Ag6 Ag6 57.60(2) 18_655 18_655 ?
Ag1 Ag6 Ag6 57.96(2) . 18_655 ?
Ag2 Ag6 Ag1 60.68(2) 3_665 18_655 ?
Ag2 Ag6 Ag1 57.87(2) 3_665 . ?
Ag2 Ag6 Ag6 105.009(19) 3_665 18_655 ?
O4 Ag6 Ag1 126.9(2) . . ?
O4 Ag6 Ag1 116.0(2) . 18_655 ?
O4 Ag6 Ag2 173.2(2) . 3_665 ?
O4 Ag6 Ag6 76.4(2) . 18_655 ?
O4 Ag6 S1 105.5(3) . . ?
O4 Ag6 S2 99.8(2) . . ?
S1 Ag6 Ag1 55.18(6) . . ?
S1 Ag6 Ag1 116.74(7) . 18_655 ?
S1 Ag6 Ag2 81.20(7) . 3_665 ?
S1 Ag6 Ag6 91.72(7) . 18_655 ?
S2 Ag6 Ag1 66.80(7) . 18_655 ?
S2 Ag6 Ag1 121.27(7) . . ?
S2 Ag6 Ag2 73.52(7) . 3_665 ?
S2 Ag6 Ag6 113.30(8) . 18_655 ?
S2 Ag6 S1 148.03(10) . . ?
Ag1 Au1 Ag1 66.52(3) 3_665 16_545 ?
Ag1 Au1 Ag1 115.682(10) 3_665 . ?
Ag1 Au1 Ag1 115.682(10) 2_655 . ?
Ag1 Au1 Ag1 66.52(3) 17 2_655 ?
Ag1 Au1 Ag1 66.52(3) 18_655 . ?
Ag1 Au1 Ag1 177.66(3) 17 . ?
Ag1 Au1 Ag1 115.679(10) 16_545 17 ?
Ag1 Au1 Ag1 177.67(3) 16_545 2_655 ?
Ag1 Au1 Ag1 62.13(3) 3_665 17 ?
Ag1 Au1 Ag1 62.13(3) 18_655 2_655 ?
Ag1 Au1 Ag1 177.66(3) 3_665 18_655 ?
Ag1 Au1 Ag1 62.13(3) 16_545 . ?
Ag1 Au1 Ag1 115.685(10) 16_545 18_655 ?
Ag1 Au1 Ag1 115.685(10) 17 18_655 ?
Ag1 Au1 Ag1 115.682(10) 3_665 2_655 ?
Ag2 Au1 Ag1 62.83(2) 18_655 17 ?
Ag2 Au1 Ag1 115.78(2) 2_655 17 ?
Ag2 Au1 Ag1 114.66(2) . . ?
Ag2 Au1 Ag1 114.66(2) 17 17 ?
Ag2 Au1 Ag1 115.79(2) 3_665 16_545 ?
Ag2 Au1 Ag1 62.18(2) 16_545 17 ?
Ag2 Au1 Ag1 65.39(2) 17 . ?
Ag2 Au1 Ag1 114.66(2) 3_665 3_665 ?
Ag2 Au1 Ag1 115.79(2) 17 2_655 ?
Ag2 Au1 Ag1 65.39(2) 18_655 3_665 ?
Ag2 Au1 Ag1 62.84(2) 17 16_545 ?
Ag2 Au1 Ag1 115.79(2) . 18_655 ?
Ag2 Au1 Ag1 62.18(2) 3_665 . ?
Ag2 Au1 Ag1 119.18(2) 2_655 18_655 ?
Ag2 Au1 Ag1 62.84(2) . 3_665 ?
Ag2 Au1 Ag1 65.39(2) 3_665 18_655 ?
Ag2 Au1 Ag1 119.18(2) 18_655 2_655 ?
Ag2 Au1 Ag1 114.66(2) 18_655 18_655 ?
Ag2 Au1 Ag1 65.39(2) 16_545 2_655 ?
Ag2 Au1 Ag1 119.17(2) 17 3_665 ?
Ag2 Au1 Ag1 62.18(2) 18_655 16_545 ?
Ag2 Au1 Ag1 62.84(2) 16_545 18_655 ?
Ag2 Au1 Ag1 114.66(2) 16_545 16_545 ?
Ag2 Au1 Ag1 115.79(2) 16_545 3_665 ?
Ag2 Au1 Ag1 62.84(2) 2_655 . ?
Ag2 Au1 Ag1 119.18(2) . 16_545 ?
Ag2 Au1 Ag1 115.79(2) 18_655 . ?
Ag2 Au1 Ag1 65.39(2) 2_655 16_545 ?
Ag2 Au1 Ag1 119.18(2) 16_545 . ?
Ag2 Au1 Ag1 62.18(2) . 2_655 ?
Ag2 Au1 Ag1 62.18(2) 2_655 3_665 ?
Ag2 Au1 Ag1 114.66(2) 2_655 2_655 ?
Ag2 Au1 Ag1 119.18(2) 3_665 17 ?
Ag2 Au1 Ag1 62.83(2) 3_665 2_655 ?
Ag2 Au1 Ag1 65.39(2) . 17 ?
Ag2 Au1 Ag1 62.18(2) 17 18_655 ?
Ag2 Au1 Ag2 118.73(3) 2_655 17 ?
Ag2 Au1 Ag2 62.54(2) . 2_655 ?
Ag2 Au1 Ag2 116.24(3) 2_655 18_655 ?
Ag2 Au1 Ag2 116.25(3) 3_665 17 ?
Ag2 Au1 Ag2 62.54(2) 2_655 3_665 ?
Ag2 Au1 Ag2 62.54(2) 18_655 17 ?
Ag2 Au1 Ag2 177.88(3) . 17 ?
Ag2 Au1 Ag2 116.24(3) . 16_545 ?
Ag2 Au1 Ag2 62.54(2) . 3_665 ?
Ag2 Au1 Ag2 177.88(3) 2_655 16_545 ?
Ag2 Au1 Ag2 118.72(3) . 18_655 ?
Ag2 Au1 Ag2 118.73(3) 3_665 16_545 ?
Ag2 Au1 Ag2 177.88(3) 3_665 18_655 ?
Ag2 Au1 Ag2 62.54(2) 18_655 16_545 ?
Ag2 Au1 Ag2 62.55(2) 17 16_545 ?
C2 C1 S3 112.4(9) . . ?
C3 C2 C1 121.9(13) . . ?
C3 C2 C7 117.1(14) . . ?
C7 C2 C1 121.0(13) . . ?
C2 C3 C4 123.0(16) . . ?
C5 C4 C3 115.1(19) . . ?
C6 C5 C4 126(2) . . ?
C5 C6 C7 114.0(19) . . ?
C2 C7 C6 124.3(16) . . ?
C9 C8 S2 111.2(9) . . ?
C10 C9 C8 120.3(14) . . ?
C10 C9 C14 117.0(16) . . ?
C14 C9 C8 122.7(16) . . ?
C11 C10 C9 123.1(16) . . ?
C10 C11 C12 118.2(19) . . ?
C13 C12 C11 121.1(18) . . ?
C12 C13 C14 120.1(18) . . ?
C9 C14 C13 120.6(18) . . ?
C16A C15A S1 131(2) . . ?
C15A C16A C17A 124(3) . . ?
C15A C16A C21A 129(3) . . ?
C17A C16A C21A 106(3) . . ?
C16A C17A C18A 134(3) . . ?
C17A C18A C19A 106(3) . . ?
C18A C19A C20A 134(3) . . ?
C21A C20A C19A 106(3) . . ?
C20A C21A C16A 133(3) . . ?
S1 C15B C16B 97.1(14) . . ?
C17B C16B C15B 111(3) . . ?
C17B C16B C21B 121(3) . . ?
C21B C16B C15B 127(3) . . ?
C16B C17B C18B 120(4) . . ?
C17B C18B C19B 119(3) . . ?
C20B C19B C18B 118(3) . . ?
C21B C20B C19B 120(3) . . ?
C20B C21B C16B 119(3) . . ?
O3 C22A N1 128(3) . . ?
O3 C22B N1 131(3) . . ?
O1 C25 C26 118.0(14) . . ?
O1 C25 O2 128.9(14) . . ?
O2 C25 C26 113.1(14) . . ?
F1 C26 C25 112.0(18) . . ?
F1 C26 F3 102.6(16) . . ?
F2 C26 C25 118.0(15) . . ?
F2 C26 F1 108.1(18) . . ?
F2 C26 F3 105(2) . . ?
F3 C26 C25 109.9(16) . . ?
O4 C27 C28 115.8(8) 18_655 . ?
O4 C27 C28 115.8(8) . . ?
O4 C27 O4 128.5(17) 18_655 . ?
F4 C28 C27 111(2) . . ?
F4 C28 F6 99.7(15) . . ?
F5 C28 C27 111.5(16) . . ?
F5 C28 F4 121(2) . . ?
F5 C28 F6 99.6(14) . . ?
F6 C28 C27 112.8(12) . . ?
C22A N1 C23A 115(3) . . ?
C22B N1 C23B 120(3) . . ?
C22B N1 C24B 118(2) . . ?
C24A N1 C22A 124(3) . . ?
C24A N1 C23A 120(3) . . ?
C23B N1 C24B 122(3) . . ?
C25 O1 Ag3 124.1(10) . . ?
C25 O2 Ag4 126.3(9) . . ?
C22A O3 Ag5 141(2) . . ?
C22B O3 Ag5 164(2) . . ?
C27 O4 Ag6 124.9(9) . . ?
Ag4 S1 Ag1 73.28(8) 3_665 . ?
Ag6 S1 Ag1 72.79(8) . . ?
Ag6 S1 Ag4 141.38(11) . 3_665 ?
C15A S1 Ag1 117.5(8) . . ?
C15A S1 Ag4 105.1(13) . 3_665 ?
C15A S1 Ag6 106.6(13) . . ?
C15B S1 Ag1 103.4(8) . . ?
C15B S1 Ag6 105.0(13) . . ?
Ag5 S2 Ag4 76.23(9) . . ?
Ag5 S2 Ag6 130.44(12) . . ?
Ag6 S2 Ag4 117.94(11) . . ?
C8 S2 Ag4 117.8(5) . . ?
C8 S2 Ag5 104.4(5) . . ?
C8 S2 Ag6 107.7(5) . . ?
Ag2 S3 Ag3 89.89(10) . 2_655 ?
Ag2 S3 S4 122.3(3) . 2_655 ?
Ag3 S3 Ag2 96.35(11) . . ?
Ag3 S3 Ag3 123.66(14) . 2_655 ?
Ag3 S3 S4 54.7(3) 2_655 2_655 ?
Ag3 S3 S4 75.8(3) . 2_655 ?
C1 S3 Ag2 119.0(5) . . ?
C1 S3 Ag3 116.1(6) . 2_655 ?
C1 S3 Ag3 109.1(5) . . ?
C1 S3 S4 117.5(5) . 2_655 ?
Ag3 S4 S3 61.55(19) . 3_665 ?
S4 S4 Ag3 106.5(10) 2_655 . ?
S4 S4 Ag3 140.2(3) 3_665 . ?
S4 S4 S3 96.4(8) 3_665 3_665 ?
S4 S4 S3 129.0(3) 2_655 3_665 ?
S4 S4 S4 59.996(1) 3_665 2_655 ?

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
C1 C2 C3 C4 179.3(18) . . . . ?
C1 C2 C7 C6 178.6(17) . . . . ?
C2 C1 S3 Ag2 156.9(9) . . . . ?
C2 C1 S3 Ag3 -97.5(11) . . . 2_655 ?
C2 C1 S3 Ag3 47.9(12) . . . . ?
C2 C1 S3 S4 -35.6(14) . . . 2_655 ?
C2 C3 C4 C5 4(3) . . . . ?
C3 C2 C7 C6 -1(3) . . . . ?
C3 C4 C5 C6 -6(4) . . . . ?
C4 C5 C6 C7 4(4) . . . . ?
C5 C6 C7 C2 0(3) . . . . ?
C7 C2 C3 C4 -1(3) . . . . ?
C8 C9 C10 C11 178.6(13) . . . . ?
C8 C9 C14 C13 -179.1(14) . . . . ?
C9 C8 S2 Ag4 -63.6(12) . . . . ?
C9 C8 S2 Ag5 -145.4(10) . . . . ?
C9 C8 S2 Ag6 72.8(11) . . . . ?
C9 C10 C11 C12 1(2) . . . . ?
C10 C9 C14 C13 0(2) . . . . ?
C10 C11 C12 C13 -2(3) . . . . ?
C11 C12 C13 C14 2(3) . . . . ?
C12 C13 C14 C9 0(3) . . . . ?
C14 C9 C10 C11 0(2) . . . . ?
C15A C16A C17A C18A -170(4) . . . . ?
C15A C16A C21A C20A 163(4) . . . . ?
C16A C15A S1 Ag1 168(4) . . . . ?
C16A C15A S1 Ag4 89(4) . . . 3_665 ?
C16A C15A S1 Ag6 -113(4) . . . . ?
C16A C17A C18A C19A 1(2) . . . . ?
C17A C16A C21A C20A -10(5) . . . . ?
C17A C18A C19A C20A -1(6) . . . . ?
C18A C19A C20A C21A -3(6) . . . . ?
C19A C20A C21A C16A 10(6) . . . . ?
C21A C16A C17A C18A 3(2) . . . . ?
C15B C16B C17B C18B -166(4) . . . . ?
C15B C16B C21B C20B 171(3) . . . . ?
C16B C15B S1 Ag1 -171.7(14) . . . . ?
C16B C15B S1 Ag4 113.3(16) . . . 3_665 ?
C16B C15B S1 Ag6 -96.2(16) . . . . ?
C16B C17B C18B C19B -17(7) . . . . ?
C17B C16B C21B C20B 0(3) . . . . ?
C17B C18B C19B C20B 21(7) . . . . ?
C18B C19B C20B C21B -15(5) . . . . ?
C19B C20B C21B C16B 4(3) . . . . ?
C21B C16B C17B C18B 7(6) . . . . ?
C26 C25 O1 Ag3 176.8(13) . . . . ?
C26 C25 O2 Ag4 177.8(12) . . . . ?
C28 C27 O4 Ag6 164.3(4) . . . . ?
N1 C22A O3 Ag5 177.0(16) . . . . ?
N1 C22B O3 Ag5 -170(4) . . . . ?
O1 C25 C26 F1 30(3) . . . . ?
O1 C25 C26 F2 156(2) . . . . ?
O1 C25 C26 F3 -84(2) . . . . ?
O1 C25 O2 Ag4 1(3) . . . . ?
O2 C25 C26 F1 -147.5(17) . . . . ?
O2 C25 C26 F2 -21(3) . . . . ?
O2 C25 C26 F3 99.1(19) . . . . ?
O2 C25 O1 Ag3 -7(3) . . . . ?
O3 C22A N1 C23A 170(4) . . . . ?
O3 C22A N1 C24A 1(6) . . . . ?
O3 C22B N1 C23B 23(6) . . . . ?
O3 C22B N1 C24B -162(4) . . . . ?
O4 C27 C28 F4 102(2) . . . . ?
O4 C27 C28 F4 -78(2) 18_655 . . . ?
O4 C27 C28 F5 60(2) 18_655 . . . ?
O4 C27 C28 F5 -120(2) . . . . ?
O4 C27 C28 F6 -8.6(15) . . . . ?
O4 C27 C28 F6 171.4(15) 18_655 . . . ?
O4 C27 O4 Ag6 -15.7(4) 18_655 . . . ?
S1 C15A C16A C17A 154(3) . . . . ?
S1 C15A C16A C21A -17(7) . . . . ?
S1 C15B C16B C17B -131(3) . . . . ?
S1 C15B C16B C21B 57(3) . . . . ?
S2 C8 C9 C10 -89.4(14) . . . . ?
S2 C8 C9 C14 89.2(15) . . . . ?
S3 C1 C2 C3 95.8(16) . . . . ?
S3 C1 C2 C7 -84.2(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.346
_oxdiff_exptl_absorpt_empirical_full_min 0.627
