# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_ag14
_database_code_depnum_ccdc_archive 'CCDC 2182448'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-06-28 deposited with the CCDC.	2022-08-29 downloaded from the CCDC.
;
_audit_creation_date             2021-11-13
_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         '0.5(C104 H168 Ag28 F48 N12 O44 S12)'
_chemical_formula_sum            'C52 H84 Ag14 F24 N6 O22 S6'
_chemical_formula_weight         3303.79
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     ' '
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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.4916(4)
_cell_length_b                   18.1316(4)
_cell_length_c                   23.7184(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.945(2)
_cell_angle_gamma                90
_cell_volume                     9237.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12259
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      73.3950
_cell_measurement_theta_min      3.6830
_shelx_estimated_absorpt_T_max   0.185
_shelx_estimated_absorpt_T_min   0.150
_exptl_absorpt_coefficient_mu    25.507
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17591
_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            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.376
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6336
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            13218
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        66.499
_diffrn_reflns_theta_max         66.499
_diffrn_reflns_theta_min         3.660
_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 0.992
_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  15.00   0.50    0.50    --    0.00  57.00  30.00   88
  2  ω    -87.00 -16.00   0.50    0.50    --    0.00 -38.00 -90.00  142
  3  ω      4.00  29.00   0.50    0.50    --    0.00 -38.00 -90.00   50
  4  ω     57.00  84.00   0.50    0.50    --    0.00  57.00  30.00   54
  5  ω     87.00 147.00   0.50    2.00    --   98.80  61.00 150.00  120
  6  ω     14.00 111.00   0.50    2.00    --   98.80 -45.00   0.00  194
  7  ω      9.00 106.00   0.50    2.00    --   98.80 -61.00   0.00  194
  8  ω    103.00 141.00   0.50    2.00    --   98.80  45.00-150.00   76
  9  ω     21.00 107.00   0.50    2.00    --   98.80 -82.00   0.00  172
 10  ω     68.00 148.00   0.50    2.00    --   98.80  82.00 120.00  160
 11  ω    160.00 185.00   0.50    2.00    --   98.80  45.00-150.00   50
 12  ω     68.00 149.00   0.50    2.00    --   98.80  61.00-150.00  162
;
_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      0.0040841000
_diffrn_orient_matrix_UB_12      0.0581767000
_diffrn_orient_matrix_UB_13      -0.0470372000
_diffrn_orient_matrix_UB_21      0.0321955000
_diffrn_orient_matrix_UB_22      0.0537455000
_diffrn_orient_matrix_UB_23      0.0420043000
_diffrn_orient_matrix_UB_31      0.0639684000
_diffrn_orient_matrix_UB_32      -0.0307723000
_diffrn_orient_matrix_UB_33      -0.0156681000
_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                11516
_reflns_number_total             13218
_reflns_odcompleteness_completeness 99.63
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 _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         2.876
_refine_diff_density_min         -3.667
_refine_diff_density_rms         0.399
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     629
_refine_ls_number_reflns         13218
_refine_ls_number_restraints     176
_refine_ls_R_factor_all          0.1220
_refine_ls_R_factor_gt           0.1149
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²+300.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3121
_refine_ls_wR_factor_ref         0.3217
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.7784(16)
 0.2216(16)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 N2-C21 = N2-C22 = N2-C23
 1.45 with sigma of 0.02
 O10-C24 = O10-C21
 1.2 with sigma of 0.02
 O11-C27
 1.2 with sigma of 0.02
 O11-C28
 1.2 with sigma of 0.02
 N3-C28 = N3-C27
 1.4 with sigma of 0.02
 C27-C32
 2.3 with sigma of 0.04
 N2-C23 \\sim N2-C21 \\sim N2-C24 \\sim N2-C26 \\sim N2-C22 \\sim N2-C25_$1
 with sigma of 0.02
 N3-C30 \\sim N3-C29 \\sim N3-C32 \\sim N3-C31
 with sigma of 0.02
4. Rigid bond restraints
 C31, C27, O11, C28, N3, C32, C29, C30
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O2, C10, O1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O2, Ag2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
Uanis(C24) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C23)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(F7) \\sim Ueq,
Uanis(O1) \\sim Ueq, Uanis(F4) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F10) \\sim
Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(O2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C31) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C30)
\\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(O11) \\sim Ueq,
Uanis(C32) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
6. Others
 Sof(C28)=Sof(H28)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C31)=Sof(H31A)=
 Sof(H31B)=Sof(H31C)=1-FVAR(1)
 Sof(C27)=Sof(H27)=Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C32)=Sof(H32A)=
 Sof(H32B)=Sof(H32C)=FVAR(1)
 Fixed Sof: C21(0.5) H21(0.5) C22(0.5) H22A(0.5) H22B(0.5) H22C(0.5) C23(0.5)
 H23A(0.5) H23B(0.5) H23C(0.5) C24(0.5) H24(0.5) C25(0.5) H25A(0.5) H25B(0.5)
 H25C(0.5) C26(0.5) H26A(0.5) H26B(0.5) H26C(0.5)
7.a Riding coordinates:
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
7.b Ternary CH refined with riding coordinates:
 C1(H1), C4(H4), C7(H7)
7.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C21(H21), C24(H24), C27(H27), C28(H28)
7.d Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A,
 H8B,H8C), C9(H9A,H9B,H9C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,
 H22B,H22C), C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C),
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C)
;
_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 0.83918(7) 0.70786(8) 0.61248(6) 0.0476(4) Uani 1 1 d . . . . .
Ag2 Ag 0.81581(7) 0.86310(8) 0.57285(5) 0.0436(4) Uani 1 1 d . U . . .
Ag3 Ag 0.67321(7) 0.86716(8) 0.57778(6) 0.0449(4) Uani 1 1 d . . . . .
Ag4 Ag 0.64663(8) 0.71534(8) 0.62016(6) 0.0502(4) Uani 1 1 d . . . . .
Ag5 Ag 0.72599(9) 0.58353(9) 0.62423(6) 0.0581(5) Uani 1 1 d . . . . .
Ag6 Ag 0.75719(7) 0.54708(9) 0.51245(6) 0.0493(4) Uani 1 1 d . . . . .
Ag7 Ag 0.62367(7) 0.74754(8) 0.50122(6) 0.0423(4) Uani 1 1 d . . . . .
S1 S 0.7473(2) 0.7850(3) 0.63393(17) 0.0428(10) Uani 1 1 d . . . . .
S2 S 0.65620(19) 0.6232(2) 0.53335(17) 0.0330(8) Uani 1 1 d . . . . .
S3 S 0.6481(2) 0.8743(2) 0.47208(18) 0.0367(9) Uani 1 1 d . . . . .
F1 F 0.6996(10) 1.1342(10) 0.6369(11) 0.115(7) Uani 1 1 d . . . . .
F2 F 0.7534(9) 1.0782(14) 0.6964(7) 0.115(7) Uani 1 1 d . . . . .
F3 F 0.7977(11) 1.1304(11) 0.6316(10) 0.116(7) Uani 1 1 d . . . . .
F4 F 1.0224(12) 0.8970(17) 0.6820(12) 0.149(9) Uani 1 1 d . U . . .
F5 F 1.0481(9) 0.8725(14) 0.6068(11) 0.130(9) Uani 1 1 d . . . . .
F6 F 1.0517(10) 0.7900(14) 0.6618(14) 0.148(9) Uani 1 1 d . U . . .
F7 F 0.7968(11) 0.3152(11) 0.6398(8) 0.106(6) Uani 1 1 d . U . . .
F8 F 0.7474(9) 0.2909(9) 0.5640(7) 0.088(5) Uani 1 1 d . . . . .
F9 F 0.6982(11) 0.3154(10) 0.6390(10) 0.115(8) Uani 1 1 d . . . . .
F10 F 0.4490(12) 0.8058(14) 0.6881(13) 0.155(10) Uani 1 1 d . U . . .
F11 F 0.4352(10) 0.855(2) 0.6113(11) 0.168(14) Uani 1 1 d . . . . .
F12 F 0.4730(9) 0.9143(11) 0.6737(11) 0.116(8) Uani 1 1 d . . . . .
O1 O 0.6891(10) 0.9919(11) 0.6077(9) 0.087(5) Uani 1 1 d . U . . .
O2 O 0.7911(11) 0.9952(12) 0.5923(10) 0.096(6) Uani 1 1 d . U . . .
O3 O 0.9205(7) 0.8728(9) 0.6082(7) 0.060(4) Uani 1 1 d . . . . .
O4 O 0.9348(8) 0.7585(9) 0.6429(8) 0.066(4) Uani 1 1 d . . . . .
O5 O 0.5703(8) 0.8721(8) 0.6135(7) 0.060(4) Uani 1 1 d . . . . .
O6 O 0.5534(7) 0.7577(9) 0.6451(7) 0.060(4) Uani 1 1 d . . . . .
O7 O 0.7406(11) 0.4582(9) 0.6358(7) 0.084(6) Uani 1 1 d . . . . .
O8 O 0.7547(8) 0.4302(9) 0.5463(7) 0.066(4) Uani 1 1 d . . . . .
O9 O 0.8163(10) 0.6110(9) 0.6834(7) 0.072(5) Uani 1 1 d . . . . .
O10 O 0.6522(8) 0.6204(9) 0.6972(5) 0.063(4) Uani 1 1 d D . . . .
O11 O 0.5177(10) 0.7474(13) 0.4972(10) 0.092(6) Uani 1 1 d D U . . .
N1 N 0.8883(10) 0.5790(10) 0.7527(8) 0.058(4) Uani 1 1 d . . . . .
N2 N 0.5941(8) 0.5814(9) 0.7688(7) 0.052(4) Uani 1 1 d D . . . .
N3 N 0.4141(10) 0.7476(12) 0.5043(9) 0.074(5) Uani 1 1 d D U . . .
C1 C 0.7530(10) 0.8194(16) 0.7073(8) 0.059(6) Uani 1 1 d . . . . .
H1 H 0.757770 0.774670 0.730323 0.071 Uiso 1 1 calc R . . . .
C2 C 0.6945(14) 0.8511(19) 0.7244(12) 0.085(8) Uani 1 1 d . U . . .
H2A H 0.681711 0.888787 0.698006 0.128 Uiso 1 1 calc GR . . . .
H2B H 0.699910 0.872235 0.761310 0.128 Uiso 1 1 calc GR . . . .
H2C H 0.663318 0.813274 0.724986 0.128 Uiso 1 1 calc GR . . . .
C3 C 0.8085(18) 0.859(3) 0.7182(13) 0.121(16) Uani 1 1 d . . . . .
H3A H 0.799064 0.910156 0.723143 0.182 Uiso 1 1 calc GR . . . .
H3B H 0.835473 0.853177 0.687057 0.182 Uiso 1 1 calc GR . . . .
H3C H 0.828923 0.840191 0.751932 0.182 Uiso 1 1 calc GR . . . .
C4 C 0.5837(8) 0.5638(11) 0.5297(8) 0.041(4) Uani 1 1 d . . . . .
H4 H 0.553775 0.586276 0.502744 0.049 Uiso 1 1 calc R . . . .
C5 C 0.5549(11) 0.5626(14) 0.5877(10) 0.062(6) Uani 1 1 d . . . . .
H5A H 0.541423 0.611404 0.597191 0.094 Uiso 1 1 calc GR . . . .
H5B H 0.585326 0.545951 0.615401 0.094 Uiso 1 1 calc GR . . . .
H5C H 0.519855 0.529765 0.586927 0.094 Uiso 1 1 calc GR . . . .
C6 C 0.6004(10) 0.4897(13) 0.5082(12) 0.064(6) Uani 1 1 d . . . . .
H6A H 0.618719 0.494565 0.472062 0.096 Uiso 1 1 calc GR . . . .
H6B H 0.563645 0.459792 0.504638 0.096 Uiso 1 1 calc GR . . . .
H6C H 0.629745 0.466769 0.534185 0.096 Uiso 1 1 calc GR . . . .
C7 C 0.5742(8) 0.9289(11) 0.4673(8) 0.044(4) Uani 1 1 d . . . . .
H7 H 0.544359 0.905524 0.492070 0.053 Uiso 1 1 calc R . . . .
C8 C 0.5869(12) 1.0052(13) 0.4893(14) 0.077(8) Uani 1 1 d . . . . .
H8A H 0.604704 1.002249 0.526926 0.116 Uiso 1 1 calc GR . . . .
H8B H 0.548723 1.032610 0.489710 0.116 Uiso 1 1 calc GR . . . .
H8C H 0.615586 1.029687 0.465362 0.116 Uiso 1 1 calc GR . . . .
C9 C 0.5470(14) 0.9264(18) 0.4083(9) 0.085(10) Uani 1 1 d . . . . .
H9A H 0.575467 0.948776 0.383038 0.128 Uiso 1 1 calc GR . . . .
H9B H 0.508264 0.952764 0.406576 0.128 Uiso 1 1 calc GR . . . .
H9C H 0.539923 0.876007 0.397370 0.128 Uiso 1 1 calc GR . . . .
C10 C 0.7443(12) 1.0208(11) 0.6084(8) 0.053(4) Uani 1 1 d . U . . .
C11 C 0.7486(12) 1.0916(15) 0.6428(11) 0.066(6) Uani 1 1 d . . . . .
C12 C 0.9511(10) 0.8213(11) 0.6315(8) 0.044(4) Uani 1 1 d . . . . .
C13 C 1.0167(11) 0.8421(13) 0.6498(11) 0.061(6) Uani 1 1 d . . . . .
C14 C 0.7476(10) 0.4154(13) 0.5950(8) 0.051(5) Uani 1 1 d . . . . .
C15 C 0.7466(13) 0.3347(12) 0.6107(10) 0.061(6) Uani 1 1 d . . . . .
C16 C 0.5388(10) 0.8250(11) 0.6355(7) 0.044(4) Uani 1 1 d . . . . .
C17 C 0.4740(10) 0.8486(14) 0.6532(9) 0.054(5) Uani 1 1 d . . . . .
C18 C 0.8418(12) 0.5641(13) 0.7128(9) 0.058(6) Uani 1 1 d . . . . .
H18 H 0.829126 0.515416 0.708030 0.070 Uiso 1 1 calc R . . . .
C19 C 0.9137(14) 0.5218(19) 0.7845(12) 0.083(8) Uani 1 1 d . . . . .
H19A H 0.907789 0.531115 0.823747 0.125 Uiso 1 1 calc GR . . . .
H19B H 0.957432 0.518106 0.777855 0.125 Uiso 1 1 calc GR . . . .
H19C H 0.893554 0.476373 0.773801 0.125 Uiso 1 1 calc GR . . . .
C20 C 0.9035(16) 0.655(2) 0.7615(13) 0.091(9) Uani 1 1 d . . . . .
H20A H 0.935827 0.669553 0.736732 0.136 Uiso 1 1 calc GR . . . .
H20B H 0.917626 0.662694 0.799964 0.136 Uiso 1 1 calc GR . . . .
H20C H 0.867219 0.685089 0.753785 0.136 Uiso 1 1 calc GR . . . .
C21 C 0.6354(14) 0.5672(15) 0.7245(11) 0.040(8) Uani 0.5 1 d D U P A 1
H21 H 0.648956 0.519714 0.716565 0.048 Uiso 0.5 1 calc R . P A 1
C22 C 0.579(2) 0.6569(14) 0.7807(17) 0.051(9) Uani 0.5 1 d D U P A 1
H22A H 0.596462 0.688114 0.752383 0.077 Uiso 0.5 1 calc GR . P A 1
H22B H 0.596850 0.670134 0.817045 0.077 Uiso 0.5 1 calc GR . P A 1
H22C H 0.535011 0.662868 0.780480 0.077 Uiso 0.5 1 calc GR . P A 1
C23 C 0.569(2) 0.526(2) 0.8038(19) 0.059(11) Uani 0.5 1 d D U P A 1
H23A H 0.577084 0.537987 0.842707 0.089 Uiso 0.5 1 calc GR . P A 1
H23B H 0.588121 0.479080 0.795709 0.089 Uiso 0.5 1 calc GR . P A 1
H23C H 0.524880 0.522089 0.796538 0.089 Uiso 0.5 1 calc GR . P A 1
C24 C 0.617(2) 0.6373(18) 0.7341(16) 0.067(13) Uani 0.5 1 d D U P A 2
H24 H 0.605014 0.686166 0.739111 0.080 Uiso 0.5 1 calc R . P A 2
C25 C 0.444(2) 0.591(4) 0.6838(18) 0.082(15) Uani 0.5 1 d D U P B 2
H25A H 0.463155 0.638898 0.685642 0.123 Uiso 0.5 1 calc GR . P B 2
H25B H 0.418714 0.587321 0.649715 0.123 Uiso 0.5 1 calc GR . P B 2
H25C H 0.475544 0.553731 0.684030 0.123 Uiso 0.5 1 calc GR . P B 2
C26 C 0.618(3) 0.5091(19) 0.759(2) 0.079(15) Uani 0.5 1 d D U P A 2
H26A H 0.637620 0.507865 0.723493 0.119 Uiso 0.5 1 calc GR . P A 2
H26B H 0.583937 0.474337 0.758561 0.119 Uiso 0.5 1 calc GR . P A 2
H26C H 0.647290 0.496308 0.788705 0.119 Uiso 0.5 1 calc GR . P A 2
C27 C 0.4742(12) 0.723(2) 0.5186(19) 0.078(9) Uani 0.59(5) 1 d D U P C 1
H27 H 0.479696 0.687242 0.546120 0.094 Uiso 0.59(5) 1 calc R . P C 1
C28 C 0.4693(13) 0.773(3) 0.483(2) 0.073(10) Uani 0.41(5) 1 d D U P C 2
H28 H 0.468103 0.811652 0.456595 0.088 Uiso 0.41(5) 1 calc R . P C 2
C29 C 0.372(3) 0.802(4) 0.483(4) 0.072(14) Uani 0.41(5) 1 d D U P C 2
H29A H 0.373078 0.843824 0.507619 0.108 Uiso 0.41(5) 1 calc GR . P C 2
H29B H 0.330869 0.781790 0.480657 0.108 Uiso 0.41(5) 1 calc GR . P C 2
H29C H 0.384295 0.816705 0.446032 0.108 Uiso 0.41(5) 1 calc GR . P C 2
C30 C 0.390(3) 0.801(3) 0.467(3) 0.088(14) Uani 0.59(5) 1 d D U P C 1
H30A H 0.352729 0.821988 0.481528 0.132 Uiso 0.59(5) 1 calc GR . P C 1
H30B H 0.379939 0.778479 0.430837 0.132 Uiso 0.59(5) 1 calc GR . P C 1
H30C H 0.420079 0.839292 0.461837 0.132 Uiso 0.59(5) 1 calc GR . P C 1
C31 C 0.391(4) 0.697(5) 0.543(4) 0.071(16) Uani 0.41(5) 1 d D U P C 2
H31A H 0.347614 0.711071 0.541110 0.107 Uiso 0.41(5) 1 d R . P C 2
H31B H 0.405804 0.698052 0.581540 0.107 Uiso 0.41(5) 1 d R . P C 2
H31C H 0.394634 0.647522 0.528550 0.107 Uiso 0.41(5) 1 d R . P C 2
C32 C 0.374(2) 0.704(4) 0.537(3) 0.079(13) Uani 0.59(5) 1 d D U P C 1
H32A H 0.398414 0.670822 0.560579 0.118 Uiso 0.59(5) 1 d R . P C 1
H32B H 0.350864 0.676572 0.509129 0.118 Uiso 0.59(5) 1 d R . P C 1
H32C H 0.346034 0.731072 0.560119 0.118 Uiso 0.59(5) 1 d R . P C 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.0044(19) . ?
Ag1 Ag5 3.335(2) . ?
Ag1 Ag7 2.9512(19) 7_666 ?
Ag1 S1 2.486(5) . ?
Ag1 S3 2.520(4) 7_666 ?
Ag1 O4 2.342(16) . ?
Ag1 O9 2.492(15) . ?
Ag2 Ag3 3.072(2) . ?
Ag2 Ag6 2.9985(19) 7_666 ?
Ag2 Ag7 2.993(2) 7_666 ?
Ag2 S1 2.533(5) . ?
Ag2 S2 2.621(4) 7_666 ?
Ag2 O2 2.50(2) . ?
Ag2 O3 2.381(16) . ?
Ag3 Ag4 2.992(2) . ?
Ag3 Ag6 3.0747(19) 7_666 ?
Ag3 Ag7 3.001(2) . ?
Ag3 S1 2.527(5) . ?
Ag3 S3 2.550(4) . ?
Ag3 O1 2.39(2) . ?
Ag3 O5 2.397(16) . ?
Ag4 Ag5 2.936(2) . ?
Ag4 Ag7 2.907(2) . ?
Ag4 S1 2.518(5) . ?
Ag4 S2 2.665(4) . ?
Ag4 O6 2.243(16) . ?
Ag4 O10 2.511(13) . ?
Ag5 Ag6 2.835(2) . ?
Ag5 S2 2.682(4) . ?
Ag5 O7 2.309(17) . ?
Ag5 O9 2.41(2) . ?
Ag5 O10 2.478(15) . ?
Ag6 S2 2.633(4) . ?
Ag6 S3 2.502(5) 7_666 ?
Ag6 O8 2.268(16) . ?
Ag7 S2 2.474(4) . ?
Ag7 S3 2.461(4) . ?
Ag7 O11 2.28(2) . ?
S1 C1 1.85(2) . ?
S2 C4 1.893(17) . ?
S3 C7 1.873(18) . ?
F1 C11 1.31(3) . ?
F2 C11 1.29(3) . ?
F3 C11 1.30(3) . ?
F4 C13 1.26(3) . ?
F5 C13 1.36(3) . ?
F6 C13 1.24(3) . ?
F7 C15 1.31(3) . ?
F8 C15 1.36(3) . ?
F9 C15 1.31(3) . ?
F10 C17 1.27(3) . ?
F11 C17 1.28(3) . ?
F12 C17 1.29(3) . ?
O1 C10 1.30(3) . ?
O2 C10 1.18(3) . ?
O3 C12 1.26(3) . ?
O4 C12 1.22(3) . ?
O5 C16 1.22(3) . ?
O6 C16 1.28(3) . ?
O7 C14 1.25(3) . ?
O8 C14 1.20(3) . ?
O9 C18 1.22(3) . ?
O10 C21 1.22(2) . ?
O10 C24 1.22(2) . ?
O11 C27 1.16(2) . ?
O11 C28 1.18(2) . ?
N1 C18 1.38(3) . ?
N1 C19 1.38(3) . ?
N1 C20 1.44(4) . ?
N2 C21 1.422(17) . ?
N2 C22 1.435(17) . ?
N2 C23 1.428(17) . ?
N2 C24 1.40(2) . ?
N2 C25 1.42(2) 2_656 ?
N2 C26 1.43(2) . ?
N3 C27 1.39(2) . ?
N3 C28 1.39(3) . ?
N3 C29 1.42(3) . ?
N3 C30 1.41(3) . ?
N3 C31 1.41(3) . ?
N3 C32 1.42(3) . ?
C1 H1 0.9800 . ?
C1 C2 1.45(3) . ?
C1 C3 1.41(4) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4 0.9800 . ?
C4 C5 1.53(3) . ?
C4 C6 1.48(3) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9800 . ?
C7 C8 1.50(3) . ?
C7 C9 1.50(3) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.52(3) . ?
C12 C13 1.51(3) . ?
C14 C15 1.51(3) . ?
C16 C17 1.53(3) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9603 . ?
C31 H31B 0.9599 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9605 . ?
C32 H32B 0.9605 . ?
C32 H32C 0.9607 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag2 Ag1 Ag5 123.00(6) . . ?
Ag7 Ag1 Ag2 60.33(4) 7_666 . ?
Ag7 Ag1 Ag5 118.83(6) 7_666 . ?
S1 Ag1 Ag2 53.94(11) . . ?
S1 Ag1 Ag5 77.10(13) . . ?
S1 Ag1 Ag7 105.91(11) . 7_666 ?
S1 Ag1 S3 127.13(16) . 7_666 ?
S1 Ag1 O9 94.7(5) . . ?
S3 Ag1 Ag2 109.03(10) 7_666 . ?
S3 Ag1 Ag5 76.48(11) 7_666 . ?
S3 Ag1 Ag7 52.76(10) 7_666 7_666 ?
O4 Ag1 Ag2 82.2(4) . . ?
O4 Ag1 Ag5 150.9(4) . . ?
O4 Ag1 Ag7 85.0(4) . 7_666 ?
O4 Ag1 S1 114.3(5) . . ?
O4 Ag1 S3 111.0(5) . 7_666 ?
O4 Ag1 O9 105.0(6) . . ?
O9 Ag1 Ag2 146.8(4) . . ?
O9 Ag1 Ag5 46.0(5) . . ?
O9 Ag1 Ag7 151.1(4) . 7_666 ?
O9 Ag1 S3 98.6(4) . 7_666 ?
Ag1 Ag2 Ag3 99.61(6) . . ?
Ag6 Ag2 Ag1 142.94(7) 7_666 . ?
Ag6 Ag2 Ag3 60.85(5) 7_666 . ?
Ag7 Ag2 Ag1 58.96(4) 7_666 . ?
Ag7 Ag2 Ag3 119.50(6) 7_666 . ?
Ag7 Ag2 Ag6 101.29(5) 7_666 7_666 ?
S1 Ag2 Ag1 52.52(11) . . ?
S1 Ag2 Ag3 52.53(11) . . ?
S1 Ag2 Ag6 112.88(12) . 7_666 ?
S1 Ag2 Ag7 103.51(12) . 7_666 ?
S1 Ag2 S2 139.43(15) . 7_666 ?
S2 Ag2 Ag1 110.38(10) 7_666 . ?
S2 Ag2 Ag3 107.23(10) 7_666 . ?
S2 Ag2 Ag6 55.38(9) 7_666 7_666 ?
S2 Ag2 Ag7 51.77(9) 7_666 7_666 ?
O2 Ag2 Ag1 151.0(6) . . ?
O2 Ag2 Ag3 75.6(6) . . ?
O2 Ag2 Ag6 59.6(6) . 7_666 ?
O2 Ag2 Ag7 148.2(5) . 7_666 ?
O2 Ag2 S1 107.4(5) . . ?
O2 Ag2 S2 98.2(6) . 7_666 ?
O3 Ag2 Ag1 79.2(4) . . ?
O3 Ag2 Ag3 156.5(4) . . ?
O3 Ag2 Ag6 131.6(4) . 7_666 ?
O3 Ag2 Ag7 80.3(4) . 7_666 ?
O3 Ag2 S1 113.6(4) . . ?
O3 Ag2 S2 94.9(4) . 7_666 ?
O3 Ag2 O2 93.9(7) . . ?
Ag2 Ag3 Ag6 58.40(4) . 7_666 ?
Ag4 Ag3 Ag2 101.12(6) . . ?
Ag4 Ag3 Ag6 143.33(7) . 7_666 ?
Ag4 Ag3 Ag7 58.03(5) . . ?
Ag7 Ag3 Ag2 107.07(6) . . ?
Ag7 Ag3 Ag6 96.62(5) . 7_666 ?
S1 Ag3 Ag2 52.71(11) . . ?
S1 Ag3 Ag4 53.48(12) . . ?
S1 Ag3 Ag6 110.61(12) . 7_666 ?
S1 Ag3 Ag7 95.59(12) . . ?
S1 Ag3 S3 131.04(15) . . ?
S3 Ag3 Ag2 98.15(11) . . ?
S3 Ag3 Ag4 109.91(11) . . ?
S3 Ag3 Ag6 51.80(11) . 7_666 ?
S3 Ag3 Ag7 51.88(10) . . ?
O1 Ag3 Ag2 84.3(5) . . ?
O1 Ag3 Ag4 142.9(6) . . ?
O1 Ag3 Ag6 70.1(6) . 7_666 ?
O1 Ag3 Ag7 155.1(5) . . ?
O1 Ag3 S1 108.7(5) . . ?
O1 Ag3 S3 105.5(6) . . ?
O1 Ag3 O5 89.1(7) . . ?
O5 Ag3 Ag2 161.5(4) . . ?
O5 Ag3 Ag4 74.1(4) . . ?
O5 Ag3 Ag6 134.7(4) . 7_666 ?
O5 Ag3 Ag7 85.9(4) . . ?
O5 Ag3 S1 114.1(4) . . ?
O5 Ag3 S3 100.3(4) . . ?
Ag5 Ag4 Ag3 129.98(7) . . ?
Ag7 Ag4 Ag3 61.13(5) . . ?
Ag7 Ag4 Ag5 105.94(6) . . ?
S1 Ag4 Ag3 53.76(11) . . ?
S1 Ag4 Ag5 84.74(12) . . ?
S1 Ag4 Ag7 98.16(11) . . ?
S1 Ag4 S2 109.05(14) . . ?
S2 Ag4 Ag3 107.26(10) . . ?
S2 Ag4 Ag5 56.97(9) . . ?
S2 Ag4 Ag7 52.50(9) . . ?
O6 Ag4 Ag3 87.5(4) . . ?
O6 Ag4 Ag5 142.4(4) . . ?
O6 Ag4 Ag7 93.6(4) . . ?
O6 Ag4 S1 124.4(5) . . ?
O6 Ag4 S2 120.7(5) . . ?
O6 Ag4 O10 93.7(6) . . ?
O10 Ag4 Ag3 150.5(4) . . ?
O10 Ag4 Ag5 53.4(4) . . ?
O10 Ag4 Ag7 147.9(4) . . ?
O10 Ag4 S1 103.3(4) . . ?
O10 Ag4 S2 97.4(4) . . ?
Ag4 Ag5 Ag1 82.62(6) . . ?
Ag6 Ag5 Ag1 83.29(6) . . ?
Ag6 Ag5 Ag4 108.34(6) . . ?
S2 Ag5 Ag1 98.13(10) . . ?
S2 Ag5 Ag4 56.43(10) . . ?
S2 Ag5 Ag6 56.93(9) . . ?
O7 Ag5 Ag1 125.3(6) . . ?
O7 Ag5 Ag4 151.8(6) . . ?
O7 Ag5 Ag6 81.1(5) . . ?
O7 Ag5 S2 115.4(5) . . ?
O7 Ag5 O9 91.8(6) . . ?
O7 Ag5 O10 105.7(7) . . ?
O9 Ag5 Ag1 48.2(4) . . ?
O9 Ag5 Ag4 107.9(4) . . ?
O9 Ag5 Ag6 112.4(4) . . ?
O9 Ag5 S2 146.2(4) . . ?
O9 Ag5 O10 93.4(6) . . ?
O10 Ag5 Ag1 111.2(4) . . ?
O10 Ag5 Ag4 54.5(3) . . ?
O10 Ag5 Ag6 153.3(4) . . ?
O10 Ag5 S2 97.8(4) . . ?
Ag2 Ag6 Ag3 60.75(4) 7_666 7_666 ?
Ag5 Ag6 Ag2 111.69(7) . 7_666 ?
Ag5 Ag6 Ag3 132.00(7) . 7_666 ?
S2 Ag6 Ag2 55.02(9) . 7_666 ?
S2 Ag6 Ag3 106.84(10) . 7_666 ?
S2 Ag6 Ag5 58.61(10) . . ?
S3 Ag6 Ag2 101.17(11) 7_666 7_666 ?
S3 Ag6 Ag3 53.22(10) 7_666 7_666 ?
S3 Ag6 Ag5 86.97(11) 7_666 . ?
S3 Ag6 S2 110.22(14) 7_666 . ?
O8 Ag6 Ag2 136.8(5) . 7_666 ?
O8 Ag6 Ag3 137.5(4) . 7_666 ?
O8 Ag6 Ag5 83.0(4) . . ?
O8 Ag6 S2 113.2(4) . . ?
O8 Ag6 S3 120.6(5) . 7_666 ?
Ag1 Ag7 Ag2 60.72(5) 7_666 7_666 ?
Ag1 Ag7 Ag3 104.69(6) 7_666 . ?
Ag2 Ag7 Ag3 133.42(6) 7_666 . ?
Ag4 Ag7 Ag1 154.11(7) . 7_666 ?
Ag4 Ag7 Ag2 111.86(6) . 7_666 ?
Ag4 Ag7 Ag3 60.84(5) . . ?
S2 Ag7 Ag1 116.68(11) . 7_666 ?
S2 Ag7 Ag2 56.35(10) . 7_666 ?
S2 Ag7 Ag3 112.44(11) . . ?
S2 Ag7 Ag4 58.73(10) . . ?
S3 Ag7 Ag1 54.60(11) . 7_666 ?
S3 Ag7 Ag2 111.09(11) . 7_666 ?
S3 Ag7 Ag3 54.58(11) . . ?
S3 Ag7 Ag4 115.41(12) . . ?
S3 Ag7 S2 151.27(15) . . ?
O11 Ag7 Ag1 105.2(6) . 7_666 ?
O11 Ag7 Ag2 115.4(6) . 7_666 ?
O11 Ag7 Ag3 111.1(6) . . ?
O11 Ag7 Ag4 100.2(6) . . ?
O11 Ag7 S2 106.5(6) . . ?
O11 Ag7 S3 102.2(6) . . ?
Ag1 S1 Ag2 73.54(13) . . ?
Ag1 S1 Ag3 135.60(18) . . ?
Ag1 S1 Ag4 112.1(2) . . ?
Ag3 S1 Ag2 74.76(13) . . ?
Ag4 S1 Ag2 136.05(18) . . ?
Ag4 S1 Ag3 72.76(13) . . ?
C1 S1 Ag1 110.8(7) . . ?
C1 S1 Ag2 109.2(9) . . ?
C1 S1 Ag3 108.6(8) . . ?
C1 S1 Ag4 108.7(8) . . ?
Ag2 S2 Ag4 135.14(16) 7_666 . ?
Ag2 S2 Ag5 131.11(16) 7_666 . ?
Ag2 S2 Ag6 69.60(11) 7_666 . ?
Ag4 S2 Ag5 66.60(11) . . ?
Ag6 S2 Ag4 124.03(16) . . ?
Ag6 S2 Ag5 64.46(10) . . ?
Ag7 S2 Ag2 71.88(11) . 7_666 ?
Ag7 S2 Ag4 68.77(11) . . ?
Ag7 S2 Ag5 129.52(17) . . ?
Ag7 S2 Ag6 130.22(16) . . ?
C4 S2 Ag2 103.0(6) . 7_666 ?
C4 S2 Ag4 107.9(6) . . ?
C4 S2 Ag5 108.8(6) . . ?
C4 S2 Ag6 112.1(7) . . ?
C4 S2 Ag7 106.3(7) . . ?
Ag1 S3 Ag3 136.67(17) 7_666 . ?
Ag6 S3 Ag1 110.11(17) 7_666 7_666 ?
Ag6 S3 Ag3 74.98(13) 7_666 . ?
Ag7 S3 Ag1 72.64(13) . 7_666 ?
Ag7 S3 Ag3 73.54(12) . . ?
Ag7 S3 Ag6 132.16(18) . 7_666 ?
C7 S3 Ag1 112.3(6) . 7_666 ?
C7 S3 Ag3 103.7(6) . . ?
C7 S3 Ag6 113.1(7) . 7_666 ?
C7 S3 Ag7 108.8(7) . . ?
C10 O1 Ag3 120.5(16) . . ?
C10 O2 Ag2 128.6(19) . . ?
C12 O3 Ag2 124.9(14) . . ?
C12 O4 Ag1 123.4(15) . . ?
C16 O5 Ag3 131.2(14) . . ?
C16 O6 Ag4 119.8(14) . . ?
C14 O7 Ag5 122.6(15) . . ?
C14 O8 Ag6 123.7(16) . . ?
Ag5 O9 Ag1 85.8(5) . . ?
C18 O9 Ag1 141.5(18) . . ?
C18 O9 Ag5 121.8(17) . . ?
Ag5 O10 Ag4 72.1(3) . . ?
C21 O10 Ag4 157(2) . . ?
C21 O10 Ag5 111.3(14) . . ?
C24 O10 Ag4 109.5(19) . . ?
C24 O10 Ag5 178(2) . . ?
C27 O11 Ag7 143(2) . . ?
C28 O11 Ag7 152(3) . . ?
C18 N1 C19 119(2) . . ?
C18 N1 C20 116(2) . . ?
C19 N1 C20 124(2) . . ?
C21 N2 C22 118(2) . . ?
C21 N2 C23 124(3) . . ?
C21 N2 C25 175(3) . 2_656 ?
C23 N2 C22 118(3) . . ?
C24 N2 C26 116(3) . . ?
C25 N2 C26 117(4) 2_656 . ?
C27 N3 C30 134(4) . . ?
C27 N3 C32 105(3) . . ?
C28 N3 C29 100(4) . . ?
C28 N3 C31 142(4) . . ?
C30 N3 C32 121(4) . . ?
C31 N3 C29 117(5) . . ?
S1 C1 H1 104.3 . . ?
C2 C1 S1 111.4(18) . . ?
C2 C1 H1 104.3 . . ?
C3 C1 S1 111.9(18) . . ?
C3 C1 H1 104.3 . . ?
C3 C1 C2 119(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
S2 C4 H4 108.4 . . ?
C5 C4 S2 108.9(13) . . ?
C5 C4 H4 108.4 . . ?
C6 C4 S2 108.8(13) . . ?
C6 C4 H4 108.4 . . ?
C6 C4 C5 113.9(19) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
S3 C7 H7 107.8 . . ?
C8 C7 S3 108.7(14) . . ?
C8 C7 H7 107.8 . . ?
C9 C7 S3 110.1(15) . . ?
C9 C7 H7 107.8 . . ?
C9 C7 C8 114(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O1 C10 C11 113(2) . . ?
O2 C10 O1 129(2) . . ?
O2 C10 C11 118(2) . . ?
F1 C11 C10 114(2) . . ?
F2 C11 F1 105(2) . . ?
F2 C11 F3 105(2) . . ?
F2 C11 C10 112(2) . . ?
F3 C11 F1 108(3) . . ?
F3 C11 C10 112(2) . . ?
O3 C12 C13 114.1(18) . . ?
O4 C12 O3 130(2) . . ?
O4 C12 C13 116.1(19) . . ?
F4 C13 F5 95(2) . . ?
F4 C13 C12 116(2) . . ?
F5 C13 C12 112(2) . . ?
F6 C13 F4 115(3) . . ?
F6 C13 F5 100(3) . . ?
F6 C13 C12 115(2) . . ?
O7 C14 C15 114(2) . . ?
O8 C14 O7 129(2) . . ?
O8 C14 C15 117(2) . . ?
F7 C15 F8 104(2) . . ?
F7 C15 C14 112(2) . . ?
F8 C15 C14 111.3(19) . . ?
F9 C15 F7 108(3) . . ?
F9 C15 F8 107(2) . . ?
F9 C15 C14 114(2) . . ?
O5 C16 O6 127(2) . . ?
O5 C16 C17 116.5(18) . . ?
O6 C16 C17 116.1(19) . . ?
F10 C17 F11 107(3) . . ?
F10 C17 F12 108(2) . . ?
F10 C17 C16 115(2) . . ?
F11 C17 F12 101(2) . . ?
F11 C17 C16 113(2) . . ?
F12 C17 C16 113(2) . . ?
O9 C18 N1 124(2) . . ?
O9 C18 H18 118.0 . . ?
N1 C18 H18 118.0 . . ?
N1 C19 H19A 109.5 . . ?
N1 C19 H19B 109.5 . . ?
N1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C20 H20A 109.5 . . ?
N1 C20 H20B 109.5 . . ?
N1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O10 C21 N2 117(2) . . ?
O10 C21 H21 121.6 . . ?
N2 C21 H21 121.6 . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O10 C24 N2 118(3) . . ?
O10 C24 H24 120.8 . . ?
N2 C24 H24 120.8 . . ?
N2 C25 H25A 109.5 2_656 . ?
N2 C25 H25B 109.5 2_656 . ?
N2 C25 H25C 109.5 2_656 . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N2 C26 H26A 109.5 . . ?
N2 C26 H26B 109.5 . . ?
N2 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O11 C27 N3 122(3) . . ?
O11 C27 H27 119.1 . . ?
N3 C27 H27 119.1 . . ?
O11 C28 N3 121(4) . . ?
O11 C28 H28 119.6 . . ?
N3 C28 H28 119.6 . . ?
N3 C29 H29A 109.5 . . ?
N3 C29 H29B 109.5 . . ?
N3 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N3 C30 H30A 109.5 . . ?
N3 C30 H30B 109.5 . . ?
N3 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N3 C31 H31A 99.1 . . ?
N3 C31 H31B 119.1 . . ?
N3 C31 H31C 109.7 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.4 . . ?
N3 C32 H32A 109.9 . . ?
N3 C32 H32B 102.7 . . ?
N3 C32 H32C 115.7 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 S1 C1 C2 -168(2) . . . . ?
Ag1 S1 C1 C3 56(3) . . . . ?
Ag1 S3 C7 C8 -140.5(16) 7_666 . . . ?
Ag1 S3 C7 C9 -14(2) 7_666 . . . ?
Ag1 O4 C12 O3 8(3) . . . . ?
Ag1 O4 C12 C13 -174.2(16) . . . . ?
Ag1 O9 C18 N1 59(4) . . . . ?
Ag2 S1 C1 C2 113(2) . . . . ?
Ag2 S1 C1 C3 -23(3) . . . . ?
Ag2 S2 C4 C5 -169.7(14) 7_666 . . . ?
Ag2 S2 C4 C6 65.6(16) 7_666 . . . ?
Ag2 O2 C10 O1 -18(4) . . . . ?
Ag2 O2 C10 C11 151.2(19) . . . . ?
Ag2 O3 C12 O4 -3(3) . . . . ?
Ag2 O3 C12 C13 179.7(15) . . . . ?
Ag3 S1 C1 C2 33(2) . . . . ?
Ag3 S1 C1 C3 -103(3) . . . . ?
Ag3 S3 C7 C8 64.1(17) . . . . ?
Ag3 S3 C7 C9 -169.8(18) . . . . ?
Ag3 O1 C10 O2 5(4) . . . . ?
Ag3 O1 C10 C11 -164.5(16) . . . . ?
Ag3 O5 C16 O6 -1(3) . . . . ?
Ag3 O5 C16 C17 -179.9(14) . . . . ?
Ag4 S1 C1 C2 -44(2) . . . . ?
Ag4 S1 C1 C3 180(3) . . . . ?
Ag4 S2 C4 C5 -22.6(17) . . . . ?
Ag4 S2 C4 C6 -147.4(15) . . . . ?
Ag4 O6 C16 O5 0(3) . . . . ?
Ag4 O6 C16 C17 179.2(14) . . . . ?
Ag4 O10 C21 N2 -87(5) . . . . ?
Ag4 O10 C24 N2 156(3) . . . . ?
Ag5 S2 C4 C5 48.0(16) . . . . ?
Ag5 S2 C4 C6 -76.7(16) . . . . ?
Ag5 O7 C14 O8 9(4) . . . . ?
Ag5 O7 C14 C15 -171.2(16) . . . . ?
Ag5 O9 C18 N1 -171.2(17) . . . . ?
Ag5 O10 C21 N2 178(2) . . . . ?
Ag6 S2 C4 C5 117.3(15) . . . . ?
Ag6 S2 C4 C6 -7.4(17) . . . . ?
Ag6 S3 C7 C8 -15.2(18) 7_666 . . . ?
Ag6 S3 C7 C9 110.9(19) 7_666 . . . ?
Ag6 O8 C14 O7 0(4) . . . . ?
Ag6 O8 C14 C15 179.6(15) . . . . ?
Ag7 S2 C4 C5 -95.1(15) . . . . ?
Ag7 S2 C4 C6 140.2(15) . . . . ?
Ag7 S3 C7 C8 141.1(16) . . . . ?
Ag7 S3 C7 C9 -92.8(19) . . . . ?
Ag7 O11 C27 N3 172(2) . . . . ?
Ag7 O11 C28 N3 -169(3) . . . . ?
O1 C10 C11 F1 -39(3) . . . . ?
O1 C10 C11 F2 79(3) . . . . ?
O1 C10 C11 F3 -163(2) . . . . ?
O2 C10 C11 F1 150(3) . . . . ?
O2 C10 C11 F2 -92(3) . . . . ?
O2 C10 C11 F3 26(4) . . . . ?
O3 C12 C13 F4 56(3) . . . . ?
O3 C12 C13 F5 -53(3) . . . . ?
O3 C12 C13 F6 -165(3) . . . . ?
O4 C12 C13 F4 -122(3) . . . . ?
O4 C12 C13 F5 130(2) . . . . ?
O4 C12 C13 F6 17(4) . . . . ?
O5 C16 C17 F10 -163(3) . . . . ?
O5 C16 C17 F11 75(3) . . . . ?
O5 C16 C17 F12 -39(3) . . . . ?
O6 C16 C17 F10 18(3) . . . . ?
O6 C16 C17 F11 -104(3) . . . . ?
O6 C16 C17 F12 142(2) . . . . ?
O7 C14 C15 F7 -71(3) . . . . ?
O7 C14 C15 F8 173(2) . . . . ?
O7 C14 C15 F9 52(3) . . . . ?
O8 C14 C15 F7 109(3) . . . . ?
O8 C14 C15 F8 -7(3) . . . . ?
O8 C14 C15 F9 -128(3) . . . . ?
C19 N1 C18 O9 179(3) . . . . ?
C20 N1 C18 O9 4(4) . . . . ?
C22 N2 C21 O10 -5(4) . . . . ?
C23 N2 C21 O10 179(3) . . . . ?
C25 N2 C24 O10 175(4) 2_656 . . . ?
C26 N2 C24 O10 3(6) . . . . ?
C29 N3 C28 O11 171(7) . . . . ?
C30 N3 C27 O11 -2(8) . . . . ?
C31 N3 C28 O11 2(13) . . . . ?
C32 N3 C27 O11 178(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.064
_oxdiff_exptl_absorpt_empirical_full_min 0.458
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.7784(16)
2 0.2216(16)

####################################################################### 
# 
# 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_ag24
_database_code_depnum_ccdc_archive 'CCDC 2182449'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-06-28 deposited with the CCDC.	2022-08-29 downloaded from the CCDC.
;
_audit_creation_date             2022-01-03
_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         
'C64.58 H104.01 Ag24 F30 N6.86 O26.86 S9, 1.14(C3 H7 N O)'
_chemical_formula_sum            'C68 H112 Ag24 F30 N8 O28 S9'
_chemical_formula_weight         4937.07
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     ' '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.2139(5)
_cell_length_b                   15.6549(4)
_cell_length_c                   17.3498(6)
_cell_angle_alpha                94.120(2)
_cell_angle_beta                 110.998(3)
_cell_angle_gamma                104.208(2)
_cell_volume                     3439.1(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    16209
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      27.6900
_cell_measurement_theta_min      2.4990
_shelx_estimated_absorpt_T_max   0.842
_shelx_estimated_absorpt_T_min   0.717
_exptl_absorpt_coefficient_mu    3.562
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.15904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.384
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2342
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.844
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            54748
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.844
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.338
_diffrn_reflns_theta_min         2.026
_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 0.997
_diffrn_measured_fraction_theta_max 0.844
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     23.00  64.00   0.50    2.50    --    3.80  38.00-150.00   82
  2  ω    -26.00  88.00   0.50    2.50    --    3.80  57.00 -30.00  228
  3  ω    -25.00   2.00   0.50    2.50    --    3.80  57.00 120.00   54
  4  ω     11.00  89.00   0.50    2.50    --    3.80  57.00 120.00  156
  5  ω    -31.00  27.00   0.50    2.50    --    3.80  77.00-120.00  116
  6  ω     31.00  80.00   0.50    2.50    --    3.80  77.00-120.00   98
  7  ω    -19.00  80.00   0.50    2.50    --    3.80  57.00  30.00  198
  8  ω     39.00  92.00   0.50    2.50    --    3.80  82.00  60.00  106
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0497147000
_diffrn_orient_matrix_UB_12      -0.0050133000
_diffrn_orient_matrix_UB_13      -0.0323856000
_diffrn_orient_matrix_UB_21      -0.0240448000
_diffrn_orient_matrix_UB_22      -0.0051963000
_diffrn_orient_matrix_UB_23      0.0295011000
_diffrn_orient_matrix_UB_31      0.0084907000
_diffrn_orient_matrix_UB_32      0.0469320000
_diffrn_orient_matrix_UB_33      0.0077545000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10916
_reflns_number_total             15940
_reflns_odcompleteness_completeness 99.49
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.152
_refine_diff_density_min         -1.673
_refine_diff_density_rms         0.227
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1093
_refine_ls_number_reflns         15940
_refine_ls_number_restraints     1065
_refine_ls_R_factor_all          0.1009
_refine_ls_R_factor_gt           0.0727
_refine_ls_restrained_S_all      1.066
_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)+(0.1467P)²+16.3668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2291
_refine_ls_wR_factor_ref         0.2493
_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
 C16-C15
 1.51 with sigma of 0.01
 O5-C16 = O7-C16
 1.25 with sigma of 0.01
 F3-C15 = F5-C15 = F6-C15
 1.35 with sigma of 0.01
 F7-C15 = F8-C15 = F9-C15
 1.35 with sigma of 0.01
 F10-C17 = F12-C17 = F11-C17
 1.35 with sigma of 0.01
 O11-C14 = O13-C14 = O4-C14
 1.25 with sigma of 0.01
 C17-C14
 1.51 with sigma of 0.01
 C19-C5
 1.51 with sigma of 0.01
 O9-C5 = O1-C5 = O1-C18 = O14-C18
 1.25 with sigma of 0.01
 C20-C18
 1.51 with sigma of 0.01
 F20-C20 = F19-C20 = F21-C20
 1.35 with sigma of 0.01
 F16-C19 = F18-C19 = F17-C19
 1.35 with sigma of 0.01
 C12-C1 = C7-C1
 1.53 with sigma of 0.01
 C23-C8 = C24-C8
 1.53 with sigma of 0.01
 C3-C2 = C4-C3
 1.53 with sigma of 0.01
 C24-C23
 2.5 with sigma of 0.02
 C27-C6 = C28-C6
 1.53 with sigma of 0.01
 C30-C6
 1.53 with sigma of 0.01
 N2-C31
 1.35 with sigma of 0.01
 S3_$1-C30_$1
 2.5 with sigma of 0.02
 Ag3-C26
 3.3 with sigma of 0.02
 C34-C13
 1.51 with sigma of 0.01
 O8-C13 = O15-C13 = O3-C13
 1.2 with sigma of 0.01
 F23-C34 = F24-C34 = F22-C34
 1.35 with sigma of 0.01
 O16-C37
 1.2 with sigma of 0.01
 O17-C39
 1.2 with sigma of 0.02
 N4-C39
 1.45 with sigma of 0.02
 O18-C42
 1.2 with sigma of 0.02
 N5-C42
 1.4 with sigma of 0.01
 Ag9-O18
 2.45 with sigma of 0.01
 C45-O20
 1.2 with sigma of 0.02
 N6-C46 = N6-C47 = N6-C45
 1.45 with sigma of 0.01
 O19-C45
 1.2 with sigma of 0.01
 C26-C8 = C25-C8
 1.53 with sigma of 0.01
 C26-C25
 2.5 with sigma of 0.02
 O12-C31
 1.2 with sigma of 0.02
 N4-C40
 1.45 with sigma of 0.02
 N3-C37 = N3-C36
 1.45 with sigma of 0.01
 N4-C38
 1.45 with sigma of 0.02
 N3-C41
 1.45 with sigma of 0.02
 C38-C40
 2.5 with sigma of 0.02
 N5-C43 = N5-C44
 1.45 with sigma of 0.01
 O18-C43
 2.7 with sigma of 0.02
 O18-C44
 3.5 with sigma of 0.02
 C44-C43
 2.6 with sigma of 0.02
 N2-C32 = N2-C33
 1.45 with sigma of 0.01
 N1-C10 = N1-C21 = N1-C22
 1.45 with sigma of 0.01
 C29-C6
 1.53 with sigma of 0.01
 F3-F6 \\sim F3-F5 \\sim F6-F5 \\sim F7-F9 \\sim F7-F8 \\sim F9-F8
 with sigma of 0.02
 F11-F12 \\sim F11-F10 \\sim F12-F10
 with sigma of 0.02
 C17-F10 \\sim C17-F13
 with sigma of 0.02
 C17-F11 \\sim C17-F15
 with sigma of 0.02
 C17-F12 \\sim C17-F14
 with sigma of 0.02
 C14-F15 \\sim F14-C14 \\sim F13-C14
 with sigma of 0.02
 O1-C20 \\sim C20-O14
 with sigma of 0.02
 C18-F19 \\sim F20-C18 \\sim F21-C18
 with sigma of 0.02
 F19-F20 \\sim F19-F21 \\sim F20-F21
 with sigma of 0.02
 F16-F17 \\sim F16-F18 \\sim F17-F18
 with sigma of 0.02
 O3-C34 \\sim C34-O15
 with sigma of 0.02
 C13-F22 \\sim C13-F23 \\sim C13-F24
 with sigma of 0.02
 F22-F23 \\sim F22-F24 \\sim F23-F24
 with sigma of 0.02
 C34-F22 \\sim C34-F26
 with sigma of 0.02
 C34-F23 \\sim C34-F27
 with sigma of 0.02
 C34-F24 \\sim C34-F25
 with sigma of 0.02
 N1-C35 \\sim N1-C22
 with sigma of 0.02
3. Restrained planarity
 O1, O14, C18, C20
 with sigma of 0.1
 Ag1B, Ag2, O3, O15, C13, C34
 with sigma of 0.1
 O19, O20, N6, C45, C46, C47
 with sigma of 0.1
 O18, N5, C42, C43, C44
 with sigma of 0.1
4. Rigid bond restraints
 F3, F5, F6, F7, F8, F9, C15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 F10, F11, F12, F13, F14, F15, C17
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 F16, F17, F18, F19, F20, F21, O1, O9, O14, C5, C18, C19, C20
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O4, O11, O13, C14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C8
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 F22, F23, F24, F25, F26, F27, O3, O8, O15, C13, C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O19, O20, N6, C45, C46, C47
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C8, C24, C25, C26
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O17, N4, C38, C39, C40, O16, N3, C36, C37, C41
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O10, N1, C10, C21, C22, C35
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
Ag10 \\sim O19 \\sim O20 \\sim N6 \\sim C45 \\sim C46 \\sim C47: within 3A with
sigma of 0.01 and sigma for terminal atoms of 0.01
C8 \\sim C23 \\sim C24 \\sim C25 \\sim C26: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.01
O18 \\sim N5 \\sim C42 \\sim C43 \\sim C44: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.01
O12 \\sim N2 \\sim C31 \\sim C32 \\sim C33: within 3A with sigma of 0.01 and
sigma for terminal atoms of 0.01
C6 \\sim C27 \\sim C28 \\sim C29 \\sim C30: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.01
O10 \\sim Ag5: within 3A with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(O5) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F5) \\sim
Ueq, Uanis(F6) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(F7)
\\sim Ueq, Uanis(F8) \\sim Ueq, Uanis(F9) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O4) \\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C17)
\\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq, Uanis(F12) \\sim Ueq,
Uanis(O13) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(F15)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C5) \\sim Ueq, Uanis(O9) \\sim Ueq, Uanis(O14) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq,
Uanis(F18) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(F19) \\sim Ueq, Uanis(F20)
\\sim Ueq, Uanis(F21) \\sim Ueq, Uanis(O1) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C34)
\\sim Ueq, Uanis(O15) \\sim Ueq, Uanis(F22) \\sim Ueq, Uanis(F23) \\sim Ueq,
Uanis(F24) \\sim Ueq, Uanis(F25) \\sim Ueq, Uanis(F26) \\sim Ueq, Uanis(F27)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F4) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(O2) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O19) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(O20) \\sim Ueq, Uanis(N6)
\\sim Ueq, Uanis(C46) \\sim Ueq, Uanis(C47) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C25) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C23)
\\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C7) \\sim Ueq,
Uanis(C2) \\sim Ueq, Uanis(C4) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C35) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C38)
\\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq,
Uanis(C41) \\sim Ueq, Uanis(O17) \\sim Ueq, Uanis(O16) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O18) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(N5) \\sim Ueq, Uanis(C44)
\\sim Ueq, Uanis(C43) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O12) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(C32)
\\sim Ueq, Uanis(C33) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C27)
\\sim Ueq, Uanis(C28) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C10) \\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(N1)
\\sim Ueq, Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
6. Others
 Sof(Ag1)=1-FVAR(1)
 Sof(Ag12)=FVAR(1)
 Sof(Ag1B)=1-FVAR(2)
 Sof(Ag1A)=FVAR(2)
 Sof(F7)=Sof(F8)=Sof(F9)=1-FVAR(3)
 Sof(F3)=Sof(F5)=Sof(F6)=FVAR(3)
 Sof(O13)=1-FVAR(4)
 Sof(O11)=FVAR(4)
 Sof(F13)=Sof(F14)=Sof(F15)=1-FVAR(5)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(5)
 Sof(F19)=Sof(F20)=Sof(F21)=Sof(O14)=Sof(C18)=Sof(C20)=1-FVAR(6)
 Sof(F16)=Sof(F17)=Sof(F18)=Sof(O9)=Sof(C5)=Sof(C19)=FVAR(6)
 Sof(H8B)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=Sof(C26)=Sof(H26A)=Sof(H26B)=
 Sof(H26C)=1-FVAR(7)
 Sof(H8A)=Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=
 Sof(H24C)=FVAR(7)
 Sof(H6B)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=Sof(H29A)=Sof(H29B)=
 Sof(H29C)=1-FVAR(8)
 Sof(H6A)=Sof(C27)=Sof(H27A)=Sof(H27B)=Sof(H27C)=Sof(C30)=Sof(H30A)=Sof(H30B)=
 Sof(H30C)=FVAR(8)
 Sof(F25)=Sof(F26)=Sof(F27)=1-FVAR(9)
 Sof(F22)=Sof(F23)=Sof(F24)=FVAR(9)
 Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=1-FVAR(10)
 Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=FVAR(10)
 Sof(O17)=Sof(N4)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(H38C)=Sof(C39)=Sof(H39)=
 Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(H40C)=1-FVAR(11)
 Sof(O16)=Sof(N3)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(H36C)=Sof(C37)=Sof(H37)=
 Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=FVAR(11)
 Fixed Sof: O8(0.5) O12(0.75) O15(0.5) O18(0.25) O19(0.5) O20(0.5) N2(0.75)
 N5(0.25) C31(0.75) H31(0.75) C32(0.75) H32A(0.75) H32B(0.75) H32C(0.75)
 C33(0.75) H33A(0.75) H33B(0.75) H33C(0.75) C42(0.25) H42(0.25) C43(0.25)
 H43A(0.25) H43B(0.25) H43C(0.25) C44(0.25) H44A(0.25) H44B(0.25) H44C(0.25)
 H45(0.5) H45A(0.5)
7.a Riding coordinates:
 C22(H22A,H22B,H22C), C25(H25A,H25B,H25C), C29(H29A,H29B,H29C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C35(H35A,H35B,H35C), C38(H38A,H38B,H38C), C40(H40A,
 H40B,H40C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C36(H36A,H36B,H36C),
 C41(H41A,H41B,H41C)
7.b Ternary CH refined with riding coordinates:
 C1(H1), C3(H3), C6(H6A), C6(H6B), C8(H8A), C8(H8B)
7.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C31(H31), C39(H39), C42(H42), C45(H45), C45(H45A), C37(H37)
7.d Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C7(H7A,H7B,H7C), C12(H12A,H12B,H12C),
 C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,
 H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C46(H46A,
 H46B,H46C), C47(H47A,H47B,H47C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
Ag1A Ag 0.6875(7) 0.6208(5) 0.7955(6) 0.039(3) Uani 0.48(9) 1 d . . . A 1
Ag1B Ag 0.6983(17) 0.6182(7) 0.8002(9) 0.068(3) Uani 0.52(9) 1 d . . . A 2
Ag2 Ag 0.71608(7) 0.80025(5) 0.83579(5) 0.0555(2) Uani 1 1 d . . . . .
Ag3 Ag 0.51370(6) 0.68600(5) 0.74951(5) 0.0534(2) Uani 1 1 d D . . . .
Ag4 Ag 0.61161(7) 0.80660(5) 0.66789(5) 0.0541(2) Uani 1 1 d . . . . .
Ag5 Ag 0.78931(7) 0.74208(6) 0.71749(5) 0.0573(2) Uani 1 1 d . U . . .
Ag6 Ag 0.58315(6) 0.62191(5) 0.62816(4) 0.0476(2) Uani 1 1 d . . . . .
Ag7 Ag 0.69127(8) 0.75683(7) 0.53044(6) 0.0688(3) Uani 1 1 d . . . . .
Ag8 Ag 0.37570(7) 0.68984(6) 0.56262(6) 0.0627(2) Uani 1 1 d . . . . .
Ag9 Ag 0.47238(7) 0.48168(6) 0.71963(6) 0.0631(2) Uani 1 1 d D . . . .
Ag10 Ag 0.78053(7) 0.54204(6) 0.68227(6) 0.0644(3) Uani 1 1 d . U . . .
Ag11 Ag 0.67583(9) 0.53763(8) 0.47526(7) 0.0894(4) Uani 1 1 d . . . . .
Ag12 Ag 0.5551(4) 0.3607(8) 0.5973(6) 0.0752(17) Uani 0.64(4) 1 d . . . A 1
Ag1 Ag 0.5482(5) 0.3881(12) 0.5746(12) 0.071(3) Uani 0.36(4) 1 d . . . A 2
S1 S 0.34968(19) 0.56907(17) 0.64655(16) 0.0494(5) Uani 1 1 d . . . . .
S2 S 0.5103(2) 0.76872(16) 0.50951(14) 0.0497(6) Uani 1 1 d . . . . .
S3 S 0.8035(2) 0.65754(19) 0.59119(17) 0.0553(6) Uani 1 1 d D . . . .
S4 S 0.6441(2) 0.45600(16) 0.73124(15) 0.0494(6) Uani 1 1 d . . . . .
S5 S 0.500000 0.500000 0.500000 0.0603(10) Uani 1 2 d S T P A .
F1 F 0.3037(15) 0.1819(10) 0.7619(10) 0.177(6) Uani 1 1 d . U . . .
F2 F 0.1775(12) 0.2317(11) 0.7074(13) 0.192(7) Uani 1 1 d . U . . .
F3 F 0.5758(16) 0.9023(17) 1.0388(14) 0.183(10) Uani 0.63(2) 1 d D U . B 1
F4 F 0.2205(13) 0.1473(10) 0.6302(11) 0.190(6) Uani 1 1 d . U . . .
F5 F 0.426(2) 0.8736(18) 0.9298(15) 0.187(10) Uani 0.63(2) 1 d D U . B 1
F6 F 0.462(2) 0.7675(13) 1.0029(15) 0.161(8) Uani 0.63(2) 1 d D U . B 1
F7 F 0.517(4) 0.9278(15) 0.971(3) 0.189(14) Uani 0.37(2) 1 d D U . B 2
F8 F 0.4040(17) 0.799(3) 0.962(2) 0.162(11) Uani 0.37(2) 1 d D U . B 2
F9 F 0.570(2) 0.833(3) 1.0511(14) 0.142(11) Uani 0.37(2) 1 d D U . B 2
F10 F 0.796(2) 1.125(3) 0.791(2) 0.187(12) Uani 0.52(3) 1 d D U . C 1
F11 F 0.752(2) 1.1134(14) 0.8995(10) 0.146(9) Uani 0.52(3) 1 d D U . C 1
F12 F 0.6303(17) 1.1060(15) 0.7746(16) 0.150(10) Uani 0.52(3) 1 d D U . C 1
F13 F 0.819(2) 1.1259(15) 0.8726(19) 0.154(10) Uani 0.48(3) 1 d D U . C 2
F14 F 0.736(3) 1.1402(12) 0.7659(18) 0.152(9) Uani 0.48(3) 1 d D U . C 2
F15 F 0.653(3) 1.089(2) 0.859(3) 0.202(13) Uani 0.48(3) 1 d D U . C 2
F16 F 0.0028(14) 0.6611(14) 0.3769(12) 0.156(7) Uani 0.710(14) 1 d D U . D 1
F17 F 0.0694(16) 0.6730(15) 0.2858(11) 0.162(7) Uani 0.710(14) 1 d D U . D 1
F18 F 0.0204(16) 0.5472(11) 0.3172(14) 0.180(7) Uani 0.710(14) 1 d D U . D 1
F19 F -0.0131(18) 0.655(3) 0.326(3) 0.159(13) Uani 0.290(14) 1 d D U . D 2
F20 F 0.121(3) 0.736(2) 0.314(2) 0.140(12) Uani 0.290(14) 1 d D U . D 2
F21 F 0.120(3) 0.729(2) 0.434(2) 0.148(12) Uani 0.290(14) 1 d D U . D 2
F22 F 0.886(2) 0.679(2) 1.1038(14) 0.202(11) Uani 0.58(2) 1 d D U . E 1
F23 F 0.999(2) 0.6555(18) 1.0507(18) 0.194(11) Uani 0.58(2) 1 d D U . E 1
F24 F 1.0012(19) 0.7953(12) 1.0908(15) 0.177(9) Uani 0.58(2) 1 d D U . E 1
F25 F 0.933(3) 0.760(2) 1.1204(17) 0.153(10) Uani 0.42(2) 1 d D U . E 2
F26 F 0.933(3) 0.6290(17) 1.080(2) 0.146(10) Uani 0.42(2) 1 d D U . E 2
F27 F 1.033(2) 0.726(3) 1.043(2) 0.160(10) Uani 0.42(2) 1 d D U . E 2
O1 O 0.2250(8) 0.5959(7) 0.4123(7) 0.092(3) Uani 1 1 d D U . . .
O2 O 0.3475(12) 0.2995(10) 0.6201(9) 0.130(4) Uani 1 1 d . U . . .
O3 O 0.8437(8) 0.7794(7) 0.9599(7) 0.123(4) Uani 1 1 d D U . . .
O4 O 0.7634(9) 0.9556(6) 0.8385(6) 0.096(3) Uani 1 1 d D U . . .
O5 O 0.6365(8) 0.8369(8) 0.9275(7) 0.104(3) Uani 1 1 d D U . . .
O6 O 0.3613(11) 0.3565(8) 0.7402(8) 0.113(4) Uani 1 1 d . . . . .
O7 O 0.4776(10) 0.7477(9) 0.8527(8) 0.125(4) Uani 1 1 d D U . . .
O8 O 0.7872(15) 0.6370(11) 0.9374(14) 0.083(5) Uani 0.5 1 d D U . A 1
O9 O 0.2066(11) 0.7014(9) 0.4873(9) 0.086(4) Uani 0.710(14) 1 d D U . D 1
O10 O 0.9420(10) 0.8540(9) 0.7750(8) 0.116(3) Uani 1 1 d . U . . .
O11 O 0.674(3) 0.9593(15) 0.7073(9) 0.072(7) Uani 0.47(5) 1 d D U . F 1
O12 O 0.8002(17) 0.9068(14) 0.5536(13) 0.135(5) Uani 0.75 1 d D U . . .
O13 O 0.625(2) 0.9505(14) 0.7178(14) 0.084(7) Uani 0.53(5) 1 d D U . F 2
O14 O 0.093(2) 0.5230(15) 0.3164(19) 0.075(7) Uani 0.290(14) 1 d D U . D 2
O15 O 0.8228(15) 0.6324(11) 0.9273(13) 0.099(7) Uani 0.5 1 d D U . A 2
O17 O 0.298(3) 0.787(2) 0.605(2) 0.141(12) Uani 0.43(2) 1 d D U . D 2
O18 O 0.534(4) 0.518(4) 0.8727(7) 0.128(12) Uani 0.25 1 d D U . A .
O19 O 0.944(2) 0.5705(16) 0.8074(15) 0.127(4) Uani 0.5 1 d D U . A 1
O20 O 0.924(2) 0.6860(19) 0.8183(16) 0.133(4) Uani 0.5 1 d D U . A 2
N1 N 1.0780(11) 0.9658(10) 0.8755(9) 0.114(4) Uani 1 1 d D U . . .
N2 N 0.902(2) 1.0378(15) 0.6340(15) 0.145(5) Uani 0.75 1 d D U . . .
N4 N 0.327(5) 0.913(3) 0.718(3) 0.158(13) Uani 0.43(2) 1 d D U . D 2
N5 N 0.606(3) 0.570(3) 1.0116(17) 0.130(11) Uani 0.25 1 d D U . A .
N6 N 1.0988(13) 0.6611(12) 0.8929(9) 0.148(4) Uani 1 1 d D U . . .
C1 C 0.6936(8) 0.3935(8) 0.8154(8) 0.070(3) Uani 1 1 d D . . . .
H1 H 0.720772 0.434778 0.868772 0.085 Uiso 1 1 calc R . . . .
C2 C 0.5471(14) 0.8989(11) 0.4142(11) 0.104(5) Uani 1 1 d D U . . .
H2A H 0.621091 0.911256 0.446622 0.155 Uiso 1 1 calc GR . . . .
H2B H 0.532849 0.952103 0.394857 0.155 Uiso 1 1 calc GR . . . .
H2C H 0.525827 0.852494 0.366856 0.155 Uiso 1 1 calc GR . . . .
C3 C 0.4857(10) 0.8683(10) 0.4685(9) 0.082(4) Uani 1 1 d D . . . .
H3 H 0.518795 0.915475 0.518386 0.099 Uiso 1 1 calc R . . . .
C4 C 0.3697(10) 0.8628(11) 0.4382(13) 0.109(6) Uani 1 1 d D U . . .
H4A H 0.328052 0.804153 0.406544 0.163 Uiso 1 1 calc GR . . . .
H4B H 0.355776 0.906782 0.403324 0.163 Uiso 1 1 calc GR . . . .
H4C H 0.351762 0.873805 0.485608 0.163 Uiso 1 1 calc GR . . . .
C5 C 0.1732(11) 0.6447(10) 0.4224(9) 0.073(4) Uani 0.710(14) 1 d D U . D 1
C6 C 0.9369(13) 0.6814(11) 0.5910(11) 0.105(4) Uani 1 1 d D U . . .
H6A H 0.961965 0.631112 0.578657 0.126 Uiso 0.52(2) 1 calc R . . G 1
H6B H 0.980341 0.676659 0.647963 0.126 Uiso 0.48(2) 1 calc R . . G 2
C7 C 0.6018(12) 0.3176(10) 0.8152(12) 0.109(6) Uani 1 1 d D U . . .
H7A H 0.557158 0.342326 0.834565 0.164 Uiso 1 1 calc GR . . . .
H7B H 0.628881 0.278348 0.851586 0.164 Uiso 1 1 calc GR . . . .
H7C H 0.561906 0.284463 0.759206 0.164 Uiso 1 1 calc GR . . . .
C8 C 0.2355(11) 0.5612(11) 0.6763(9) 0.098(4) Uani 1 1 d D U . . .
H8A H 0.171456 0.523679 0.630225 0.118 Uiso 0.705(19) 1 calc R . . H 1
H8B H 0.224347 0.511491 0.706319 0.118 Uiso 0.295(19) 1 calc R . . H 2
C9 C 0.3253(12) 0.2948(12) 0.6810(9) 0.081(4) Uani 1 1 d . . . . .
C10 C 0.9820(12) 0.8938(11) 0.8425(11) 0.106(5) Uani 1 1 d D U . . .
H10 H 0.948800 0.877804 0.878938 0.127 Uiso 1 1 calc R . . . .
C11 C 0.2594(15) 0.2170(14) 0.6970(12) 0.107(5) Uani 1 1 d . . . . .
C12 C 0.7866(14) 0.3666(13) 0.8075(12) 0.116(6) Uani 1 1 d D U . . .
H12A H 0.763063 0.326855 0.755211 0.174 Uiso 1 1 calc GR . . . .
H12B H 0.815467 0.336816 0.853014 0.174 Uiso 1 1 calc GR . . . .
H12C H 0.839811 0.419107 0.809495 0.174 Uiso 1 1 calc GR . . . .
C13 C 0.8588(11) 0.7070(8) 0.9689(10) 0.116(5) Uani 1 1 d D U . . .
C14 C 0.7045(12) 0.9874(9) 0.7838(7) 0.097(4) Uani 1 1 d D U . . .
C15 C 0.5036(13) 0.8397(11) 0.9745(10) 0.157(7) Uani 1 1 d D U . . .
C16 C 0.5419(10) 0.8092(12) 0.9098(10) 0.109(5) Uani 1 1 d D U . . .
C17 C 0.7184(13) 1.0846(10) 0.8160(9) 0.143(6) Uani 1 1 d D U . . .
C18 C 0.1367(12) 0.5974(17) 0.3638(13) 0.073(7) Uani 0.290(14) 1 d D U . D 2
C19 C 0.0699(11) 0.6333(11) 0.3514(9) 0.095(5) Uani 0.710(14) 1 d D U . D 1
C20 C 0.0924(17) 0.6760(18) 0.3597(16) 0.114(9) Uani 0.290(14) 1 d D U . D 2
C21 C 1.115(2) 1.0025(17) 0.9630(11) 0.165(9) Uani 1 1 d D U . . .
H21A H 1.064565 0.974003 0.985123 0.247 Uiso 1 1 calc GR . . . .
H21B H 1.123317 1.065651 0.969573 0.247 Uiso 1 1 calc GR . . . .
H21C H 1.181337 0.992225 0.992807 0.247 Uiso 1 1 calc GR . . . .
C22 C 1.154(3) 0.948(4) 0.844(3) 0.135(14) Uani 0.42(4) 1 d D U . I 1
H22A H 1.153122 0.886716 0.836079 0.202 Uiso 0.42(4) 1 d R . . I 1
H22B H 1.223722 0.984716 0.878739 0.202 Uiso 0.42(4) 1 d R . . I 1
H22C H 1.132002 0.966996 0.790339 0.202 Uiso 0.42(4) 1 d R . . I 1
C23 C 0.2515(16) 0.5187(15) 0.7543(12) 0.102(5) Uani 0.705(19) 1 d D U . H 1
H23A H 0.246461 0.456758 0.740581 0.153 Uiso 0.705(19) 1 calc GR . . H 1
H23B H 0.198370 0.523179 0.775011 0.153 Uiso 0.705(19) 1 calc GR . . H 1
H23C H 0.319868 0.549193 0.796620 0.153 Uiso 0.705(19) 1 calc GR . . H 1
C24 C 0.224(2) 0.6555(12) 0.6917(16) 0.108(5) Uani 0.705(19) 1 d D U . H 1
H24A H 0.256775 0.679127 0.750707 0.162 Uiso 0.705(19) 1 calc GR . . H 1
H24B H 0.150995 0.652377 0.671298 0.162 Uiso 0.705(19) 1 calc GR . . H 1
H24C H 0.258184 0.693895 0.662664 0.162 Uiso 0.705(19) 1 calc GR . . H 1
C25 C 0.138(2) 0.552(3) 0.5964(18) 0.097(7) Uani 0.295(19) 1 d D U . H 2
H25A H 0.102934 0.592719 0.609286 0.145 Uiso 0.295(19) 1 d R . . H 2
H25B H 0.092034 0.492159 0.580956 0.145 Uiso 0.295(19) 1 d R . . H 2
H25C H 0.157994 0.567959 0.550726 0.145 Uiso 0.295(19) 1 d R . . H 2
C26 C 0.2666(17) 0.652(2) 0.732(3) 0.107(6) Uani 0.295(19) 1 d D U . H 2
H26A H 0.341789 0.672434 0.761228 0.161 Uiso 0.295(19) 1 calc GR . . H 2
H26B H 0.234236 0.645445 0.772302 0.161 Uiso 0.295(19) 1 calc GR . . H 2
H26C H 0.243350 0.694184 0.698326 0.161 Uiso 0.295(19) 1 calc GR . . H 2
C27 C 1.004(3) 0.750(2) 0.6706(18) 0.118(6) Uani 0.52(2) 1 d D U . G 1
H27A H 1.016363 0.809155 0.656751 0.177 Uiso 0.52(2) 1 calc GR . . G 1
H27B H 1.070814 0.738343 0.696827 0.177 Uiso 0.52(2) 1 calc GR . . G 1
H27C H 0.968854 0.746628 0.708525 0.177 Uiso 0.52(2) 1 calc GR . . G 1
C28 C 0.977(3) 0.7799(14) 0.587(3) 0.116(6) Uani 0.48(2) 1 d D U . G 2
H28A H 0.922722 0.796937 0.545298 0.174 Uiso 0.48(2) 1 calc GR . . G 2
H28B H 1.037761 0.789397 0.573232 0.174 Uiso 0.48(2) 1 calc GR . . G 2
H28C H 0.995559 0.815429 0.640844 0.174 Uiso 0.48(2) 1 calc GR . . G 2
C29 C 0.949(3) 0.607(2) 0.535(2) 0.114(7) Uani 0.48(2) 1 d D U . G 2
H29A H 0.936833 0.552129 0.556368 0.172 Uiso 0.48(2) 1 d R . . G 2
H29B H 1.018633 0.623459 0.535328 0.172 Uiso 0.48(2) 1 d R . . G 2
H29C H 0.898123 0.599679 0.479408 0.172 Uiso 0.48(2) 1 d R . . G 2
C30 C 0.931(2) 0.751(2) 0.535(2) 0.119(6) Uani 0.52(2) 1 d D U . G 1
H30A H 0.858336 0.745312 0.501318 0.178 Uiso 0.52(2) 1 calc GR . . G 1
H30B H 0.966489 0.742666 0.498238 0.178 Uiso 0.52(2) 1 calc GR . . G 1
H30C H 0.963745 0.809930 0.568285 0.178 Uiso 0.52(2) 1 calc GR . . G 1
C31 C 0.835(2) 0.9556(17) 0.6190(18) 0.142(5) Uani 0.75 1 d D U . . .
H31 H 0.815482 0.936125 0.661883 0.170 Uiso 0.75 1 calc R . . . .
C32 C 0.933(3) 1.103(2) 0.7093(18) 0.147(6) Uani 0.75 1 d D U . . .
H32A H 0.906717 1.073398 0.747385 0.221 Uiso 0.75 1 d R . . . .
H32B H 0.906427 1.153758 0.698415 0.221 Uiso 0.75 1 d R . . . .
H32C H 1.008167 1.122618 0.733615 0.221 Uiso 0.75 1 d R . . . .
C33 C 0.911(3) 1.096(2) 0.5745(18) 0.147(5) Uani 0.75 1 d D U . . .
H33A H 0.970104 1.093344 0.561522 0.220 Uiso 0.75 1 d R . . . .
H33B H 0.919974 1.156264 0.598042 0.220 Uiso 0.75 1 d R . . . .
H33C H 0.847694 1.076314 0.524222 0.220 Uiso 0.75 1 d R . . . .
C34 C 0.9411(12) 0.7103(9) 1.0559(10) 0.148(5) Uani 1 1 d D U . . .
C35 C 1.095(4) 1.020(3) 0.815(3) 0.177(17) Uani 0.58(4) 1 d D U . I 2
H35A H 1.097917 1.078161 0.839926 0.265 Uiso 0.58(4) 1 d R . . I 2
H35B H 1.038677 1.001881 0.760936 0.265 Uiso 0.58(4) 1 d R . . I 2
H35C H 1.160807 1.023751 0.809266 0.265 Uiso 0.58(4) 1 d R . . I 2
C38 C 0.390(4) 0.971(5) 0.800(3) 0.163(16) Uani 0.43(2) 1 d D U . D 2
H38A H 0.365413 0.951769 0.842345 0.244 Uiso 0.43(2) 1 d R . . D 2
H38B H 0.355733 1.013899 0.774675 0.244 Uiso 0.43(2) 1 d R . . D 2
H38C H 0.464723 0.998709 0.824755 0.244 Uiso 0.43(2) 1 d R . . D 2
C39 C 0.341(5) 0.843(3) 0.667(3) 0.144(14) Uani 0.43(2) 1 d D U . D 2
H39 H 0.410084 0.840198 0.693095 0.173 Uiso 0.43(2) 1 calc R . . D 2
C40 C 0.244(5) 0.939(4) 0.658(3) 0.176(18) Uani 0.43(2) 1 d D U . D 2
H40A H 0.200773 0.886448 0.616582 0.264 Uiso 0.43(2) 1 d R . . D 2
H40B H 0.267973 0.986198 0.630462 0.264 Uiso 0.43(2) 1 d R . . D 2
H40C H 0.204293 0.957848 0.686512 0.264 Uiso 0.43(2) 1 d R . . D 2
C42 C 0.556(4) 0.578(3) 0.9281(19) 0.132(12) Uani 0.25 1 d D U . . .
H42 H 0.540398 0.630699 0.915578 0.158 Uiso 0.25 1 calc R . . A .
C43 C 0.631(6) 0.487(4) 1.029(2) 0.135(13) Uani 0.25 1 d D U . . .
H43A H 0.639450 0.490035 1.086566 0.202 Uiso 0.25 1 d R . . A .
H43B H 0.691240 0.475455 1.022596 0.202 Uiso 0.25 1 d R . . . .
H43C H 0.568870 0.438745 0.994896 0.202 Uiso 0.25 1 d R . . . .
C44 C 0.628(6) 0.648(4) 1.072(3) 0.133(13) Uani 0.25 1 d D U . . .
H44A H 0.703456 0.671481 1.095195 0.199 Uiso 0.25 1 d R . . A .
H44B H 0.603946 0.640621 1.117205 0.199 Uiso 0.25 1 d R . . . .
H44C H 0.597416 0.688271 1.039774 0.199 Uiso 0.25 1 d R . . . .
C45 C 0.9885(14) 0.6465(16) 0.8415(12) 0.148(4) Uani 1 1 d D U . . .
H45 H 0.955618 0.691533 0.835713 0.178 Uiso 0.5 1 calc R . . A 1
H45A H 0.957008 0.585887 0.819056 0.178 Uiso 0.5 1 calc R . . A 2
C46 C 1.153(2) 0.7551(13) 0.9283(15) 0.159(4) Uani 1 1 d D U . . .
H46A H 1.135147 0.790585 0.885408 0.239 Uiso 1 1 calc GR . . . .
H46B H 1.228150 0.763866 0.950092 0.239 Uiso 1 1 calc GR . . . .
H46C H 1.133239 0.772832 0.972694 0.239 Uiso 1 1 calc GR . . . .
C47 C 1.1821(17) 0.6216(16) 0.9272(14) 0.161(5) Uani 1 1 d D U . . .
H47A H 1.157171 0.558604 0.905155 0.242 Uiso 1 1 calc GR . . . .
H47B H 1.205218 0.630651 0.987157 0.242 Uiso 1 1 calc GR . . . .
H47C H 1.239966 0.649053 0.912294 0.242 Uiso 1 1 calc GR . . . .
O16 O 0.4444(18) 0.8346(14) 0.6842(13) 0.109(7) Uani 0.57(2) 1 d D U . D 1
N3 N 0.391(2) 0.9473(19) 0.7357(16) 0.113(8) Uani 0.57(2) 1 d D U . D 1
C36 C 0.2945(19) 0.9183(19) 0.6622(18) 0.092(7) Uani 0.57(2) 1 d D U . D 1
H36A H 0.303455 0.880348 0.621012 0.139 Uiso 0.57(2) 1 d R . . D 1
H36B H 0.276285 0.968858 0.639332 0.139 Uiso 0.57(2) 1 d R . . D 1
H36C H 0.239155 0.885278 0.677262 0.139 Uiso 0.57(2) 1 d R . . D 1
C37 C 0.462(2) 0.8950(15) 0.7382(15) 0.091(7) Uani 0.57(2) 1 d D U . D 1
H37 H 0.525278 0.909055 0.784650 0.110 Uiso 0.57(2) 1 calc R . . D 1
C41 C 0.352(4) 0.991(3) 0.788(3) 0.143(13) Uani 0.57(2) 1 d D U . D 1
H41A H 0.284078 0.998925 0.780800 0.214 Uiso 0.57(2) 1 d R . . D 1
H41B H 0.405498 1.046845 0.816080 0.214 Uiso 0.57(2) 1 d R . . D 1
H41C H 0.364198 0.945675 0.820900 0.214 Uiso 0.57(2) 1 d R . . D 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1A Ag2 2.739(8) . ?
Ag1A Ag3 2.779(9) . ?
Ag1A Ag5 2.820(9) . ?
Ag1A Ag6 2.750(9) . ?
Ag1A Ag9 3.043(8) . ?
Ag1A Ag10 3.073(10) . ?
Ag1A S4 2.568(9) . ?
Ag1A O8 2.32(2) . ?
Ag1B Ag2 2.802(13) . ?
Ag1B Ag3 2.94(2) . ?
Ag1B Ag5 2.827(10) . ?
Ag1B Ag6 2.857(18) . ?
Ag1B Ag9 3.134(16) . ?
Ag1B Ag10 3.003(13) . ?
Ag1B S4 2.533(10) . ?
Ag1B O15 2.23(3) . ?
Ag2 Ag3 2.7781(11) . ?
Ag2 Ag4 2.7774(11) . ?
Ag2 Ag5 2.8023(12) . ?
Ag2 O3 2.372(12) . ?
Ag2 O4 2.351(10) . ?
Ag2 O5 2.369(10) . ?
Ag3 Ag4 2.8306(12) . ?
Ag3 Ag6 2.8436(11) . ?
Ag3 Ag8 3.1452(12) . ?
Ag3 Ag9 3.0768(12) . ?
Ag3 S1 2.535(3) . ?
Ag3 O7 2.249(11) . ?
Ag4 Ag5 2.8213(13) . ?
Ag4 Ag6 2.8173(11) . ?
Ag4 Ag7 3.1108(13) . ?
Ag4 Ag8 3.1692(12) . ?
Ag4 S2 2.547(2) . ?
Ag4 O11 2.29(2) . ?
Ag4 O13 2.29(2) . ?
Ag5 Ag6 2.8545(11) . ?
Ag5 Ag7 3.0907(13) . ?
Ag5 Ag10 3.1103(12) . ?
Ag5 S3 2.574(3) . ?
Ag5 O10 2.260(12) . ?
Ag5 O20 2.48(2) . ?
Ag6 Ag7 3.2381(12) . ?
Ag6 Ag8 3.2293(12) . ?
Ag6 Ag9 3.2268(12) . ?
Ag6 Ag10 3.2124(12) . ?
Ag6 Ag1 3.31(2) 2_666 ?
Ag6 S5 2.5265(7) . ?
Ag7 Ag12 3.354(4) 2_666 ?
Ag7 Ag1 3.350(7) 2_666 ?
Ag7 S2 2.522(3) . ?
Ag7 S3 2.514(3) . ?
Ag7 O2 2.511(15) 2_666 ?
Ag7 O12 2.39(2) . ?
Ag8 Ag12 3.363(5) 2_666 ?
Ag8 Ag1 3.226(10) 2_666 ?
Ag8 S1 2.504(3) . ?
Ag8 S2 2.510(3) . ?
Ag8 O9 2.348(15) . ?
Ag8 O17 2.30(4) . ?
Ag9 Ag11 3.2245(15) 2_666 ?
Ag9 S1 2.521(3) . ?
Ag9 S4 2.511(3) . ?
Ag9 O6 2.333(12) . ?
Ag9 O18 2.452(10) . ?
Ag10 Ag11 3.3471(16) . ?
Ag10 Ag1 3.351(7) . ?
Ag10 S3 2.523(3) . ?
Ag10 S4 2.521(3) . ?
Ag10 O1 2.584(10) 2_666 ?
Ag10 O14 2.27(3) 2_666 ?
Ag10 O19 2.46(3) . ?
Ag11 S1 2.457(3) 2_666 ?
Ag11 S3 2.456(3) . ?
Ag11 S5 2.6191(12) . ?
Ag12 S2 2.388(5) 2_666 ?
Ag12 S4 2.387(4) . ?
Ag12 S5 2.938(17) . ?
Ag1 S2 2.542(10) 2_666 ?
Ag1 S4 2.568(14) . ?
Ag1 S5 2.34(3) . ?
S1 C8 1.851(13) . ?
S2 C3 1.819(13) . ?
S3 C6 1.842(16) . ?
S4 C1 1.842(12) . ?
F1 C11 1.31(2) . ?
F2 C11 1.31(2) . ?
F3 C15 1.337(10) . ?
F4 C11 1.38(2) . ?
F5 C15 1.358(10) . ?
F6 C15 1.353(10) . ?
F7 C15 1.355(10) . ?
F8 C15 1.336(10) . ?
F9 C15 1.359(10) . ?
F10 C17 1.360(10) . ?
F11 C17 1.355(10) . ?
F12 C17 1.338(10) . ?
F13 C17 1.371(19) . ?
F14 C17 1.315(19) . ?
F15 C17 1.385(19) . ?
F16 C19 1.331(10) . ?
F17 C19 1.334(10) . ?
F18 C19 1.335(10) . ?
F19 C20 1.342(10) . ?
F20 C20 1.349(10) . ?
F21 C20 1.347(10) . ?
F22 C34 1.375(10) . ?
F23 C34 1.346(10) . ?
F24 C34 1.350(10) . ?
F25 C34 1.38(2) . ?
F26 C34 1.36(2) . ?
F27 C34 1.36(2) . ?
O1 C5 1.227(9) . ?
O1 C18 1.243(10) . ?
O2 C9 1.208(18) . ?
O3 C13 1.215(9) . ?
O4 C14 1.247(9) . ?
O5 C16 1.221(9) . ?
O6 C9 1.219(18) . ?
O7 C16 1.235(9) . ?
O8 C13 1.227(10) . ?
O9 C5 1.245(9) . ?
O10 C10 1.151(18) . ?
O11 C14 1.246(10) . ?
O12 C31 1.185(17) . ?
O13 C14 1.257(10) . ?
O14 C18 1.250(10) . ?
O15 C13 1.211(10) . ?
O17 C39 1.20(2) . ?
O18 C42 1.19(2) . ?
O19 C45 1.193(10) . ?
O20 C45 1.193(18) . ?
N1 C10 1.432(10) . ?
N1 C21 1.438(10) . ?
N1 C22 1.443(10) . ?
N1 C35 1.45(2) . ?
N2 C31 1.343(10) . ?
N2 C32 1.456(10) . ?
N2 C33 1.440(10) . ?
N4 C38 1.47(2) . ?
N4 C39 1.46(2) . ?
N4 C40 1.44(2) . ?
N5 C42 1.398(10) . ?
N5 C43 1.451(10) . ?
N5 C44 1.447(10) . ?
N6 C45 1.449(10) . ?
N6 C46 1.453(10) . ?
N6 C47 1.431(10) . ?
C1 C7 1.532(9) . ?
C1 C12 1.530(9) . ?
C2 C3 1.526(9) . ?
C3 C4 1.518(9) . ?
C5 C19 1.500(10) . ?
C6 C27 1.524(10) . ?
C6 C28 1.522(10) . ?
C6 C29 1.537(10) . ?
C6 C30 1.517(10) . ?
C8 C23 1.521(10) . ?
C8 C24 1.537(10) . ?
C8 C25 1.533(10) . ?
C8 C26 1.527(10) . ?
C9 C11 1.45(3) . ?
C13 C34 1.530(10) . ?
C14 C17 1.523(10) . ?
C15 C16 1.509(10) . ?
C18 C20 1.507(10) . ?
O16 C37 1.193(10) . ?
N3 C36 1.443(10) . ?
N3 C37 1.435(10) . ?
N3 C41 1.444(19) . ?

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 Ag1A Ag3 60.46(19) . . ?
Ag2 Ag1A Ag5 60.52(17) . . ?
Ag2 Ag1A Ag6 91.4(3) . . ?
Ag2 Ag1A Ag9 123.7(3) . . ?
Ag2 Ag1A Ag10 123.7(3) . . ?
Ag3 Ag1A Ag5 92.5(3) . . ?
Ag3 Ag1A Ag9 63.62(18) . . ?
Ag3 Ag1A Ag10 128.6(3) . . ?
Ag5 Ag1A Ag9 129.1(3) . . ?
Ag5 Ag1A Ag10 63.5(2) . . ?
Ag6 Ag1A Ag3 61.90(18) . . ?
Ag6 Ag1A Ag5 61.64(19) . . ?
Ag6 Ag1A Ag9 67.48(18) . . ?
Ag6 Ag1A Ag10 66.7(2) . . ?
Ag9 Ag1A Ag10 95.8(2) . . ?
S4 Ag1A Ag2 170.0(4) . . ?
S4 Ag1A Ag3 113.6(3) . . ?
S4 Ag1A Ag5 113.6(3) . . ?
S4 Ag1A Ag6 78.6(2) . . ?
S4 Ag1A Ag9 52.34(15) . . ?
S4 Ag1A Ag10 52.17(18) . . ?
O8 Ag1A Ag2 82.9(5) . . ?
O8 Ag1A Ag3 117.7(7) . . ?
O8 Ag1A Ag5 112.0(5) . . ?
O8 Ag1A Ag6 173.2(6) . . ?
O8 Ag1A Ag9 118.9(6) . . ?
O8 Ag1A Ag10 113.5(6) . . ?
O8 Ag1A S4 107.1(6) . . ?
Ag2 Ag1B Ag3 57.8(4) . . ?
Ag2 Ag1B Ag5 59.7(2) . . ?
Ag2 Ag1B Ag6 87.9(6) . . ?
Ag2 Ag1B Ag9 118.3(8) . . ?
Ag2 Ag1B Ag10 124.1(4) . . ?
Ag3 Ag1B Ag9 60.8(4) . . ?
Ag3 Ag1B Ag10 125.2(6) . . ?
Ag5 Ag1B Ag3 89.1(5) . . ?
Ag5 Ag1B Ag6 60.3(3) . . ?
Ag5 Ag1B Ag9 125.3(6) . . ?
Ag5 Ag1B Ag10 64.4(2) . . ?
Ag6 Ag1B Ag3 58.7(5) . . ?
Ag6 Ag1B Ag9 65.0(4) . . ?
Ag6 Ag1B Ag10 66.4(2) . . ?
Ag10 Ag1B Ag9 95.3(3) . . ?
S4 Ag1B Ag2 164.5(9) . . ?
S4 Ag1B Ag3 109.6(6) . . ?
S4 Ag1B Ag5 114.5(4) . . ?
S4 Ag1B Ag6 77.2(3) . . ?
S4 Ag1B Ag9 51.3(2) . . ?
S4 Ag1B Ag10 53.4(2) . . ?
O15 Ag1B Ag2 88.7(6) . . ?
O15 Ag1B Ag3 129.6(6) . . ?
O15 Ag1B Ag5 106.1(6) . . ?
O15 Ag1B Ag6 165.6(6) . . ?
O15 Ag1B Ag9 128.5(6) . . ?
O15 Ag1B Ag10 104.4(8) . . ?
O15 Ag1B S4 106.8(9) . . ?
Ag1A Ag2 Ag3 60.49(18) . . ?
Ag1A Ag2 Ag4 90.24(18) . . ?
Ag1A Ag2 Ag5 61.2(2) . . ?
Ag1B Ag2 Ag5 60.6(2) . . ?
Ag3 Ag2 Ag1B 63.6(5) . . ?
Ag3 Ag2 Ag5 92.93(3) . . ?
Ag4 Ag2 Ag1B 92.4(4) . . ?
Ag4 Ag2 Ag3 61.26(3) . . ?
Ag4 Ag2 Ag5 60.74(3) . . ?
O3 Ag2 Ag1A 80.5(3) . . ?
O3 Ag2 Ag1B 77.7(5) . . ?
O3 Ag2 Ag3 125.8(3) . . ?
O3 Ag2 Ag4 160.4(2) . . ?
O3 Ag2 Ag5 99.7(2) . . ?
O4 Ag2 Ag1A 162.0(4) . . ?
O4 Ag2 Ag1B 161.3(4) . . ?
O4 Ag2 Ag3 124.2(3) . . ?
O4 Ag2 Ag4 79.3(2) . . ?
O4 Ag2 Ag5 100.9(3) . . ?
O4 Ag2 O3 104.8(4) . . ?
O4 Ag2 O5 83.4(4) . . ?
O5 Ag2 Ag1A 114.5(4) . . ?
O5 Ag2 Ag1B 115.4(4) . . ?
O5 Ag2 Ag3 80.8(3) . . ?
O5 Ag2 Ag4 116.0(3) . . ?
O5 Ag2 Ag5 173.7(3) . . ?
O5 Ag2 O3 83.6(4) . . ?
Ag1A Ag3 Ag4 88.34(18) . . ?
Ag1A Ag3 Ag6 58.55(19) . . ?
Ag1A Ag3 Ag8 123.56(19) . . ?
Ag1A Ag3 Ag9 62.37(16) . . ?
Ag1B Ag3 Ag8 124.2(2) . . ?
Ag1B Ag3 Ag9 62.75(19) . . ?
Ag2 Ag3 Ag1A 59.05(16) . . ?
Ag2 Ag3 Ag1B 58.61(19) . . ?
Ag2 Ag3 Ag4 59.36(3) . . ?
Ag2 Ag3 Ag6 88.64(3) . . ?
Ag2 Ag3 Ag8 123.05(4) . . ?
Ag2 Ag3 Ag9 121.06(4) . . ?
Ag4 Ag3 Ag1B 88.5(2) . . ?
Ag4 Ag3 Ag6 59.54(3) . . ?
Ag4 Ag3 Ag8 63.80(3) . . ?
Ag4 Ag3 Ag9 125.45(3) . . ?
Ag6 Ag3 Ag1B 59.2(2) . . ?
Ag6 Ag3 Ag8 65.04(3) . . ?
Ag6 Ag3 Ag9 65.92(3) . . ?
Ag9 Ag3 Ag8 94.03(3) . . ?
S1 Ag3 Ag1A 111.38(17) . . ?
S1 Ag3 Ag1B 111.9(2) . . ?
S1 Ag3 Ag2 165.54(7) . . ?
S1 Ag3 Ag4 112.12(7) . . ?
S1 Ag3 Ag6 76.91(6) . . ?
S1 Ag3 Ag8 50.94(6) . . ?
S1 Ag3 Ag9 52.31(6) . . ?
O7 Ag3 Ag1A 117.6(4) . . ?
O7 Ag3 Ag1B 117.0(4) . . ?
O7 Ag3 Ag2 84.7(3) . . ?
O7 Ag3 Ag4 116.3(4) . . ?
O7 Ag3 Ag6 173.4(3) . . ?
O7 Ag3 Ag8 118.7(4) . . ?
O7 Ag3 Ag9 118.0(4) . . ?
O7 Ag3 S1 109.7(3) . . ?
Ag2 Ag4 Ag3 59.38(3) . . ?
Ag2 Ag4 Ag5 60.06(3) . . ?
Ag2 Ag4 Ag6 89.18(3) . . ?
Ag2 Ag4 Ag7 122.51(4) . . ?
Ag2 Ag4 Ag8 122.21(4) . . ?
Ag3 Ag4 Ag7 126.45(3) . . ?
Ag3 Ag4 Ag8 62.93(3) . . ?
Ag5 Ag4 Ag3 91.42(3) . . ?
Ag5 Ag4 Ag7 62.57(3) . . ?
Ag5 Ag4 Ag8 125.77(3) . . ?
Ag6 Ag4 Ag3 60.46(3) . . ?
Ag6 Ag4 Ag5 60.83(3) . . ?
Ag6 Ag4 Ag7 66.00(3) . . ?
Ag6 Ag4 Ag8 64.98(3) . . ?
Ag7 Ag4 Ag8 94.01(3) . . ?
S2 Ag4 Ag2 165.01(7) . . ?
S2 Ag4 Ag3 111.04(7) . . ?
S2 Ag4 Ag5 111.42(7) . . ?
S2 Ag4 Ag6 75.83(6) . . ?
S2 Ag4 Ag7 51.78(7) . . ?
S2 Ag4 Ag8 50.68(7) . . ?
O11 Ag4 Ag2 86.0(4) . . ?
O11 Ag4 Ag3 126.1(6) . . ?
O11 Ag4 Ag5 106.4(9) . . ?
O11 Ag4 Ag6 166.9(9) . . ?
O11 Ag4 Ag7 106.6(7) . . ?
O11 Ag4 Ag8 127.6(8) . . ?
O11 Ag4 S2 108.7(4) . . ?
O13 Ag4 Ag2 84.2(5) . . ?
O13 Ag4 Ag3 109.9(10) . . ?
O13 Ag4 Ag5 120.9(6) . . ?
O13 Ag4 Ag6 170.3(10) . . ?
O13 Ag4 Ag7 123.7(10) . . ?
O13 Ag4 Ag8 112.8(7) . . ?
O13 Ag4 S2 110.5(5) . . ?
Ag1A Ag5 Ag4 87.71(18) . . ?
Ag1A Ag5 Ag6 57.96(17) . . ?
Ag1A Ag5 Ag7 123.83(17) . . ?
Ag1A Ag5 Ag10 62.19(19) . . ?
Ag1B Ag5 Ag6 60.4(4) . . ?
Ag1B Ag5 Ag7 126.2(4) . . ?
Ag1B Ag5 Ag10 60.5(3) . . ?
Ag2 Ag5 Ag1A 58.29(18) . . ?
Ag2 Ag5 Ag1B 59.7(3) . . ?
Ag2 Ag5 Ag4 59.19(3) . . ?
Ag2 Ag5 Ag6 87.95(3) . . ?
Ag2 Ag5 Ag7 122.37(4) . . ?
Ag2 Ag5 Ag10 120.19(4) . . ?
Ag4 Ag5 Ag1B 91.0(5) . . ?
Ag4 Ag5 Ag6 59.52(3) . . ?
Ag4 Ag5 Ag7 63.31(3) . . ?
Ag4 Ag5 Ag10 124.52(3) . . ?
Ag6 Ag5 Ag7 65.86(3) . . ?
Ag6 Ag5 Ag10 65.00(3) . . ?
Ag7 Ag5 Ag10 94.78(3) . . ?
S3 Ag5 Ag1A 110.35(19) . . ?
S3 Ag5 Ag1B 109.7(2) . . ?
S3 Ag5 Ag2 163.69(7) . . ?
S3 Ag5 Ag4 111.61(7) . . ?
S3 Ag5 Ag6 75.78(6) . . ?
S3 Ag5 Ag7 51.71(7) . . ?
S3 Ag5 Ag10 51.64(7) . . ?
O10 Ag5 Ag1A 129.5(4) . . ?
O10 Ag5 Ag1B 127.4(5) . . ?
O10 Ag5 Ag2 91.8(3) . . ?
O10 Ag5 Ag4 112.3(4) . . ?
O10 Ag5 Ag6 170.3(4) . . ?
O10 Ag5 Ag7 106.4(4) . . ?
O10 Ag5 Ag10 122.9(4) . . ?
O10 Ag5 S3 104.4(3) . . ?
O10 Ag5 O20 71.1(8) . . ?
O20 Ag5 Ag1B 68.9(8) . . ?
O20 Ag5 Ag2 95.0(6) . . ?
O20 Ag5 Ag4 153.6(6) . . ?
O20 Ag5 Ag6 118.6(7) . . ?
O20 Ag5 Ag7 142.6(6) . . ?
O20 Ag5 Ag10 61.0(7) . . ?
O20 Ag5 S3 91.9(6) . . ?
Ag1A Ag6 Ag3 59.5(2) . . ?
Ag1A Ag6 Ag4 89.18(17) . . ?
Ag1A Ag6 Ag5 60.40(17) . . ?
Ag1A Ag6 Ag7 120.97(18) . . ?
Ag1A Ag6 Ag8 121.5(2) . . ?
Ag1A Ag6 Ag9 60.59(17) . . ?
Ag1A Ag6 Ag10 61.5(2) . . ?
Ag1A Ag6 Ag1 177.0(4) . 2_666 ?
Ag1B Ag6 Ag7 119.8(2) . . ?
Ag1B Ag6 Ag8 124.0(4) . . ?
Ag1B Ag6 Ag9 61.7(2) . . ?
Ag1B Ag6 Ag10 59.0(4) . . ?
Ag3 Ag6 Ag1B 62.1(4) . . ?
Ag3 Ag6 Ag5 90.47(3) . . ?
Ag3 Ag6 Ag7 121.35(3) . . ?
Ag3 Ag6 Ag8 62.00(3) . . ?
Ag3 Ag6 Ag9 60.52(3) . . ?
Ag3 Ag6 Ag10 121.00(3) . . ?
Ag3 Ag6 Ag1 121.08(12) . 2_666 ?
Ag4 Ag6 Ag1B 90.4(3) . . ?
Ag4 Ag6 Ag3 60.00(3) . . ?
Ag4 Ag6 Ag5 59.65(3) . . ?
Ag4 Ag6 Ag7 61.36(3) . . ?
Ag4 Ag6 Ag8 62.78(3) . . ?
Ag4 Ag6 Ag9 120.52(3) . . ?
Ag4 Ag6 Ag10 121.00(3) . . ?
Ag4 Ag6 Ag1 93.6(3) . 2_666 ?
Ag5 Ag6 Ag1B 59.3(2) . . ?
Ag5 Ag6 Ag7 60.58(3) . . ?
Ag5 Ag6 Ag8 122.40(3) . . ?
Ag5 Ag6 Ag9 120.97(3) . . ?
Ag5 Ag6 Ag10 61.35(3) . . ?
Ag5 Ag6 Ag1 122.1(3) . 2_666 ?
Ag7 Ag6 Ag1 61.5(3) . 2_666 ?
Ag8 Ag6 Ag7 90.51(3) . . ?
Ag8 Ag6 Ag1 59.10(12) . 2_666 ?
Ag9 Ag6 Ag7 177.89(3) . . ?
Ag9 Ag6 Ag8 89.67(3) . . ?
Ag9 Ag6 Ag1 116.9(3) . 2_666 ?
Ag10 Ag6 Ag7 90.06(3) . . ?
Ag10 Ag6 Ag8 175.80(3) . . ?
Ag10 Ag6 Ag9 89.61(3) . . ?
Ag10 Ag6 Ag1 117.74(13) . 2_666 ?
S5 Ag6 Ag1A 132.33(18) . . ?
S5 Ag6 Ag1B 131.1(3) . . ?
S5 Ag6 Ag3 134.63(3) . . ?
S5 Ag6 Ag4 138.49(3) . . ?
S5 Ag6 Ag5 134.75(3) . . ?
S5 Ag6 Ag7 90.94(3) . . ?
S5 Ag6 Ag8 89.34(3) . . ?
S5 Ag6 Ag9 86.96(3) . . ?
S5 Ag6 Ag10 86.49(3) . . ?
S5 Ag6 Ag1 44.9(3) . 2_666 ?
Ag4 Ag7 Ag6 52.64(2) . . ?
Ag4 Ag7 Ag12 90.33(7) . 2_666 ?
Ag4 Ag7 Ag1 87.7(2) . 2_666 ?
Ag5 Ag7 Ag4 54.12(3) . . ?
Ag5 Ag7 Ag6 53.56(2) . . ?
Ag5 Ag7 Ag12 123.0(2) . 2_666 ?
Ag5 Ag7 Ag1 113.8(5) . 2_666 ?
Ag6 Ag7 Ag12 69.5(3) . 2_666 ?
Ag6 Ag7 Ag1 60.3(5) . 2_666 ?
S2 Ag7 Ag4 52.51(6) . . ?
S2 Ag7 Ag5 104.05(6) . . ?
S2 Ag7 Ag6 68.70(6) . . ?
S2 Ag7 Ag12 45.27(14) . 2_666 ?
S2 Ag7 Ag1 48.84(17) . 2_666 ?
S3 Ag7 Ag4 104.58(7) . . ?
S3 Ag7 Ag5 53.48(6) . . ?
S3 Ag7 Ag6 69.73(7) . . ?
S3 Ag7 Ag12 112.3(3) . 2_666 ?
S3 Ag7 Ag1 103.3(4) . 2_666 ?
S3 Ag7 S2 137.92(9) . . ?
O2 Ag7 Ag4 149.4(4) 2_666 . ?
O2 Ag7 Ag5 149.2(4) 2_666 . ?
O2 Ag7 Ag6 117.3(3) 2_666 . ?
O2 Ag7 Ag12 60.6(3) 2_666 2_666 ?
O2 Ag7 Ag1 65.4(4) 2_666 2_666 ?
O2 Ag7 S2 97.2(4) 2_666 . ?
O2 Ag7 S3 95.9(4) 2_666 . ?
O12 Ag7 Ag4 91.5(5) . . ?
O12 Ag7 Ag5 92.6(5) . . ?
O12 Ag7 Ag6 139.9(5) . . ?
O12 Ag7 Ag12 135.9(6) . 2_666 ?
O12 Ag7 Ag1 146.0(7) . 2_666 ?
O12 Ag7 S2 105.9(5) . . ?
O12 Ag7 S3 109.8(5) . . ?
O12 Ag7 O2 102.8(6) . 2_666 ?
Ag3 Ag8 Ag4 53.27(3) . . ?
Ag3 Ag8 Ag6 52.97(2) . . ?
Ag3 Ag8 Ag12 122.2(2) . 2_666 ?
Ag3 Ag8 Ag1 114.6(4) . 2_666 ?
Ag4 Ag8 Ag6 52.24(2) . . ?
Ag4 Ag8 Ag12 89.18(7) . 2_666 ?
Ag4 Ag8 Ag1 88.91(11) . 2_666 ?
Ag6 Ag8 Ag12 69.5(2) . 2_666 ?
Ag1 Ag8 Ag6 61.7(3) 2_666 . ?
S1 Ag8 Ag3 51.83(6) . . ?
S1 Ag8 Ag4 102.85(6) . . ?
S1 Ag8 Ag6 70.31(6) . . ?
S1 Ag8 Ag12 116.0(3) . 2_666 ?
S1 Ag8 Ag1 106.1(5) . 2_666 ?
S1 Ag8 S2 139.21(9) . . ?
S2 Ag8 Ag3 102.75(6) . . ?
S2 Ag8 Ag4 51.72(6) . . ?
S2 Ag8 Ag6 68.97(6) . . ?
S2 Ag8 Ag12 45.15(15) . 2_666 ?
S2 Ag8 Ag1 50.8(3) . 2_666 ?
O9 Ag8 Ag3 137.2(3) . . ?
O9 Ag8 Ag4 142.4(3) . . ?
O9 Ag8 Ag6 163.7(3) . . ?
O9 Ag8 Ag12 99.9(4) . 2_666 ?
O9 Ag8 Ag1 106.2(4) . 2_666 ?
O9 Ag8 S1 105.5(4) . . ?
O9 Ag8 S2 112.9(4) . . ?
O17 Ag8 Ag3 91.8(9) . . ?
O17 Ag8 Ag4 96.2(9) . . ?
O17 Ag8 Ag6 141.5(9) . . ?
O17 Ag8 S1 101.7(10) . . ?
O17 Ag8 S2 111.4(10) . . ?
Ag1A Ag9 Ag3 54.01(17) . . ?
Ag1A Ag9 Ag6 51.93(17) . . ?
Ag1A Ag9 Ag11 120.23(17) . 2_666 ?
Ag1B Ag9 Ag6 53.4(3) . . ?
Ag3 Ag9 Ag1B 56.5(4) . . ?
Ag3 Ag9 Ag6 53.56(2) . . ?
Ag3 Ag9 Ag11 92.13(3) . 2_666 ?
Ag11 Ag9 Ag6 68.31(3) 2_666 . ?
S1 Ag9 Ag1A 103.84(18) . . ?
S1 Ag9 Ag1B 106.3(4) . . ?
S1 Ag9 Ag3 52.73(6) . . ?
S1 Ag9 Ag6 70.17(6) . . ?
S1 Ag9 Ag11 48.75(6) . 2_666 ?
S4 Ag9 Ag1A 54.05(18) . . ?
S4 Ag9 Ag1B 51.9(3) . . ?
S4 Ag9 Ag3 106.03(6) . . ?
S4 Ag9 Ag6 70.69(6) . . ?
S4 Ag9 Ag11 109.58(7) . 2_666 ?
S4 Ag9 S1 140.39(9) . . ?
O6 Ag9 Ag1A 145.2(4) . . ?
O6 Ag9 Ag1B 143.3(5) . . ?
O6 Ag9 Ag3 137.3(3) . . ?
O6 Ag9 Ag6 161.1(3) . . ?
O6 Ag9 Ag11 94.0(3) . 2_666 ?
O6 Ag9 S1 103.7(4) . . ?
O6 Ag9 S4 111.4(4) . . ?
O6 Ag9 O18 81.5(13) . . ?
O18 Ag9 Ag1A 68.6(13) . . ?
O18 Ag9 Ag1B 68.0(13) . . ?
O18 Ag9 Ag3 78.1(13) . . ?
O18 Ag9 Ag6 117.4(13) . . ?
O18 Ag9 Ag11 159.1(12) . 2_666 ?
O18 Ag9 S1 112.3(12) . . ?
O18 Ag9 S4 91.0(12) . . ?
Ag1A Ag10 Ag5 54.27(16) . . ?
Ag1A Ag10 Ag6 51.83(16) . . ?
Ag1A Ag10 Ag11 119.54(16) . . ?
Ag1B Ag10 Ag5 55.0(2) . . ?
Ag1B Ag10 Ag6 54.6(4) . . ?
Ag1B Ag10 Ag11 122.3(4) . . ?
Ag1B Ag10 Ag1 92.3(3) . . ?
Ag5 Ag10 Ag6 53.65(2) . . ?
Ag5 Ag10 Ag11 90.84(4) . . ?
Ag5 Ag10 Ag1 119.6(3) . . ?
Ag6 Ag10 Ag11 67.72(3) . . ?
Ag6 Ag10 Ag1 66.0(3) . . ?
Ag11 Ag10 Ag1 63.7(4) . . ?
S3 Ag10 Ag1A 104.28(17) . . ?
S3 Ag10 Ag1B 105.8(3) . . ?
S3 Ag10 Ag5 53.14(7) . . ?
S3 Ag10 Ag6 70.09(7) . . ?
S3 Ag10 Ag11 46.92(6) . . ?
S3 Ag10 Ag1 107.3(5) . . ?
S3 Ag10 O1 99.0(3) . 2_666 ?
S4 Ag10 Ag1A 53.55(16) . . ?
S4 Ag10 Ag1B 53.72(19) . . ?
S4 Ag10 Ag5 105.95(6) . . ?
S4 Ag10 Ag6 70.83(6) . . ?
S4 Ag10 Ag11 110.70(7) . . ?
S4 Ag10 Ag1 49.4(4) . . ?
S4 Ag10 S3 140.43(9) . . ?
S4 Ag10 O1 94.7(3) . 2_666 ?
O1 Ag10 Ag1A 148.0(3) 2_666 . ?
O1 Ag10 Ag1B 148.4(3) 2_666 . ?
O1 Ag10 Ag5 152.0(3) 2_666 . ?
O1 Ag10 Ag6 119.4(2) 2_666 . ?
O1 Ag10 Ag11 63.7(2) 2_666 . ?
O1 Ag10 Ag1 61.3(3) 2_666 . ?
O14 Ag10 Ag1B 140.4(9) 2_666 . ?
O14 Ag10 Ag5 131.2(7) 2_666 . ?
O14 Ag10 Ag6 164.9(8) 2_666 . ?
O14 Ag10 Ag11 97.3(8) 2_666 . ?
O14 Ag10 Ag1 106.8(7) 2_666 . ?
O14 Ag10 S3 101.1(8) 2_666 . ?
O14 Ag10 S4 115.5(7) 2_666 . ?
O19 Ag10 Ag1A 87.6(6) . . ?
O19 Ag10 Ag5 89.3(6) . . ?
O19 Ag10 Ag6 135.3(6) . . ?
O19 Ag10 Ag11 145.8(6) . . ?
O19 Ag10 S3 109.8(6) . . ?
O19 Ag10 S4 102.1(6) . . ?
O19 Ag10 O1 105.0(6) . 2_666 ?
Ag9 Ag11 Ag10 167.70(5) 2_666 . ?
S1 Ag11 Ag9 50.51(7) 2_666 2_666 ?
S1 Ag11 Ag10 132.87(8) 2_666 . ?
S1 Ag11 S5 107.82(7) 2_666 . ?
S3 Ag11 Ag9 137.83(9) . 2_666 ?
S3 Ag11 Ag10 48.61(7) . . ?
S3 Ag11 S1 145.49(10) . 2_666 ?
S3 Ag11 S5 106.38(7) . . ?
S5 Ag11 Ag9 85.49(3) . 2_666 ?
S5 Ag11 Ag10 82.29(4) . . ?
Ag7 Ag12 Ag8 86.29(11) 2_666 2_666 ?
S2 Ag12 Ag7 48.61(10) 2_666 2_666 ?
S2 Ag12 Ag8 48.17(10) 2_666 2_666 ?
S2 Ag12 S5 102.3(4) 2_666 . ?
S4 Ag12 Ag7 138.62(16) . 2_666 ?
S4 Ag12 Ag8 134.55(17) . 2_666 ?
S4 Ag12 S2 160.8(8) . 2_666 ?
S4 Ag12 S5 96.7(4) . . ?
S5 Ag12 Ag7 82.0(3) . 2_666 ?
S5 Ag12 Ag8 80.3(3) . 2_666 ?
Ag6 Ag1 Ag7 58.18(18) 2_666 2_666 ?
Ag6 Ag1 Ag10 121.8(8) 2_666 . ?
Ag7 Ag1 Ag10 176.5(4) 2_666 . ?
Ag8 Ag1 Ag6 59.2(3) 2_666 2_666 ?
Ag8 Ag1 Ag7 88.61(14) 2_666 2_666 ?
Ag8 Ag1 Ag10 94.2(3) 2_666 . ?
S2 Ag1 Ag6 67.3(3) 2_666 2_666 ?
S2 Ag1 Ag7 48.33(14) 2_666 2_666 ?
S2 Ag1 Ag8 49.88(14) 2_666 2_666 ?
S2 Ag1 Ag10 135.1(3) 2_666 . ?
S2 Ag1 S4 134.3(11) 2_666 . ?
S4 Ag1 Ag6 158.3(8) . 2_666 ?
S4 Ag1 Ag7 130.4(7) . 2_666 ?
S4 Ag1 Ag8 132.9(3) . 2_666 ?
S4 Ag1 Ag10 48.22(11) . . ?
S5 Ag1 Ag6 49.6(4) . 2_666 ?
S5 Ag1 Ag7 91.5(4) . 2_666 ?
S5 Ag1 Ag8 92.7(7) . 2_666 ?
S5 Ag1 Ag10 86.3(5) . . ?
S5 Ag1 S2 116.8(7) . 2_666 ?
S5 Ag1 S4 108.8(4) . . ?
Ag8 S1 Ag3 77.23(8) . . ?
Ag8 S1 Ag9 129.86(10) . . ?
Ag9 S1 Ag3 74.96(7) . . ?
Ag11 S1 Ag3 130.80(11) 2_666 . ?
Ag11 S1 Ag8 87.13(9) 2_666 . ?
Ag11 S1 Ag9 80.74(9) 2_666 . ?
C8 S1 Ag3 111.7(5) . . ?
C8 S1 Ag8 113.1(5) . . ?
C8 S1 Ag9 115.7(5) . . ?
C8 S1 Ag11 117.4(5) . 2_666 ?
Ag7 S2 Ag4 75.72(8) . . ?
Ag7 S2 Ag1 82.83(17) . 2_666 ?
Ag8 S2 Ag4 77.60(8) . . ?
Ag8 S2 Ag7 131.81(10) . . ?
Ag8 S2 Ag1 79.4(4) . 2_666 ?
Ag12 S2 Ag4 136.7(4) 2_666 . ?
Ag12 S2 Ag7 86.1(2) 2_666 . ?
Ag12 S2 Ag8 86.7(2) 2_666 . ?
Ag12 S2 Ag1 13.6(2) 2_666 2_666 ?
Ag1 S2 Ag4 123.3(6) 2_666 . ?
C3 S2 Ag4 110.2(5) . . ?
C3 S2 Ag7 113.1(4) . . ?
C3 S2 Ag8 113.5(4) . . ?
C3 S2 Ag12 113.1(7) . 2_666 ?
C3 S2 Ag1 126.5(8) . 2_666 ?
Ag7 S3 Ag5 74.81(8) . . ?
Ag7 S3 Ag10 129.96(11) . . ?
Ag10 S3 Ag5 75.22(8) . . ?
Ag11 S3 Ag5 132.41(11) . . ?
Ag11 S3 Ag7 87.20(9) . . ?
Ag11 S3 Ag10 84.48(10) . . ?
C6 S3 Ag5 115.5(6) . . ?
C6 S3 Ag7 119.4(6) . . ?
C6 S3 Ag10 109.4(6) . . ?
C6 S3 Ag11 111.7(6) . . ?
Ag1B S4 Ag1 128.3(7) . . ?
Ag9 S4 Ag1A 73.6(2) . . ?
Ag9 S4 Ag1B 76.8(5) . . ?
Ag9 S4 Ag10 128.77(10) . . ?
Ag9 S4 Ag1 85.23(17) . . ?
Ag10 S4 Ag1A 74.3(2) . . ?
Ag10 S4 Ag1B 72.9(3) . . ?
Ag10 S4 Ag1 82.4(4) . . ?
Ag12 S4 Ag1A 139.0(5) . . ?
Ag12 S4 Ag9 88.9(2) . . ?
Ag12 S4 Ag10 90.0(2) . . ?
C1 S4 Ag1A 109.2(5) . . ?
C1 S4 Ag1B 106.7(6) . . ?
C1 S4 Ag9 112.7(4) . . ?
C1 S4 Ag10 115.0(4) . . ?
C1 S4 Ag12 111.8(6) . . ?
C1 S4 Ag1 125.0(7) . . ?
Ag6 S5 Ag6 180.0 2_666 . ?
Ag6 S5 Ag11 90.54(3) 2_666 2_666 ?
Ag6 S5 Ag11 90.54(3) . . ?
Ag6 S5 Ag11 89.46(3) . 2_666 ?
Ag6 S5 Ag11 89.46(3) 2_666 . ?
Ag6 S5 Ag12 93.39(5) . . ?
Ag6 S5 Ag12 86.61(5) 2_666 . ?
Ag6 S5 Ag12 93.39(5) 2_666 2_666 ?
Ag6 S5 Ag12 86.61(5) . 2_666 ?
Ag11 S5 Ag11 180.0 2_666 . ?
Ag11 S5 Ag12 92.65(8) 2_666 2_666 ?
Ag11 S5 Ag12 87.35(8) . 2_666 ?
Ag11 S5 Ag12 92.65(8) . . ?
Ag11 S5 Ag12 87.35(8) 2_666 . ?
Ag12 S5 Ag12 180.0 . 2_666 ?
Ag1 S5 Ag6 85.54(16) 2_666 . ?
Ag1 S5 Ag6 94.46(16) . . ?
Ag1 S5 Ag11 89.4(3) 2_666 . ?
Ag1 S5 Ag11 90.6(3) . . ?
Ag1 S5 Ag1 180.0 2_666 . ?
C5 O1 Ag10 144.0(9) . 2_666 ?
C9 O2 Ag7 150.2(13) . 2_666 ?
C13 O3 Ag2 122.0(11) . . ?
C14 O4 Ag2 119.1(9) . . ?
C16 O5 Ag2 122.6(9) . . ?
C9 O6 Ag9 112.3(10) . . ?
C16 O7 Ag3 123.7(10) . . ?
C13 O8 Ag1A 116.0(17) . . ?
C5 O9 Ag8 103.6(10) . . ?
C10 O10 Ag5 128.3(12) . . ?
C14 O11 Ag4 115.1(15) . . ?
C31 O12 Ag7 122.7(19) . . ?
C14 O13 Ag4 114.7(14) . . ?
C13 O15 Ag1B 115.5(18) . . ?
C39 O17 Ag8 124(4) . . ?
C42 O18 Ag9 141(3) . . ?
C45 O19 Ag10 117.2(19) . . ?
C45 O20 Ag5 158(2) . . ?
C10 N1 C21 115.8(16) . . ?
C10 N1 C22 111(2) . . ?
C10 N1 C35 114(2) . . ?
C21 N1 C22 118(3) . . ?
C21 N1 C35 122(3) . . ?
C31 N2 C32 123(2) . . ?
C31 N2 C33 128(3) . . ?
C33 N2 C32 101(2) . . ?
C39 N4 C38 136(5) . . ?
C40 N4 C38 119(2) . . ?
C40 N4 C39 102(5) . . ?
C42 N5 C43 118(2) . . ?
C42 N5 C44 114.5(18) . . ?
C44 N5 C43 127(2) . . ?
C45 N6 C46 112.2(18) . . ?
C47 N6 C45 147(2) . . ?
C47 N6 C46 101.0(18) . . ?
C7 C1 S4 109.5(8) . . ?
C12 C1 S4 108.9(9) . . ?
C12 C1 C7 116.5(13) . . ?
C2 C3 S2 112.3(9) . . ?
C4 C3 S2 111.4(9) . . ?
C4 C3 C2 119.8(14) . . ?
O1 C5 O9 121.3(14) . . ?
O1 C5 C19 116.1(12) . . ?
O9 C5 C19 122.6(13) . . ?
C27 C6 S3 103.5(17) . . ?
C28 C6 S3 109(2) . . ?
C28 C6 C29 122(3) . . ?
C29 C6 S3 112.9(18) . . ?
C30 C6 S3 99.0(12) . . ?
C30 C6 C27 94(2) . . ?
C23 C8 S1 109.3(11) . . ?
C23 C8 C24 111.1(12) . . ?
C24 C8 S1 109.1(13) . . ?
C25 C8 S1 108.3(19) . . ?
C26 C8 S1 102.8(13) . . ?
C26 C8 C25 110.2(14) . . ?
O2 C9 O6 122.4(17) . . ?
O2 C9 C11 126.6(17) . . ?
O6 C9 C11 110.9(14) . . ?
O10 C10 N1 126.1(17) . . ?
F1 C11 F4 103.8(19) . . ?
F1 C11 C9 117.4(17) . . ?
F2 C11 F1 104.6(19) . . ?
F2 C11 F4 106.5(17) . . ?
F2 C11 C9 113.3(18) . . ?
F4 C11 C9 110.3(17) . . ?
O3 C13 O8 121.5(17) . . ?
O3 C13 C34 111.8(11) . . ?
O8 C13 C34 116.8(16) . . ?
O15 C13 O3 136(2) . . ?
O15 C13 C34 112.2(14) . . ?
O4 C14 O13 131.6(15) . . ?
O4 C14 C17 110.6(11) . . ?
O11 C14 O4 122.5(18) . . ?
O11 C14 C17 120.8(14) . . ?
O13 C14 C17 115.9(14) . . ?
F3 C15 F5 109.6(13) . . ?
F3 C15 F6 110.2(13) . . ?
F3 C15 C16 115.3(16) . . ?
F5 C15 C16 103.1(17) . . ?
F6 C15 F5 109.3(12) . . ?
F6 C15 C16 109.0(16) . . ?
F7 C15 F9 108.3(14) . . ?
F7 C15 C16 102(2) . . ?
F8 C15 F7 110.5(14) . . ?
F8 C15 F9 110.5(14) . . ?
F8 C15 C16 116.5(17) . . ?
F9 C15 C16 108.1(19) . . ?
O5 C16 O7 126.9(14) . . ?
O5 C16 C15 116.0(12) . . ?
O7 C16 C15 115.7(12) . . ?
F10 C17 C14 99(2) . . ?
F11 C17 F10 108.0(14) . . ?
F11 C17 C14 119.4(15) . . ?
F12 C17 F10 110.1(14) . . ?
F12 C17 F11 110.3(13) . . ?
F12 C17 C14 109.5(14) . . ?
F13 C17 F15 106(2) . . ?
F13 C17 C14 111.3(14) . . ?
F14 C17 F13 88(2) . . ?
F14 C17 F15 124(2) . . ?
F14 C17 C14 114.3(15) . . ?
F15 C17 C14 110.1(15) . . ?
O1 C18 O14 108(2) . . ?
O1 C18 C20 126.5(15) . . ?
O14 C18 C20 125.9(16) . . ?
F16 C19 F17 104.7(12) . . ?
F16 C19 F18 104.6(12) . . ?
F16 C19 C5 112.0(14) . . ?
F17 C19 F18 103.8(13) . . ?
F17 C19 C5 118.8(15) . . ?
F18 C19 C5 111.6(15) . . ?
F19 C20 F20 103(2) . . ?
F19 C20 F21 104(2) . . ?
F19 C20 C18 115.2(19) . . ?
F20 C20 C18 115.6(18) . . ?
F21 C20 F20 102(2) . . ?
F21 C20 C18 115.8(18) . . ?
O12 C31 N2 123(3) . . ?
F22 C34 C13 106.2(13) . . ?
F23 C34 F22 108.5(14) . . ?
F23 C34 F24 112.2(14) . . ?
F23 C34 C13 110.1(13) . . ?
F24 C34 F22 109.0(14) . . ?
F24 C34 C13 110.6(13) . . ?
F25 C34 C13 114.5(18) . . ?
F26 C34 F25 102(2) . . ?
F26 C34 F27 102(2) . . ?
F26 C34 C13 113.2(17) . . ?
F27 C34 F25 122(2) . . ?
F27 C34 C13 103.4(17) . . ?
O17 C39 N4 144(6) . . ?
O18 C42 N5 120(3) . . ?
O19 C45 N6 113(2) . . ?
O20 C45 N6 141(3) . . ?
C36 N3 C41 97(3) . . ?
C37 N3 C36 113(2) . . ?
C37 N3 C41 143(3) . . ?
O16 C37 N3 124(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.578
_oxdiff_exptl_absorpt_empirical_full_min 0.593
####################################################################### 
# 
# 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_ag24-c2f5
_database_code_depnum_ccdc_archive 'CCDC 2182450'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-06-28 deposited with the CCDC.	2022-08-29 downloaded from the CCDC.
;
_audit_creation_date             2022-03-08
_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         'C62 H77 Ag24 F50 N5 O25 S9'
_chemical_formula_sum            'C62 H77 Ag24 F50 N5 O25 S9'
_chemical_formula_weight         5119.70
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     ' '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   14.9116(3)
_cell_length_b                   16.3962(2)
_cell_length_c                   18.2438(3)
_cell_angle_alpha                97.0910(10)
_cell_angle_beta                 112.841(2)
_cell_angle_gamma                104.1620(10)
_cell_volume                     3864.89(12)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    11547
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      73.9910
_cell_measurement_theta_min      2.9990
_shelx_estimated_absorpt_T_max   0.306
_shelx_estimated_absorpt_T_min   0.231
_exptl_absorpt_coefficient_mu    25.887
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16010
_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    2.200
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2406
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_unetI/netI     0.0726
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33822
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.584
_diffrn_reflns_theta_min         2.710
_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 0.987
_diffrn_measured_fraction_theta_max 0.947
_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  15.00   0.50    0.50    --    0.00 -38.00  90.00  208
  2  ω    -23.00  88.00   0.50    0.50    --    0.00  57.00  60.00  222
  3  ω      7.00 121.00   0.50    3.00    --   95.80 -82.00-150.00  228
  4  ω     36.00 123.00   0.50    3.00    --   95.80 -15.00  60.00  174
  5  ω     78.00 105.00   0.50    3.00    --   95.80  30.00  60.00   54
  6  ω      8.00  34.00   0.50    3.00    --   95.80 -82.00  60.00   52
  7  ω      6.00 108.00   0.50    3.00    --   95.80 -61.00-150.00  204
  8  ω     47.00 125.00   0.50    3.00    --   95.80 -82.00  60.00  156
  9  ω     43.00 119.00   0.50    3.00    --   95.80 -61.00  60.00  152
 10  ω     17.00  93.00   0.50    3.00    --   95.80 -61.00 -30.00  152
 11  ω     16.00 117.00   0.50    3.00    --   95.80 -82.00 -30.00  202
 12  ω    127.00 185.00   0.50    3.00    --   95.80  30.00  60.00  116
 13  ω     76.00 184.00   0.50    3.00    --   95.80  30.00  90.00  216
 14  ω     63.00 114.00   0.50    3.00    --   95.80 -30.00  60.00  102
;
_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      0.0810409000
_diffrn_orient_matrix_UB_12      0.0095156000
_diffrn_orient_matrix_UB_13      -0.0337599000
_diffrn_orient_matrix_UB_21      0.0700380000
_diffrn_orient_matrix_UB_22      -0.0259329000
_diffrn_orient_matrix_UB_23      0.0744047000
_diffrn_orient_matrix_UB_31      -0.0502711000
_diffrn_orient_matrix_UB_32      -0.0960413000
_diffrn_orient_matrix_UB_33      -0.0474693000
_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                10588
_reflns_number_total             15003
_reflns_odcompleteness_completeness 98.78
_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         1.899
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.340
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1424
_refine_ls_number_reflns         15003
_refine_ls_number_restraints     5120
_refine_ls_R_factor_all          0.1286
_refine_ls_R_factor_gt           0.0995
_refine_ls_restrained_S_all      0.968
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1960P)²+35.8638P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3071
_refine_ls_wR_factor_ref         0.3306
_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
 O6-C7 = O5-C7
 1.2 with sigma of 0.02
 C8-C7
 1.51 with sigma of 0.01
 C8-C9
 1.51 with sigma of 0.01
 S1-C1AA
 1.85 with sigma of 0.02
 S5-C50
 1.85 with sigma of 0.02
 C69-C50 = C92-C50
 1.53 with sigma of 0.01
 C39-C2AA = C79-C2AA
 1.53 with sigma of 0.01
 N10-C0AA = N10-C55
 1.45 with sigma of 0.02
 C7AA-N10
 1.4 with sigma of 0.02
 C7AA-O0AA
 1.2 with sigma of 0.02
 C31-O4AA
 1.2 with sigma of 0.02
 N8-C44 = N8-C53
 1.45 with sigma of 0.02
 O9-C13 = O10-C13
 1.2 with sigma of 0.02
 C14-C13
 1.5 with sigma of 0.01
 C15-C14
 1.5 with sigma of 0.02
 O3AA-C54
 1.2 with sigma of 0.02
 C54-N38
 1.45 with sigma of 0.02
 O4-C4 = O3-C4
 1.2 with sigma of 0.02
 C4-C5
 1.51 with sigma of 0.01
 N2-C4AA
 1.4 with sigma of 0.02
 O23-C4AA
 1.2 with sigma of 0.02
 O23-Ag7
 2.5 with sigma of 0.02
 S3-C48
 1.85 with sigma of 0.01
 C80-C48
 1.53 with sigma of 0.01
 S3-C48 = S3-C100
 1.85 with sigma of 0.02
 C77-C48 = C6AA-C100 = C63-C48 = C80-C100
 1.53 with sigma of 0.01
 C1AA-C5AA = C1AA-C34
 1.53 with sigma of 0.01
 C8AA-C1AA = C9AA-C1AA
 1.53 with sigma of 0.01
 O16-C22 = O15-C22
 1.2 with sigma of 0.02
 C23-C22
 1.51 with sigma of 0.01
 O18-Ag8_$1
 2.3 with sigma of 0.02
 O2-C1 = O1-C1
 1.2 with sigma of 0.02
 C3-F4 = C3-F5 = C3-F3 = C3-C2
 1.51 with sigma of 0.01
 F2-C2 = F1-C2 = F3-C3 = F4-C3 = F5-C3
 1.4 with sigma of 0.01
 C35-O43
 1.2 with sigma of 0.02
 N38-C66
 1.45 with sigma of 0.02
 N38-C1BA
 1.45 with sigma of 0.02
 H66C-F3
 2 with sigma of 0.02
 N2-C3AA = N2-C29
 1.45 with sigma of 0.02
 N33-C116 = N33-C35 = N33-C56
 1.45 with sigma of 0.01
 C63-C77
 2.4 with sigma of 0.04
 C7AA-C55
 2.4 with sigma of 0.04
 C0AA-C55
 2.4 with sigma of 0.04
 C0AA-C7AA
 2.4 with sigma of 0.04
 O10-O9
 2.2 with sigma of 0.04
 F21-F22
 2.2 with sigma of 0.04
 N2-O23
 2.2 with sigma of 0.04
 F4-C2
 2.5 with sigma of 0.04
 C54-C66
 2.4 with sigma of 0.04
 C1BA-C66
 2.4 with sigma of 0.04
 C54-C1BA
 2.4 with sigma of 0.04
 C116-C35
 2.4 with sigma of 0.04
 O23-C29
 2.4 with sigma of 0.04
 C56-C35
 2.4 with sigma of 0.04
 C116-C56
 2.4 with sigma of 0.04
 C14-O9 \\sim C14-O10
 with sigma of 0.02
 C14-F25 \\sim C14-F24 \\sim C14-F23
 with sigma of 0.02
 F25-F24 \\sim F25-F23 \\sim F24-F23
 with sigma of 0.02
 O5-C7 \\sim O6-C7 \\sim O8-C10 \\sim O7-C10
 with sigma of 0.02
 C3-F1 \\sim C3-F2 \\sim F1-F2
 with sigma of 0.02
 F4-F5 \\sim F4-F3 \\sim F5-F3
 with sigma of 0.02
 C2-F5 \\sim F3-C2 \\sim C2-F4
 with sigma of 0.02
3. Restrained planarity
 O0AA, N10, C0AA, C7AA, C55
 with sigma of 0.1
 O9, O10, C13, C14
 with sigma of 0.1
 O4AA, N8, C31, C44, C53
 with sigma of 0.1
 O18, C25, O17, C26
 with sigma of 0.1
 O3AA, N38, C1BA, C54, C66
 with sigma of 0.1
 O23, N2, C3AA, C4AA, C29
 with sigma of 0.1
 O43, C35, N33, C56, C116
 with sigma of 0.1
4. Rigid bond restraints
 F21, F22, F23, F24, F25, O9, O10, C13, C14, C15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 S3, C6AA, C48, C63, C77, C80, C100
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C1AA, C5AA, C8AA, C9AA, C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
C50 \\sim C69 \\sim C92: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.01
S2 \\sim C2AA \\sim C39 \\sim C79: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01
Ag5 \\sim O0AA \\sim N10 \\sim C0AA \\sim C7AA \\sim C55: within 3A with sigma
of 0.01 and sigma for terminal atoms of 0.01
Ag9 \\sim O4AA \\sim N8 \\sim C31 \\sim C44 \\sim C53: within 3A with sigma of
0.01 and sigma for terminal atoms of 0.01
Ag6 \\sim F16 \\sim F17 \\sim F18 \\sim F19 \\sim F20 \\sim O7 \\sim O8 \\sim
C10 \\sim C11 \\sim C12: within 3A with sigma of 0.01 and sigma for terminal
atoms of 0.01
Ag2 \\sim F11 \\sim F12 \\sim F13 \\sim F14 \\sim F15 \\sim O5 \\sim C7 \\sim
C8 \\sim C9: within 3A with sigma of 0.01 and sigma for terminal atoms of 0.01
F6 \\sim F7 \\sim F8 \\sim F9 \\sim F10 \\sim O3 \\sim O4 \\sim C4 \\sim C5
\\sim C6: within 3A with sigma of 0.01 and sigma for terminal atoms of 0.01
Ag2 \\sim Ag6 \\sim F11 \\sim F12 \\sim F13 \\sim F14 \\sim F15 \\sim O5 \\sim
O6 \\sim C7 \\sim C8 \\sim C9 \\sim F16 \\sim F17 \\sim F18 \\sim F19 \\sim F20
\\sim O7 \\sim O8 \\sim C10 \\sim C11 \\sim C12: within 3A with sigma of 0.01
and sigma for terminal atoms of 0.01
Ag7 \\sim F26 \\sim F27 \\sim F28 \\sim F29 \\sim F30 \\sim O11 \\sim O12 \\sim
C16 \\sim C17 \\sim C18: within 3A with sigma of 0.01 and sigma for terminal
atoms of 0.01
Ag7 \\sim F26 \\sim F27 \\sim F28 \\sim F29 \\sim F30 \\sim O11 \\sim O12 \\sim
C16 \\sim C17 \\sim C18 \\sim F31 \\sim F32 \\sim F33 \\sim F34 \\sim F35 \\sim
O13 \\sim O14 \\sim C19 \\sim C20 \\sim C21: within 3A with sigma of 0.01 and
sigma for terminal atoms of 0.01
Ag4 \\sim O4 \\sim F10 \\sim C6 \\sim F8 \\sim F9 \\sim F7 \\sim C5 \\sim F6
\\sim C4 \\sim O3 \\sim Ag2: within 3A with sigma of 0.01 and sigma for
terminal atoms of 0.01
F36 \\sim F37 \\sim F38 \\sim F39 \\sim F40 \\sim O16 \\sim C22 \\sim C23 \\sim
C24 \\sim F41 \\sim F42 \\sim F43 \\sim F44 \\sim F45 \\sim O18 \\sim C25 \\sim
C26 \\sim C27 \\sim O15 \\sim O17 \\sim Ag10: within 3A with sigma of 0.01 and
sigma for terminal atoms of 0.01
Ag2 \\sim Ag3 \\sim F1 \\sim F3 \\sim F2 \\sim F4 \\sim F5 \\sim O1 \\sim O2
\\sim C1 \\sim C2 \\sim C3: within 3A with sigma of 0.01 and sigma for terminal
atoms of 0.01
Ag10 \\sim O3AA \\sim N38 \\sim C1BA \\sim C54 \\sim C66: within 3A with sigma
of 0.01 and sigma for terminal atoms of 0.01
Ag7 \\sim O23 \\sim N2 \\sim C3AA \\sim C4AA \\sim C29: within 3A with sigma of
0.01 and sigma for terminal atoms of 0.01
C116 \\sim N33 \\sim C56 \\sim C35 \\sim O43 \\sim Ag8: within 3A with sigma of
0.01 and sigma for terminal atoms of 0.01
Uanis(Ag19) \\sim Ueq, Uanis(Ag12) \\sim Ueq, Uanis(Ag18) \\sim Ueq,
Uanis(Ag15) \\sim Ueq, Uanis(Ag14) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Ag15) \\sim Ueq, Uanis(Ag14) \\sim Ueq, Uanis(Ag16) \\sim Ueq,
Uanis(Ag12) \\sim Ueq, Uanis(Ag13) \\sim Ueq, Uanis(Ag11) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag16) \\sim Ueq, Uanis(Ag11) \\sim Ueq, Uanis(Ag13) \\sim Ueq,
Uanis(Ag17) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C0AA) \\sim Ueq, Uanis(N10) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C7AA)
\\sim Ueq, Uanis(O0AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C14) \\sim Ueq, Uanis(F21) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(F24)
\\sim Ueq, Uanis(F25) \\sim Ueq, Uanis(F23) \\sim Ueq, Uanis(F22) \\sim Ueq,
Uanis(O9) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(O10) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(F11) \\sim Ueq, Uanis(F12) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14)
\\sim Ueq, Uanis(F15) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O6) \\sim Ueq,
Uanis(C7) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(F16) \\sim
Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq, Uanis(F19) \\sim Ueq,
Uanis(F20) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C11)
\\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(O8) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C5) \\sim
Ueq, Uanis(C6) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F9)
\\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F8) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C5) \\sim
Ueq, Uanis(C6) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8)
\\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F10) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C69) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C92) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C2AA) \\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C39) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C6AA) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C48)
\\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C80) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C5AA) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C34) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C8AA) \\sim Ueq, Uanis(C9AA) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F26) \\sim Ueq, Uanis(F27) \\sim Ueq, Uanis(F28) \\sim Ueq, Uanis(F29)
\\sim Ueq, Uanis(F30) \\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(O12) \\sim Ueq,
Uanis(C16) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(F31)
\\sim Ueq, Uanis(F32) \\sim Ueq, Uanis(F33) \\sim Ueq, Uanis(F34) \\sim Ueq,
Uanis(F35) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O14) \\sim Ueq, Uanis(C19)
\\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C21) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(F36) \\sim Ueq, Uanis(F37) \\sim Ueq, Uanis(F38) \\sim Ueq, Uanis(F39)
\\sim Ueq, Uanis(F40) \\sim Ueq, Uanis(O15) \\sim Ueq, Uanis(O16) \\sim Ueq,
Uanis(C22) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(F41)
\\sim Ueq, Uanis(F42) \\sim Ueq, Uanis(F43) \\sim Ueq, Uanis(F44) \\sim Ueq,
Uanis(F45) \\sim Ueq, Uanis(O17) \\sim Ueq, Uanis(O18) \\sim Ueq, Uanis(C25)
\\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C27) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O2) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(F1) \\sim
Ueq, Uanis(F2) \\sim Ueq, Uanis(F5) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(F4) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C29) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(C3AA) \\sim Ueq, Uanis(C4AA)
\\sim Ueq, Uanis(O23) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
6. Same fragment restrains
{F1, F2, F3, F4, F5, O1, O2, C1, C2, C3} sigma for 1-2: 0.02, 1-3: 0.04
as
{F21, F22, F23, F24, F25, O9, O10, C13, C14, C15}
{F1, F2, F3, F4, F5, O1, O2, C1, C2, C3} sigma for 1-2: 0.02, 1-3: 0.04
as
{F6, F7, F8, F9, F10, O3, O4, C4, C5, C6}
{F1, F2, F3, F4, F5, O1, O2, C1, C2, C3} sigma for 1-2: 0.02, 1-3: 0.04
as
{F11, F12, F13, F14, F15, O5, O6, C7, C8, C9}
{F1, F2, F3, F4, F5, O1, O2, C1, C2, C3} sigma for 1-2: 0.02, 1-3: 0.04
as
{F16, F17, F18, F19, F20, O7, O8, C10, C11, C12}
{F1, F2, F3, F4, F5, O1, O2, C1, C2, C3} sigma for 1-2: 0.02, 1-3: 0.04
as
{F26, F27, F28, F29, F30, O11, O12, C16, C17, C18}
{F1, F2, F3, F4, F5, O1, O2, C1, C2, C3} sigma for 1-2: 0.02, 1-3: 0.04
as
{F31, F32, F33, F34, F35, O13, O14, C19, C20, C21}
{F1, F2, F3, F4, F5, O1, O2, C1, C2, C3} sigma for 1-2: 0.02, 1-3: 0.04
as
{F36, F37, F38, F39, F40, O15, O16, C22, C23, C24}
{F1, F2, F3, F4, F5, O1, O2, C1, C2, C3} sigma for 1-2: 0.02, 1-3: 0.04
as
{F41, F42, F43, F44, F45, O17, O18, C25, C26, C27}
7. Others
 Sof(F16)=Sof(F17)=Sof(F18)=Sof(F19)=Sof(F20)=Sof(O7)=Sof(O8)=Sof(C10)=
 Sof(C11)=Sof(C12)=1-FVAR(1)
 Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O5)=Sof(O6)=Sof(C7)=Sof(C8)=
 Sof(C9)=FVAR(1)
 Sof(C6AA)=Sof(H6AA)=Sof(H6AB)=Sof(H6AC)=Sof(C80)=Sof(H80A)=Sof(H80B)=
 Sof(H80C)=Sof(C100)=Sof(H100)=1-FVAR(2)
 Sof(C48)=Sof(H48)=Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(H63C)=Sof(C77)=Sof(H77A)=
 Sof(H77B)=Sof(H77C)=FVAR(2)
 Sof(H1AB)=Sof(C9AA)=Sof(H9AA)=Sof(H9AB)=Sof(H9AC)=Sof(C34)=Sof(H34A)=
 Sof(H34B)=Sof(H34C)=1-FVAR(3)
 Sof(H1AA)=Sof(C5AA)=Sof(H5AA)=Sof(H5AB)=Sof(H5AC)=Sof(C8AA)=Sof(H8AA)=
 Sof(H8AB)=Sof(H8AC)=FVAR(3)
 Sof(F41)=Sof(F42)=Sof(F43)=Sof(F44)=Sof(F45)=Sof(O17)=Sof(O18)=Sof(C25)=
 Sof(C26)=Sof(C27)=1-FVAR(4)
 Sof(F36)=Sof(F37)=Sof(F38)=Sof(F39)=Sof(F40)=Sof(O15)=Sof(O16)=Sof(C22)=
 Sof(C23)=Sof(C24)=FVAR(4)
 Sof(F31)=Sof(F32)=Sof(F33)=Sof(F34)=Sof(F35)=Sof(O13)=Sof(O14)=Sof(C19)=
 Sof(C20)=Sof(C21)=1-FVAR(5)
 Sof(F26)=Sof(F27)=Sof(F28)=Sof(F29)=Sof(F30)=Sof(O11)=Sof(O12)=Sof(C16)=
 Sof(C17)=Sof(C18)=FVAR(5)
 Fixed Sof: Ag11(0.35) Ag12(0.35) Ag13(0.35) Ag14(0.15) Ag15(0.2) Ag16(0.1)
 Ag17(0.2) Ag18(0.2) Ag19(0.1) F21(0.5) F22(0.5) F23(0.5) F24(0.5) F25(0.5)
 O9(0.5) O10(0.5) C13(0.5) C14(0.5) C15(0.5) F1(0.75) F3(0.75) F2(0.75)
 F4(0.75) F5(0.75) F6(0.75) F7(0.75) F8(0.75) F9(0.75) F10(0.75) O3(0.75)
 O4(0.75) C4(0.75) C5(0.75) C6(0.75) O0AA(0.5) O1(0.75) O2(0.75) O3AA(0.5)
 O4AA(0.5) O23(0.5) N2(0.5) N8(0.5) N10(0.5) N38(0.5) C0AA(0.5) H0AA(0.5)
 H0AB(0.5) H0AC(0.5) C1(0.75) C1AA(0.5) C1BA(0.5) H1BA(0.5) H1BB(0.5) H1BC(0.5)
 C2(0.75) C2AA(0.5) H2AA(0.5) C3(0.75) C3AA(0.5) H3AA(0.5) H3AB(0.5) H3AC(0.5)
 C4AA(0.5) H4AA(0.5) C7AA(0.5) H7AA(0.5) C29(0.5) H29A(0.5) H29B(0.5) H29C(0.5)
 C31(0.5) H31(0.5) C39(0.5) H39A(0.5) H39B(0.5) H39C(0.5) C44(0.5) H44A(0.5)
 H44B(0.5) H44C(0.5) C50(0.5) H50(0.5) C53(0.5) H53A(0.5) H53B(0.5) H53C(0.5)
 C54(0.5) H54(0.5) C55(0.5) H55A(0.5) H55B(0.5) H55C(0.5) C66(0.5) H66A(0.5)
 H66B(0.5) H66C(0.5) C69(0.5) H69A(0.5) H69B(0.5) H69C(0.5) C79(0.5) H79A(0.5)
 H79B(0.5) H79C(0.5) C92(0.5) H92A(0.5) H92B(0.5) H92C(0.5) N33(0.5) C35(0.5)
 H35(0.5) O43(0.5) C56(0.5) H56A(0.5) H56B(0.5) H56C(0.5) C116(0.5) H11A(0.5)
 H11B(0.5) H11C(0.5)
8.a Riding coordinates:
 C1BA(H1BA,H1BB,H1BC), C29(H29A,H29B,H29C), C66(H66A,H66B,H66C), C56(H56A,H56B,
 H56C), C116(H11A,H11B,H11C)
8.b Ternary CH refined with riding coordinates:
 C1AA(H1AA), C1AA(H1AB), C2AA(H2AA), C48(H48), C50(H50), C100(H100)
8.c Aromatic/amide H refined with riding coordinates:
 C4AA(H4AA), C7AA(H7AA), C31(H31), C54(H54), C35(H35)
8.d Idealised Me refined as rotating group:
 C0AA(H0AA,H0AB,H0AC), C3AA(H3AA,H3AB,H3AC), C5AA(H5AA,H5AB,H5AC), C6AA(H6AA,
 H6AB,H6AC), C8AA(H8AA,H8AB,H8AC), C9AA(H9AA,H9AB,H9AC), C34(H34A,H34B,H34C),
 C39(H39A,H39B,H39C), C44(H44A,H44B,H44C), C53(H53A,H53B,H53C), C55(H55A,H55B,
 H55C), C63(H63A,H63B,H63C), C69(H69A,H69B,H69C), C77(H77A,H77B,H77C), C79(H79A,
 H79B,H79C), C80(H80A,H80B,H80C), C92(H92A,H92B,H92C)
;
_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 0.90664(7) 0.37687(6) 0.37463(5) 0.0581(3) Uani 1 1 d . . . . .
Ag2 Ag 0.76567(10) 0.18629(7) 0.17289(6) 0.0767(4) Uani 1 1 d . U . . .
Ag3 Ag 0.88415(10) 0.19876(7) 0.33648(7) 0.0744(3) Uani 1 1 d . U . . .
Ag4 Ag 0.78283(10) 0.36017(7) 0.20869(6) 0.0729(3) Uani 1 1 d . U . . .
Ag5 Ag 0.70795(9) 0.24929(7) 0.29186(7) 0.0746(3) Uani 1 1 d . U . . .
Ag6 Ag 0.95907(10) 0.30887(8) 0.25232(7) 0.0751(3) Uani 1 1 d . U . . .
Ag7 Ag 0.82838(11) 0.25432(10) 0.47393(9) 0.0901(4) Uani 1 1 d D U . . .
Ag8 Ag 0.70667(11) 0.43644(10) 0.32299(10) 0.0903(4) Uani 1 1 d D U . . .
Ag9 Ag 0.98909(12) 0.50236(10) 0.27254(10) 0.0933(4) Uani 1 1 d . U . . .
Ag10 Ag 1.11054(11) 0.32029(11) 0.42552(9) 0.0953(4) Uani 1 1 d . U . . .
Ag11 Ag 1.0661(10) 0.4019(4) 0.5796(4) 0.0916(17) Uani 0.35 1 d . U . A 1
Ag12 Ag 0.8543(5) 0.4643(5) 0.5232(4) 0.089(2) Uani 0.35 1 d . U . A 1
Ag13 Ag 1.0527(11) 0.3703(8) 0.6018(7) 0.128(3) Uani 0.35 1 d . U . A 2
Ag14 Ag 0.8461(6) 0.5466(5) 0.4650(5) 0.0746(19) Uani 0.15 1 d . U . A 3
Ag15 Ag 0.8352(9) 0.4307(6) 0.5586(6) 0.093(3) Uani 0.2 1 d . U . A 2
Ag16 Ag 0.9319(11) 0.4067(8) 0.5807(7) 0.080(3) Uani 0.1 1 d . U . A 3
Ag17 Ag 1.1008(10) 0.3806(12) 0.5964(8) 0.087(3) Uani 0.2 1 d . U . A 4
Ag18 Ag 0.8195(10) 0.4589(8) 0.5322(6) 0.069(2) Uani 0.2 1 d . U . A 4
Ag19 Ag 0.7967(13) 0.4916(12) 0.5099(11) 0.087(4) Uani 0.1 1 d . U . A 5
S1 S 1.0028(3) 0.2494(2) 0.4914(2) 0.0691(9) Uani 1 1 d D . . . .
S2 S 0.8266(3) 0.5213(2) 0.2722(2) 0.0710(9) Uani 1 1 d . U . . .
S3 S 1.1214(3) 0.4345(3) 0.3450(2) 0.0719(9) Uani 1 1 d D U . . .
S4 S 1.000000 0.500000 0.500000 0.0846(16) Uani 1 2 d S T P A .
S5 S 0.7083(3) 0.3390(3) 0.4201(2) 0.0754(10) Uani 1 1 d D . . . .
F21 F 0.368(3) 0.204(2) 0.053(2) 0.196(12) Uani 0.5 1 d D U . A 1
F22 F 0.323(3) 0.236(3) 0.154(2) 0.201(12) Uani 0.5 1 d D U . A 1
F23 F 0.341(3) 0.391(2) 0.145(2) 0.203(13) Uani 0.5 1 d D U . A 1
F24 F 0.406(3) 0.378(2) 0.048(2) 0.194(12) Uani 0.5 1 d D U . A 1
F25 F 0.2450(19) 0.287(2) 0.0206(18) 0.189(10) Uani 0.5 1 d D U . A 1
O9 O 0.531(3) 0.3748(19) 0.223(2) 0.149(11) Uani 0.5 1 d D U . A 1
O10 O 0.544(2) 0.247(2) 0.191(3) 0.169(12) Uani 0.5 1 d D U . A 1
C13 C 0.5008(19) 0.3013(18) 0.1841(17) 0.164(10) Uani 0.5 1 d D U . A 1
C14 C 0.3906(19) 0.2694(17) 0.1210(17) 0.165(9) Uani 0.5 1 d D U . A 1
C15 C 0.344(2) 0.3317(17) 0.0807(16) 0.167(9) Uani 0.5 1 d D U . A 1
F1 F 0.6976(13) -0.1293(13) 0.1294(11) 0.161(4) Uani 0.75 1 d D U . . .
F3 F 0.9649(11) -0.0496(12) 0.2549(10) 0.162(4) Uani 0.75 1 d D U . B .
F2 F 0.7883(15) -0.1190(13) 0.2617(11) 0.158(4) Uani 0.75 1 d D U . . .
F4 F 0.8536(16) -0.1798(10) 0.1575(13) 0.166(4) Uani 0.75 1 d D U . B .
F5 F 0.8724(16) -0.0495(12) 0.1166(10) 0.164(4) Uani 0.75 1 d D U . B .
F6 F 0.6323(16) 0.2408(14) -0.1063(13) 0.159(4) Uani 0.75 1 d D U . . .
F7 F 0.4993(16) 0.1631(12) -0.0947(13) 0.160(4) Uani 0.75 1 d D U . . .
F8 F 0.4647(16) 0.3030(15) -0.0374(13) 0.166(4) Uani 0.75 1 d D U . B .
F9 F 0.4592(17) 0.2831(14) -0.1677(11) 0.168(4) Uani 0.75 1 d D U . B .
F10 F 0.5976(16) 0.3880(12) -0.0663(13) 0.160(4) Uani 0.75 1 d D U . B .
O3 O 0.6261(17) 0.1871(12) 0.0540(12) 0.124(3) Uani 0.75 1 d D U . B .
O4 O 0.6938(18) 0.3298(12) 0.0711(13) 0.133(3) Uani 0.75 1 d D U . B .
C4 C 0.641(2) 0.2554(13) 0.0339(11) 0.145(4) Uani 0.75 1 d D U . . .
C5 C 0.5791(16) 0.2436(13) -0.0571(11) 0.150(4) Uani 0.75 1 d D U . B .
C6 C 0.5265(16) 0.3073(13) -0.0825(13) 0.154(4) Uani 0.75 1 d D U . . .
F11 F 0.8643(16) 0.1235(16) -0.0551(13) 0.123(3) Uani 0.508(10) 1 d D U . B 1
F12 F 0.986(2) 0.2561(14) -0.0079(16) 0.122(3) Uani 0.508(10) 1 d D U . B 1
F13 F 0.960(2) 0.0551(13) 0.0354(17) 0.124(3) Uani 0.508(10) 1 d D U . B 1
F14 F 1.056(2) 0.1247(16) -0.0283(14) 0.125(3) Uani 0.508(10) 1 d D U . B 1
F15 F 1.1065(17) 0.1849(17) 0.1051(13) 0.124(3) Uani 0.508(10) 1 d D U . B 1
O5 O 0.8263(19) 0.171(2) 0.0673(18) 0.114(3) Uani 0.508(10) 1 d D U . B 1
O6 O 0.973(2) 0.2706(18) 0.1343(16) 0.112(3) Uani 0.508(10) 1 d D U . B 1
C7 C 0.916(2) 0.2031(19) 0.0857(16) 0.118(3) Uani 0.508(10) 1 d D U . B 1
C8 C 0.9441(16) 0.1838(14) 0.0157(13) 0.120(3) Uani 0.508(10) 1 d D U . B 1
C9 C 1.0221(16) 0.1371(14) 0.0326(14) 0.122(3) Uani 0.508(10) 1 d D U . B 1
F16 F 0.893(2) 0.0500(14) -0.0071(16) 0.122(3) Uani 0.492(10) 1 d D U . B 2
F17 F 1.0584(17) 0.1237(18) 0.0810(15) 0.123(3) Uani 0.492(10) 1 d D U . B 2
F18 F 0.8669(16) 0.1844(18) -0.0593(15) 0.124(3) Uani 0.492(10) 1 d D U . B 2
F19 F 1.0490(19) 0.2587(14) 0.0215(16) 0.123(3) Uani 0.492(10) 1 d D U . B 2
F20 F 0.994(2) 0.1284(16) -0.0725(16) 0.125(3) Uani 0.492(10) 1 d D U . B 2
O7 O 0.844(2) 0.141(2) 0.0922(19) 0.113(3) Uani 0.492(10) 1 d D U . B 2
O8 O 0.992(2) 0.2375(19) 0.1520(17) 0.115(3) Uani 0.492(10) 1 d D U . B 2
C10 C 0.924(2) 0.1819(19) 0.0951(18) 0.119(3) Uani 0.492(10) 1 d D U . B 2
C11 C 0.9602(17) 0.1323(14) 0.0426(13) 0.120(3) Uani 0.492(10) 1 d D U . B 2
C12 C 0.9697(17) 0.1785(14) -0.0210(14) 0.123(3) Uani 0.492(10) 1 d D U . B 2
F26 F 0.901(2) 0.2935(17) 0.7976(15) 0.153(3) Uani 0.545(10) 1 d D U . A 1
F27 F 0.900(2) 0.1646(17) 0.7370(19) 0.152(3) Uani 0.545(10) 1 d D U . A 1
F28 F 0.693(2) 0.2457(18) 0.6911(19) 0.151(3) Uani 0.545(10) 1 d D U . A 1
F29 F 0.758(2) 0.178(2) 0.7965(15) 0.154(3) Uani 0.545(10) 1 d D U . A 1
F30 F 0.710(2) 0.1078(15) 0.6636(17) 0.154(3) Uani 0.545(10) 1 d D U . A 1
O11 O 0.801(3) 0.212(2) 0.5821(16) 0.145(3) Uani 0.545(10) 1 d D U . A 1
O12 O 0.891(3) 0.3387(18) 0.661(2) 0.149(4) Uani 0.545(10) 1 d D U . A 1
C16 C 0.853(3) 0.2622(18) 0.6480(15) 0.150(3) Uani 0.545(10) 1 d D U . A 1
C17 C 0.8534(18) 0.2305(16) 0.7222(15) 0.150(3) Uani 0.545(10) 1 d D U . A 1
C18 C 0.7517(18) 0.1885(16) 0.7190(15) 0.151(3) Uani 0.545(10) 1 d D U . A 1
F31 F 0.824(3) 0.1449(18) 0.6509(19) 0.153(3) Uani 0.455(10) 1 d D U . A 2
F32 F 0.908(2) 0.214(2) 0.7853(17) 0.153(3) Uani 0.455(10) 1 d D U . A 2
F33 F 0.744(3) 0.2725(18) 0.762(2) 0.152(3) Uani 0.455(10) 1 d D U . A 2
F34 F 0.732(3) 0.1241(19) 0.747(2) 0.152(3) Uani 0.455(10) 1 d D U . A 2
F35 F 0.662(2) 0.176(2) 0.6325(16) 0.154(3) Uani 0.455(10) 1 d D U . A 2
O13 O 0.868(4) 0.299(2) 0.620(2) 0.142(3) Uani 0.455(10) 1 d D U . A 2
O14 O 0.918(3) 0.368(2) 0.746(2) 0.148(4) Uani 0.455(10) 1 d D U . A 2
C19 C 0.872(4) 0.3062(17) 0.688(2) 0.149(3) Uani 0.455(10) 1 d D U . A 2
C20 C 0.840(2) 0.2203(16) 0.7080(17) 0.151(3) Uani 0.455(10) 1 d D U . A 2
C21 C 0.740(2) 0.1955(17) 0.7116(16) 0.151(3) Uani 0.455(10) 1 d D U . A 2
F36 F 1.4814(16) 0.4563(13) 0.6925(12) 0.149(3) Uani 0.708(10) 1 d D U . A 1
F37 F 1.4979(16) 0.4131(15) 0.5776(13) 0.144(3) Uani 0.708(10) 1 d D U . A 1
F38 F 1.3952(16) 0.2967(15) 0.6922(14) 0.148(3) Uani 0.708(10) 1 d D U . A 1
F39 F 1.5615(14) 0.3392(15) 0.7102(13) 0.150(3) Uani 0.708(10) 1 d D U . A 1
F40 F 1.4394(17) 0.2557(13) 0.5819(13) 0.147(3) Uani 0.708(10) 1 d D U . A 1
O15 O 1.2823(18) 0.3252(16) 0.5016(14) 0.135(3) Uani 0.708(10) 1 d D U . A 1
O16 O 1.291(2) 0.4312(18) 0.5902(16) 0.142(3) Uani 0.708(10) 1 d D U . A 1
C22 C 1.3224(16) 0.377(2) 0.5673(16) 0.143(3) Uani 0.708(10) 1 d D U . A 1
C23 C 1.4350(15) 0.3912(14) 0.6176(12) 0.144(3) Uani 0.708(10) 1 d D U . A 1
C24 C 1.4597(17) 0.3176(14) 0.6508(13) 0.146(3) Uani 0.708(10) 1 d D U . A 1
F41 F 1.512(3) 0.440(3) 0.624(3) 0.145(3) Uani 0.292(10) 1 d D U . A 2
F42 F 1.507(3) 0.401(3) 0.737(2) 0.147(3) Uani 0.292(10) 1 d D U . A 2
F43 F 1.368(3) 0.252(3) 0.648(3) 0.146(3) Uani 0.292(10) 1 d D U . A 2
F44 F 1.530(3) 0.287(3) 0.651(3) 0.145(3) Uani 0.292(10) 1 d D U . A 2
F45 F 1.393(4) 0.295(3) 0.535(2) 0.145(3) Uani 0.292(10) 1 d D U . A 2
O17 O 1.294(4) 0.403(5) 0.561(3) 0.141(3) Uani 0.292(10) 1 d D U . A 2
O18 O 1.329(4) 0.436(2) 0.690(3) 0.145(4) Uani 0.292(10) 1 d D U . A 2
C25 C 1.346(3) 0.413(2) 0.633(3) 0.144(3) Uani 0.292(10) 1 d D U . A 2
C26 C 1.446(2) 0.394(2) 0.654(2) 0.145(3) Uani 0.292(10) 1 d D U . A 2
C27 C 1.435(3) 0.303(2) 0.619(2) 0.145(3) Uani 0.292(10) 1 d D U . A 2
O0AA O 0.562(2) 0.1337(17) 0.2398(16) 0.101(4) Uani 0.5 1 d D U . A .
O1 O 0.8480(18) 0.0583(13) 0.2903(12) 0.131(3) Uani 0.75 1 d D U . B .
O2 O 0.7226(17) 0.0408(13) 0.1723(13) 0.127(4) Uani 0.75 1 d D U . B .
O3AA O 1.070(2) 0.198(2) 0.313(2) 0.121(5) Uani 0.5 1 d D U . A .
O4AA O 0.955(2) 0.505(2) 0.1305(19) 0.110(5) Uani 0.5 1 d D U . . .
O23 O 0.718(2) 0.1021(12) 0.440(2) 0.120(5) Uani 0.5 1 d D U . A .
N2 N 0.607(2) -0.0191(18) 0.3690(19) 0.124(5) Uani 0.5 1 d D U . A .
N8 N 0.881(2) 0.461(2) 0.003(2) 0.111(5) Uani 0.5 1 d D U . . .
N10 N 0.417(2) 0.0450(16) 0.1316(16) 0.110(5) Uani 0.5 1 d D U . A .
N38 N 1.138(2) 0.099(2) 0.2888(18) 0.131(6) Uani 0.5 1 d D U . A .
C0AA C 0.354(3) 0.043(3) 0.174(2) 0.112(5) Uani 0.5 1 d D U . . .
H0AA H 0.330166 0.091944 0.171758 0.168 Uiso 0.5 1 calc GR . . . .
H0AB H 0.393451 0.043746 0.230677 0.168 Uiso 0.5 1 calc GR . . . .
H0AC H 0.296183 -0.009669 0.149398 0.168 Uiso 0.5 1 calc GR . . . .
C1 C 0.788(2) 0.0192(14) 0.2210(14) 0.148(4) Uani 0.75 1 d D U . . .
C1AA C 1.0370(17) 0.1564(15) 0.5277(17) 0.075(6) Uani 0.5 1 d D U . A .
H1AA H 1.011767 0.107172 0.480579 0.089 Uiso 0.66(4) 1 calc R . . C 1
H1AB H 1.080601 0.183190 0.586171 0.089 Uiso 0.34(4) 1 calc R . . C 2
C1BA C 1.237(3) 0.145(3) 0.351(3) 0.132(6) Uani 0.5 1 d D U . . .
H1BA H 1.297410 0.163671 0.342701 0.198 Uiso 0.5 1 d R . . . .
H1BB H 1.243780 0.104321 0.384801 0.198 Uiso 0.5 1 d R . . . .
H1BC H 1.226670 0.194111 0.377311 0.198 Uiso 0.5 1 d R . . . .
C2 C 0.7829(12) -0.0748(11) 0.1999(10) 0.150(4) Uani 0.75 1 d D U . B .
C2AA C 0.768(2) 0.5773(19) 0.1936(19) 0.080(5) Uani 0.5 1 d D U . . .
H2AA H 0.753776 0.616307 0.229771 0.096 Uiso 0.5 1 calc R . . . .
C3 C 0.8684(12) -0.0886(9) 0.1822(9) 0.157(4) Uani 0.75 1 d D U . . .
C3AA C 0.556(4) -0.081(3) 0.291(2) 0.126(6) Uani 0.5 1 d D U . . .
H3AA H 0.510894 -0.131475 0.293546 0.190 Uiso 0.5 1 calc GR . . . .
H3AB H 0.606657 -0.096082 0.276465 0.190 Uiso 0.5 1 calc GR . . . .
H3AC H 0.517837 -0.055112 0.249942 0.190 Uiso 0.5 1 calc GR . . . .
C4AA C 0.680(3) 0.056(2) 0.372(2) 0.124(6) Uani 0.5 1 d D U . . .
H4AA H 0.696256 0.068093 0.329025 0.149 Uiso 0.5 1 calc R . . A .
C5AA C 0.992(3) 0.130(3) 0.587(3) 0.119(11) Uani 0.66(4) 1 d D U . A 1
H5AA H 1.020419 0.176794 0.634464 0.179 Uiso 0.66(4) 1 calc GR . . C 1
H5AB H 1.008344 0.079733 0.602215 0.179 Uiso 0.66(4) 1 calc GR . . C 1
H5AC H 0.918703 0.116622 0.559958 0.179 Uiso 0.66(4) 1 calc GR . . C 1
C6AA C 1.231(4) 0.517(3) 0.270(4) 0.098(13) Uani 0.40(4) 1 d D U . D 2
H6AA H 1.194685 0.552021 0.285196 0.147 Uiso 0.40(4) 1 calc GR . . D 2
H6AB H 1.215356 0.511227 0.213369 0.147 Uiso 0.40(4) 1 calc GR . . D 2
H6AC H 1.303570 0.544424 0.302925 0.147 Uiso 0.40(4) 1 calc GR . . D 2
C7AA C 0.519(2) 0.0933(19) 0.1695(18) 0.108(5) Uani 0.5 1 d D U . . .
H7AA H 0.556435 0.094942 0.138980 0.129 Uiso 0.5 1 calc R . . A .
C8AA C 1.1538(18) 0.182(3) 0.574(3) 0.129(12) Uani 0.66(4) 1 d D U . A 1
H8AA H 1.184551 0.205035 0.540147 0.193 Uiso 0.66(4) 1 calc GR . . C 1
H8AB H 1.172701 0.131530 0.586378 0.193 Uiso 0.66(4) 1 calc GR . . C 1
H8AC H 1.177619 0.224804 0.623729 0.193 Uiso 0.66(4) 1 calc GR . . C 1
C9AA C 0.945(3) 0.093(3) 0.531(5) 0.094(14) Uani 0.34(4) 1 d D U . A 2
H9AA H 0.916484 0.124667 0.558792 0.141 Uiso 0.34(4) 1 calc GR . . C 2
H9AB H 0.967617 0.051589 0.560107 0.141 Uiso 0.34(4) 1 calc GR . . C 2
H9AC H 0.894379 0.063717 0.476236 0.141 Uiso 0.34(4) 1 calc GR . . C 2
C29 C 0.590(3) -0.022(3) 0.442(3) 0.126(6) Uani 0.5 1 d D U . . .
H29A H 0.543589 -0.078586 0.432857 0.189 Uiso 0.5 1 d R . . A .
H29B H 0.560149 0.021254 0.452577 0.189 Uiso 0.5 1 d R . . . .
H29C H 0.653899 -0.012956 0.487967 0.189 Uiso 0.5 1 d R . . . .
C31 C 0.916(3) 0.440(3) 0.077(3) 0.115(6) Uani 0.5 1 d D U . . .
H31 H 0.910417 0.383925 0.084252 0.138 Uiso 0.5 1 calc R . . . .
C34 C 1.115(4) 0.135(4) 0.500(4) 0.108(17) Uani 0.34(4) 1 d D U . A 2
H34A H 1.081726 0.109451 0.442341 0.163 Uiso 0.34(4) 1 calc GR . . C 2
H34B H 1.141863 0.094677 0.528893 0.163 Uiso 0.34(4) 1 calc GR . . C 2
H34C H 1.169780 0.187073 0.512506 0.163 Uiso 0.34(4) 1 calc GR . . C 2
C39 C 0.851(2) 0.648(2) 0.188(2) 0.094(7) Uani 0.5 1 d D U . . .
H39A H 0.820254 0.683164 0.154123 0.141 Uiso 0.5 1 calc GR . . . .
H39B H 0.888787 0.622575 0.165392 0.141 Uiso 0.5 1 calc GR . . . .
H39C H 0.897385 0.684325 0.242329 0.141 Uiso 0.5 1 calc GR . . . .
C44 C 0.892(4) 0.550(2) -0.003(3) 0.117(6) Uani 0.5 1 d D U . . .
H44A H 0.921146 0.587753 0.050924 0.176 Uiso 0.5 1 calc GR . . . .
H44B H 0.825688 0.554984 -0.034998 0.176 Uiso 0.5 1 calc GR . . . .
H44C H 0.936135 0.567189 -0.028989 0.176 Uiso 0.5 1 calc GR . . . .
C48 C 1.2314(15) 0.4518(19) 0.3183(17) 0.090(8) Uani 0.60(4) 1 d D U . D 1
H48 H 1.292323 0.498303 0.359517 0.109 Uiso 0.60(4) 1 calc R . . D 1
C50 C 0.5821(18) 0.295(2) 0.421(2) 0.093(7) Uani 0.5 1 d D U . A .
H50 H 0.538239 0.248145 0.371402 0.111 Uiso 0.5 1 calc R . . . .
C53 C 0.836(3) 0.398(3) -0.075(2) 0.116(6) Uani 0.5 1 d D U . . .
H53A H 0.768481 0.363196 -0.086197 0.174 Uiso 0.5 1 calc GR . . . .
H53B H 0.878294 0.361638 -0.073116 0.174 Uiso 0.5 1 calc GR . . . .
H53C H 0.832780 0.428033 -0.117647 0.174 Uiso 0.5 1 calc GR . . . .
C54 C 1.053(3) 0.130(2) 0.272(2) 0.132(6) Uani 0.5 1 d D U . . .
H54 H 0.987717 0.098005 0.231130 0.158 Uiso 0.5 1 calc R . . A .
C55 C 0.367(3) -0.004(2) 0.0486(18) 0.113(6) Uani 0.5 1 d D U . . .
H55A H 0.321351 0.023105 0.015653 0.170 Uiso 0.5 1 calc GR . . A .
H55B H 0.328758 -0.061773 0.045358 0.170 Uiso 0.5 1 calc GR . . . .
H55C H 0.417661 -0.006510 0.028883 0.170 Uiso 0.5 1 calc GR . . . .
C63 C 1.255(4) 0.368(2) 0.301(3) 0.135(13) Uani 0.60(4) 1 d D U . D 1
H63A H 1.226264 0.326321 0.325399 0.203 Uiso 0.60(4) 1 calc GR . . D 1
H63B H 1.327971 0.379327 0.323586 0.203 Uiso 0.60(4) 1 calc GR . . D 1
H63C H 1.225338 0.344145 0.242682 0.203 Uiso 0.60(4) 1 calc GR . . D 1
C66 C 1.113(2) 0.017(2) 0.236(3) 0.136(7) Uani 0.5 1 d D U . . .
H66A H 1.177152 0.029900 0.232012 0.204 Uiso 0.5 1 d R . . A .
H66B H 1.057862 0.006570 0.183042 0.204 Uiso 0.5 1 d R . . . .
H66C H 1.103462 -0.034230 0.256862 0.204 Uiso 0.5 1 d DR . . . .
C69 C 0.534(3) 0.367(2) 0.418(3) 0.093(7) Uani 0.5 1 d D U . . .
H69A H 0.579689 0.416129 0.462356 0.139 Uiso 0.5 1 calc GR . . A .
H69B H 0.470079 0.346676 0.421432 0.139 Uiso 0.5 1 calc GR . . . .
H69C H 0.521324 0.383057 0.366611 0.139 Uiso 0.5 1 calc GR . . . .
C77 C 1.194(3) 0.472(3) 0.234(2) 0.119(11) Uani 0.60(4) 1 d D U . D 1
H77A H 1.230053 0.452250 0.205145 0.179 Uiso 0.60(4) 1 calc GR . . D 1
H77B H 1.207233 0.532968 0.240241 0.179 Uiso 0.60(4) 1 calc GR . . D 1
H77C H 1.121766 0.442008 0.203174 0.179 Uiso 0.60(4) 1 calc GR . . D 1
C79 C 0.656(2) 0.527(2) 0.138(2) 0.096(7) Uani 0.5 1 d D U . . .
H79A H 0.646315 0.466095 0.128355 0.144 Uiso 0.5 1 calc GR . . . .
H79B H 0.635596 0.543781 0.087093 0.144 Uiso 0.5 1 calc GR . . . .
H79C H 0.614198 0.539885 0.164416 0.144 Uiso 0.5 1 calc GR . . . .
C80 C 1.292(4) 0.409(4) 0.346(3) 0.099(13) Uani 0.40(4) 1 d D U . D 2
H80A H 1.351733 0.438277 0.339420 0.149 Uiso 0.40(4) 1 calc GR . . D 2
H80B H 1.280942 0.347528 0.334303 0.149 Uiso 0.40(4) 1 calc GR . . D 2
H80C H 1.302087 0.429102 0.400843 0.149 Uiso 0.40(4) 1 calc GR . . D 2
C92 C 0.595(3) 0.255(3) 0.495(2) 0.096(7) Uani 0.5 1 d D U . . .
H92A H 0.528426 0.220002 0.487684 0.143 Uiso 0.5 1 calc GR . . A .
H92B H 0.624600 0.300745 0.544126 0.143 Uiso 0.5 1 calc GR . . . .
H92C H 0.638276 0.219890 0.499465 0.143 Uiso 0.5 1 calc GR . . . .
C100 C 1.198(3) 0.427(3) 0.286(3) 0.093(10) Uani 0.40(4) 1 d D U . D 2
H100 H 1.159861 0.381697 0.234745 0.111 Uiso 0.40(4) 1 calc R . . D 2
N33 N 0.406(3) 0.318(2) 0.111(2) 0.149(7) Uani 0.5 1 d D U . A 2
C35 C 0.509(3) 0.324(3) 0.167(3) 0.149(8) Uani 0.5 1 d D U . A 2
H35 H 0.538415 0.280550 0.174825 0.179 Uiso 0.5 1 calc R . . A 2
O43 O 0.546(3) 0.399(2) 0.200(2) 0.138(6) Uani 0.5 1 d D U . A 2
C56 C 0.336(4) 0.233(2) 0.065(3) 0.153(8) Uani 0.5 1 d D U . A 2
H56A H 0.356047 0.208148 0.025252 0.229 Uiso 0.5 1 d R . . A 2
H56B H 0.268127 0.236178 0.036712 0.229 Uiso 0.5 1 d R . . A 2
H56C H 0.336227 0.196458 0.102232 0.229 Uiso 0.5 1 d R . . A 2
C116 C 0.364(4) 0.388(3) 0.100(4) 0.150(8) Uani 0.5 1 d D U . A 2
H11A H 0.392399 0.440186 0.142568 0.224 Uiso 0.5 1 d R . . A 2
H11B H 0.290939 0.372646 0.073538 0.224 Uiso 0.5 1 d R . . A 2
H11C H 0.390759 0.397816 0.059988 0.224 Uiso 0.5 1 d R . . A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag3 2.8218(14) . ?
Ag1 Ag4 2.8031(14) . ?
Ag1 Ag5 2.8544(15) . ?
Ag1 Ag6 2.8284(15) . ?
Ag1 Ag7 3.1738(17) . ?
Ag1 Ag8 3.1945(16) . ?
Ag1 Ag9 3.2712(17) . ?
Ag1 Ag10 3.2199(17) . ?
Ag1 Ag12 3.352(6) . ?
Ag1 S4 2.5016(9) . ?
Ag2 Ag3 2.7658(15) . ?
Ag2 Ag4 2.7701(15) . ?
Ag2 Ag5 2.8018(17) . ?
Ag2 Ag6 2.7671(17) . ?
Ag2 O3 2.36(2) . ?
Ag2 O5 2.44(3) . ?
Ag2 O7 2.36(3) . ?
Ag2 O2 2.31(2) . ?
Ag3 Ag5 2.7970(18) . ?
Ag3 Ag6 2.8096(18) . ?
Ag3 Ag7 3.0389(18) . ?
Ag3 Ag10 3.108(2) . ?
Ag3 S1 2.575(4) . ?
Ag3 O1 2.21(2) . ?
Ag4 Ag5 2.8031(18) . ?
Ag4 Ag6 2.8054(17) . ?
Ag4 Ag8 3.0154(18) . ?
Ag4 Ag9 3.0481(19) . ?
Ag4 S2 2.561(4) . ?
Ag4 O4 2.26(2) . ?
Ag5 Ag7 3.0812(18) . ?
Ag5 Ag8 3.0571(18) . ?
Ag5 S5 2.603(4) . ?
Ag5 O10 2.42(3) . ?
Ag5 O0AA 2.27(3) . ?
Ag6 Ag9 3.0478(19) . ?
Ag6 Ag10 3.0376(18) . ?
Ag6 S3 2.546(4) . ?
Ag6 O6 2.27(3) . ?
Ag6 O8 2.32(3) . ?
Ag7 Ag12 3.335(9) . ?
Ag7 Ag13 3.159(12) . ?
Ag7 Ag15 3.065(11) . ?
Ag7 Ag16 2.644(11) . ?
Ag7 S1 2.517(4) . ?
Ag7 S5 2.506(5) . ?
Ag7 O11 2.32(3) . ?
Ag7 O13 2.47(3) . ?
Ag7 O23 2.475(17) . ?
Ag8 Ag14 2.668(7) . ?
Ag8 Ag17 3.290(16) 2_766 ?
Ag8 Ag19 3.057(18) . ?
Ag8 S2 2.525(5) . ?
Ag8 S5 2.526(5) . ?
Ag8 O9 2.40(3) . ?
Ag8 O16 2.51(2) 2_766 ?
Ag8 O18 2.30(2) 2_766 ?
Ag8 O43 2.43(4) . ?
Ag9 Ag13 3.252(12) 2_766 ?
Ag9 Ag15 3.009(11) 2_766 ?
Ag9 Ag16 2.547(11) 2_766 ?
Ag9 S2 2.515(5) . ?
Ag9 S3 2.509(4) . ?
Ag9 O12 2.59(3) 2_766 ?
Ag9 O14 2.38(3) 2_766 ?
Ag9 O4AA 2.45(3) . ?
Ag10 Ag11 3.329(10) . ?
Ag10 Ag14 2.530(7) 2_766 ?
Ag10 Ag17 3.221(14) . ?
Ag10 Ag19 2.926(17) 2_766 ?
Ag10 S1 2.512(4) . ?
Ag10 S3 2.530(4) . ?
Ag10 O15 2.37(2) . ?
Ag10 O3AA 2.46(3) . ?
Ag11 Ag12 3.347(11) 2_766 ?
Ag11 Ag12 3.376(15) . ?
Ag11 S1 2.530(8) . ?
Ag11 S2 2.504(8) 2_766 ?
Ag11 S4 2.431(8) . ?
Ag12 S3 2.591(7) 2_766 ?
Ag12 S4 2.322(6) . ?
Ag12 S5 2.485(8) . ?
Ag13 S1 2.379(10) . ?
Ag13 S2 2.429(10) 2_766 ?
Ag14 S4 2.470(7) . ?
Ag15 S3 2.419(10) 2_766 ?
Ag15 S5 2.486(10) . ?
Ag16 S4 2.549(11) . ?
Ag17 S1 2.387(13) . ?
Ag17 S2 2.385(12) 2_766 ?
Ag18 S3 2.366(10) 2_766 ?
Ag18 S4 2.912(14) . ?
Ag18 S5 2.361(10) . ?
Ag19 S3 2.436(16) 2_766 ?
Ag19 S5 2.526(15) . ?
S1 C1AA 1.842(16) . ?
S2 C2AA 1.85(3) . ?
S3 C48 1.854(9) . ?
S3 C100 1.869(19) . ?
S5 C50 1.854(18) . ?
F21 C14 1.406(17) . ?
F22 C14 1.403(18) . ?
F23 C15 1.448(18) . ?
F24 C15 1.404(17) . ?
F25 C15 1.389(17) . ?
O9 C13 1.196(12) . ?
O10 C13 1.204(12) . ?
C13 C14 1.503(9) . ?
C14 C15 1.484(13) . ?
F1 C2 1.401(9) . ?
F3 C3 1.449(7) . ?
F2 C2 1.400(9) . ?
F4 C3 1.443(7) . ?
F5 C3 1.439(7) . ?
F6 C5 1.414(17) . ?
F7 C5 1.416(17) . ?
F8 C6 1.450(17) . ?
F9 C6 1.423(17) . ?
F10 C6 1.391(17) . ?
O3 C4 1.216(11) . ?
O4 C4 1.217(11) . ?
C4 C5 1.512(9) . ?
C5 C6 1.468(15) . ?
F11 C8 1.406(17) . ?
F12 C8 1.398(17) . ?
F13 C9 1.454(17) . ?
F14 C9 1.402(17) . ?
F15 C9 1.384(17) . ?
O5 C7 1.203(12) . ?
O6 C7 1.203(12) . ?
C7 C8 1.510(9) . ?
C8 C9 1.501(9) . ?
F16 C11 1.405(17) . ?
F17 C11 1.408(17) . ?
F18 C12 1.451(17) . ?
F19 C12 1.415(17) . ?
F20 C12 1.386(17) . ?
O7 C10 1.194(15) . ?
O8 C10 1.195(14) . ?
C10 C11 1.513(15) . ?
C11 C12 1.494(16) . ?
F26 C17 1.412(17) . ?
F27 C17 1.419(17) . ?
F28 C18 1.446(17) . ?
F29 C18 1.413(17) . ?
F30 C18 1.393(17) . ?
O11 C16 1.201(15) . ?
O12 C16 1.194(14) . ?
C16 C17 1.508(14) . ?
C17 C18 1.480(16) . ?
F31 C20 1.419(18) . ?
F32 C20 1.412(17) . ?
F33 C21 1.441(18) . ?
F34 C21 1.412(17) . ?
F35 C21 1.389(17) . ?
O13 C19 1.203(15) . ?
O14 C19 1.207(15) . ?
C19 C20 1.507(15) . ?
C20 C21 1.484(16) . ?
F36 C23 1.424(16) . ?
F37 C23 1.403(17) . ?
F38 C24 1.442(17) . ?
F39 C24 1.403(17) . ?
F40 C24 1.394(17) . ?
O15 C22 1.205(12) . ?
O16 C22 1.209(12) . ?
C22 C23 1.507(9) . ?
C23 C24 1.479(16) . ?
F41 C26 1.414(18) . ?
F42 C26 1.402(18) . ?
F43 C27 1.448(18) . ?
F44 C27 1.412(18) . ?
F45 C27 1.388(18) . ?
O17 C25 1.203(15) . ?
O18 C25 1.200(15) . ?
C25 C26 1.508(15) . ?
C26 C27 1.488(16) . ?
O0AA C7AA 1.198(19) . ?
O1 C1 1.205(12) . ?
O2 C1 1.201(12) . ?
O3AA C54 1.176(19) . ?
O4AA C31 1.20(2) . ?
O23 C4AA 1.20(2) . ?
N2 C3AA 1.43(2) . ?
N2 C4AA 1.41(2) . ?
N2 C29 1.46(2) . ?
N8 C31 1.36(5) . ?
N8 C44 1.46(2) . ?
N8 C53 1.45(2) . ?
N10 C0AA 1.431(18) . ?
N10 C7AA 1.370(18) . ?
N10 C55 1.423(18) . ?
N38 C1BA 1.399(18) . ?
N38 C54 1.422(19) . ?
N38 C66 1.425(19) . ?
C1 C2 1.517(14) . ?
C1AA C5AA 1.525(10) . ?
C1AA C8AA 1.529(10) . ?
C1AA C9AA 1.527(10) . ?
C1AA C34 1.525(10) . ?
C2 C3 1.491(9) . ?
C2AA C39 1.525(10) . ?
C2AA C79 1.518(10) . ?
C6AA C100 1.531(10) . ?
C48 C63 1.533(10) . ?
C48 C77 1.528(10) . ?
C50 C69 1.524(10) . ?
C50 C92 1.530(10) . ?
C80 C100 1.529(10) . ?
N33 C35 1.437(10) . ?
N33 C56 1.440(10) . ?
N33 C116 1.440(10) . ?
C35 O43 1.18(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag3 Ag1 Ag5 59.04(4) . . ?
Ag3 Ag1 Ag6 59.64(4) . . ?
Ag3 Ag1 Ag7 60.57(4) . . ?
Ag3 Ag1 Ag8 119.44(5) . . ?
Ag3 Ag1 Ag9 119.05(5) . . ?
Ag3 Ag1 Ag10 61.49(4) . . ?
Ag3 Ag1 Ag12 121.97(16) . . ?
Ag4 Ag1 Ag3 88.72(4) . . ?
Ag4 Ag1 Ag5 59.39(4) . . ?
Ag4 Ag1 Ag6 59.75(4) . . ?
Ag4 Ag1 Ag7 120.60(5) . . ?
Ag4 Ag1 Ag8 59.94(4) . . ?
Ag4 Ag1 Ag9 59.65(4) . . ?
Ag4 Ag1 Ag10 119.63(5) . . ?
Ag4 Ag1 Ag12 121.49(15) . . ?
Ag5 Ag1 Ag7 61.21(4) . . ?
Ag5 Ag1 Ag8 60.40(4) . . ?
Ag5 Ag1 Ag9 119.04(5) . . ?
Ag5 Ag1 Ag10 120.53(5) . . ?
Ag5 Ag1 Ag12 93.07(11) . . ?
Ag6 Ag1 Ag5 89.39(4) . . ?
Ag6 Ag1 Ag7 120.18(5) . . ?
Ag6 Ag1 Ag8 119.70(5) . . ?
Ag6 Ag1 Ag9 59.43(4) . . ?
Ag6 Ag1 Ag10 59.88(4) . . ?
Ag6 Ag1 Ag12 177.52(12) . . ?
Ag7 Ag1 Ag8 90.89(5) . . ?
Ag7 Ag1 Ag9 179.45(5) . . ?
Ag7 Ag1 Ag10 90.29(4) . . ?
Ag7 Ag1 Ag12 61.40(16) . . ?
Ag8 Ag1 Ag9 89.65(4) . . ?
Ag8 Ag1 Ag10 178.77(5) . . ?
Ag8 Ag1 Ag12 61.57(15) . . ?
Ag9 Ag1 Ag12 118.97(16) . . ?
Ag10 Ag1 Ag9 89.16(4) . . ?
Ag10 Ag1 Ag12 118.80(15) . . ?
S4 Ag1 Ag3 136.52(4) . . ?
S4 Ag1 Ag4 134.73(4) . . ?
S4 Ag1 Ag5 136.88(5) . . ?
S4 Ag1 Ag6 133.72(5) . . ?
S4 Ag1 Ag7 90.75(4) . . ?
S4 Ag1 Ag8 90.56(4) . . ?
S4 Ag1 Ag9 89.33(4) . . ?
S4 Ag1 Ag10 89.10(4) . . ?
S4 Ag1 Ag12 43.81(11) . . ?
Ag3 Ag2 Ag4 90.54(4) . . ?
Ag3 Ag2 Ag5 60.31(4) . . ?
Ag3 Ag2 Ag6 61.03(4) . . ?
Ag4 Ag2 Ag5 60.40(4) . . ?
Ag6 Ag2 Ag4 60.88(4) . . ?
Ag6 Ag2 Ag5 91.74(4) . . ?
O3 Ag2 Ag3 159.4(6) . . ?
O3 Ag2 Ag4 80.8(5) . . ?
O3 Ag2 Ag5 99.3(6) . . ?
O3 Ag2 Ag6 127.5(5) . . ?
O3 Ag2 O5 76.8(9) . . ?
O3 Ag2 O7 90.3(10) . . ?
O5 Ag2 Ag3 123.6(7) . . ?
O5 Ag2 Ag4 104.5(8) . . ?
O5 Ag2 Ag5 164.9(8) . . ?
O5 Ag2 Ag6 79.6(6) . . ?
O7 Ag2 Ag3 110.2(8) . . ?
O7 Ag2 Ag4 118.3(8) . . ?
O7 Ag2 Ag5 169.7(7) . . ?
O7 Ag2 Ag6 79.5(6) . . ?
O2 Ag2 Ag3 80.6(5) . . ?
O2 Ag2 Ag4 160.0(6) . . ?
O2 Ag2 Ag5 99.7(6) . . ?
O2 Ag2 Ag6 127.1(5) . . ?
O2 Ag2 O3 101.4(7) . . ?
O2 Ag2 O5 95.4(10) . . ?
O2 Ag2 O7 81.7(10) . . ?
Ag1 Ag3 Ag7 65.45(4) . . ?
Ag1 Ag3 Ag10 65.58(4) . . ?
Ag2 Ag3 Ag1 90.21(4) . . ?
Ag2 Ag3 Ag5 60.48(4) . . ?
Ag2 Ag3 Ag6 59.50(4) . . ?
Ag2 Ag3 Ag7 123.95(6) . . ?
Ag2 Ag3 Ag10 120.71(6) . . ?
Ag5 Ag3 Ag1 61.06(4) . . ?
Ag5 Ag3 Ag6 90.95(5) . . ?
Ag5 Ag3 Ag7 63.58(4) . . ?
Ag5 Ag3 Ag10 126.64(5) . . ?
Ag6 Ag3 Ag1 60.30(4) . . ?
Ag6 Ag3 Ag7 125.72(5) . . ?
Ag6 Ag3 Ag10 61.53(4) . . ?
Ag7 Ag3 Ag10 95.02(5) . . ?
S1 Ag3 Ag1 76.32(9) . . ?
S1 Ag3 Ag2 166.31(10) . . ?
S1 Ag3 Ag5 113.30(10) . . ?
S1 Ag3 Ag6 110.35(10) . . ?
S1 Ag3 Ag7 52.49(10) . . ?
S1 Ag3 Ag10 51.42(10) . . ?
O1 Ag3 Ag1 171.9(5) . . ?
O1 Ag3 Ag2 82.0(5) . . ?
O1 Ag3 Ag5 112.4(6) . . ?
O1 Ag3 Ag6 116.9(7) . . ?
O1 Ag3 Ag7 117.1(7) . . ?
O1 Ag3 Ag10 120.7(6) . . ?
O1 Ag3 S1 111.5(5) . . ?
Ag1 Ag4 Ag6 60.57(4) . . ?
Ag1 Ag4 Ag8 66.48(4) . . ?
Ag1 Ag4 Ag9 67.83(4) . . ?
Ag2 Ag4 Ag1 90.51(4) . . ?
Ag2 Ag4 Ag5 60.36(4) . . ?
Ag2 Ag4 Ag6 59.51(4) . . ?
Ag2 Ag4 Ag8 123.39(6) . . ?
Ag2 Ag4 Ag9 121.48(6) . . ?
Ag5 Ag4 Ag1 61.22(4) . . ?
Ag5 Ag4 Ag6 90.91(5) . . ?
Ag5 Ag4 Ag8 63.27(4) . . ?
Ag5 Ag4 Ag9 129.04(5) . . ?
Ag6 Ag4 Ag8 127.05(5) . . ?
Ag6 Ag4 Ag9 62.59(5) . . ?
Ag8 Ag4 Ag9 97.49(5) . . ?
S2 Ag4 Ag1 77.32(9) . . ?
S2 Ag4 Ag2 167.72(10) . . ?
S2 Ag4 Ag5 113.62(10) . . ?
S2 Ag4 Ag6 111.83(10) . . ?
S2 Ag4 Ag8 53.09(10) . . ?
S2 Ag4 Ag9 52.41(10) . . ?
O4 Ag4 Ag1 170.7(6) . . ?
O4 Ag4 Ag2 81.4(5) . . ?
O4 Ag4 Ag5 117.5(6) . . ?
O4 Ag4 Ag6 110.9(7) . . ?
O4 Ag4 Ag8 121.9(7) . . ?
O4 Ag4 Ag9 112.6(6) . . ?
O4 Ag4 S2 110.6(5) . . ?
Ag1 Ag5 Ag7 64.51(4) . . ?
Ag1 Ag5 Ag8 65.31(4) . . ?
Ag2 Ag5 Ag1 88.82(5) . . ?
Ag2 Ag5 Ag4 59.24(4) . . ?
Ag2 Ag5 Ag7 121.14(5) . . ?
Ag2 Ag5 Ag8 120.76(6) . . ?
Ag3 Ag5 Ag1 59.90(4) . . ?
Ag3 Ag5 Ag2 59.21(4) . . ?
Ag3 Ag5 Ag4 89.22(5) . . ?
Ag3 Ag5 Ag7 62.04(4) . . ?
Ag3 Ag5 Ag8 125.21(5) . . ?
Ag4 Ag5 Ag1 59.39(4) . . ?
Ag4 Ag5 Ag7 123.91(5) . . ?
Ag4 Ag5 Ag8 61.76(4) . . ?
Ag8 Ag5 Ag7 95.34(5) . . ?
S5 Ag5 Ag1 74.51(9) . . ?
S5 Ag5 Ag2 163.33(10) . . ?
S5 Ag5 Ag3 110.41(10) . . ?
S5 Ag5 Ag4 110.34(11) . . ?
S5 Ag5 Ag7 51.49(10) . . ?
S5 Ag5 Ag8 52.26(11) . . ?
O10 Ag5 Ag1 134.0(10) . . ?
O10 Ag5 Ag2 93.1(10) . . ?
O10 Ag5 Ag3 151.0(10) . . ?
O10 Ag5 Ag4 82.6(11) . . ?
O10 Ag5 Ag7 143.6(11) . . ?
O10 Ag5 Ag8 74.6(9) . . ?
O10 Ag5 S5 98.5(10) . . ?
O0AA Ag5 Ag1 170.2(7) . . ?
O0AA Ag5 Ag2 91.2(7) . . ?
O0AA Ag5 Ag3 112.0(7) . . ?
O0AA Ag5 Ag4 128.4(7) . . ?
O0AA Ag5 Ag7 107.4(7) . . ?
O0AA Ag5 Ag8 122.5(7) . . ?
O0AA Ag5 S5 105.2(7) . . ?
O0AA Ag5 O10 55.8(12) . . ?
Ag1 Ag6 Ag9 67.53(4) . . ?
Ag1 Ag6 Ag10 66.47(4) . . ?
Ag2 Ag6 Ag1 90.05(5) . . ?
Ag2 Ag6 Ag3 59.46(4) . . ?
Ag2 Ag6 Ag4 59.61(4) . . ?
Ag2 Ag6 Ag9 121.60(6) . . ?
Ag2 Ag6 Ag10 123.19(6) . . ?
Ag3 Ag6 Ag1 60.06(4) . . ?
Ag3 Ag6 Ag9 127.58(5) . . ?
Ag3 Ag6 Ag10 64.07(4) . . ?
Ag4 Ag6 Ag1 59.67(4) . . ?
Ag4 Ag6 Ag3 88.92(5) . . ?
Ag4 Ag6 Ag9 62.60(4) . . ?
Ag4 Ag6 Ag10 126.14(5) . . ?
Ag10 Ag6 Ag9 96.96(5) . . ?
S3 Ag6 Ag1 77.75(9) . . ?
S3 Ag6 Ag2 167.72(10) . . ?
S3 Ag6 Ag3 114.05(10) . . ?
S3 Ag6 Ag4 111.77(10) . . ?
S3 Ag6 Ag9 52.36(10) . . ?
S3 Ag6 Ag10 53.00(10) . . ?
O6 Ag6 Ag1 165.4(9) . . ?
O6 Ag6 Ag2 85.6(7) . . ?
O6 Ag6 Ag3 127.8(7) . . ?
O6 Ag6 Ag4 106.3(8) . . ?
O6 Ag6 Ag9 103.1(8) . . ?
O6 Ag6 Ag10 127.3(8) . . ?
O6 Ag6 S3 105.9(7) . . ?
O8 Ag6 Ag1 173.5(8) . . ?
O8 Ag6 Ag2 84.9(7) . . ?
O8 Ag6 Ag3 113.6(9) . . ?
O8 Ag6 Ag4 120.4(8) . . ?
O8 Ag6 Ag9 118.7(9) . . ?
O8 Ag6 Ag10 113.1(8) . . ?
O8 Ag6 S3 107.4(7) . . ?
Ag1 Ag7 Ag12 61.93(12) . . ?
Ag3 Ag7 Ag1 53.97(4) . . ?
Ag3 Ag7 Ag5 54.38(4) . . ?
Ag3 Ag7 Ag12 115.90(12) . . ?
Ag3 Ag7 Ag13 96.5(2) . . ?
Ag3 Ag7 Ag15 132.7(2) . . ?
Ag5 Ag7 Ag1 54.28(4) . . ?
Ag5 Ag7 Ag12 89.42(14) . . ?
Ag5 Ag7 Ag13 130.1(2) . . ?
Ag13 Ag7 Ag1 75.8(2) . . ?
Ag15 Ag7 Ag1 78.8(2) . . ?
Ag15 Ag7 Ag5 101.4(2) . . ?
Ag15 Ag7 Ag13 67.3(4) . . ?
Ag16 Ag7 Ag1 75.5(2) . . ?
Ag16 Ag7 Ag3 121.3(3) . . ?
Ag16 Ag7 Ag5 118.8(3) . . ?
S1 Ag7 Ag1 70.80(9) . . ?
S1 Ag7 Ag3 54.24(9) . . ?
S1 Ag7 Ag5 106.18(10) . . ?
S1 Ag7 Ag12 105.53(14) . . ?
S1 Ag7 Ag13 47.9(3) . . ?
S1 Ag7 Ag15 112.7(2) . . ?
S1 Ag7 Ag16 84.5(3) . . ?
S5 Ag7 Ag1 70.15(10) . . ?
S5 Ag7 Ag3 105.85(10) . . ?
S5 Ag7 Ag5 54.36(10) . . ?
S5 Ag7 Ag12 47.80(16) . . ?
S5 Ag7 Ag13 114.0(3) . . ?
S5 Ag7 Ag15 51.8(3) . . ?
S5 Ag7 Ag16 78.9(3) . . ?
S5 Ag7 S1 140.25(14) . . ?
O11 Ag7 Ag1 159.2(7) . . ?
O11 Ag7 Ag3 143.1(9) . . ?
O11 Ag7 Ag5 140.3(8) . . ?
O11 Ag7 Ag12 99.5(8) . . ?
O11 Ag7 S1 108.3(9) . . ?
O11 Ag7 S5 105.4(10) . . ?
O11 Ag7 O23 65.8(11) . . ?
O13 Ag7 Ag1 124.6(8) . . ?
O13 Ag7 Ag3 152.4(12) . . ?
O13 Ag7 Ag5 151.8(11) . . ?
O13 Ag7 Ag13 60.0(11) . . ?
O13 Ag7 Ag15 55.2(10) . . ?
O13 Ag7 S1 98.2(12) . . ?
O13 Ag7 S5 97.7(11) . . ?
O13 Ag7 O23 100.4(11) . . ?
O23 Ag7 Ag1 135.0(8) . . ?
O23 Ag7 Ag3 87.1(8) . . ?
O23 Ag7 Ag5 86.1(8) . . ?
O23 Ag7 Ag12 147.5(7) . . ?
O23 Ag7 Ag13 137.0(8) . . ?
O23 Ag7 Ag15 135.6(8) . . ?
O23 Ag7 Ag16 149.3(8) . . ?
O23 Ag7 S1 106.6(7) . . ?
O23 Ag7 S5 106.0(7) . . ?
Ag1 Ag8 Ag17 75.7(3) . 2_766 ?
Ag4 Ag8 Ag1 53.57(3) . . ?
Ag4 Ag8 Ag5 54.98(4) . . ?
Ag4 Ag8 Ag17 94.9(2) . 2_766 ?
Ag4 Ag8 Ag19 132.4(3) . . ?
Ag5 Ag8 Ag1 54.28(4) . . ?
Ag5 Ag8 Ag17 129.9(3) . 2_766 ?
Ag14 Ag8 Ag1 73.66(16) . . ?
Ag14 Ag8 Ag4 117.86(19) . . ?
Ag14 Ag8 Ag5 118.35(16) . . ?
Ag19 Ag8 Ag1 79.0(3) . . ?
Ag19 Ag8 Ag5 102.7(4) . . ?
S2 Ag8 Ag1 70.76(9) . . ?
S2 Ag8 Ag4 54.19(9) . . ?
S2 Ag8 Ag5 106.74(10) . . ?
S2 Ag8 Ag14 81.1(2) . . ?
S2 Ag8 Ag17 46.2(3) . 2_766 ?
S2 Ag8 Ag19 110.6(4) . . ?
S2 Ag8 S5 139.32(14) . . ?
S5 Ag8 Ag1 69.58(10) . . ?
S5 Ag8 Ag4 106.14(11) . . ?
S5 Ag8 Ag5 54.58(10) . . ?
S5 Ag8 Ag14 79.6(2) . . ?
S5 Ag8 Ag17 113.9(3) . 2_766 ?
S5 Ag8 Ag19 52.8(4) . . ?
O9 Ag8 Ag1 135.4(9) . . ?
O9 Ag8 Ag4 92.1(10) . . ?
O9 Ag8 Ag5 83.7(8) . . ?
O9 Ag8 Ag17 141.9(9) . 2_766 ?
O9 Ag8 S2 114.7(10) . . ?
O9 Ag8 S5 99.8(10) . . ?
O9 Ag8 O16 104.1(11) . 2_766 ?
O16 Ag8 Ag1 120.0(6) 2_766 . ?
O16 Ag8 Ag4 148.3(7) 2_766 . ?
O16 Ag8 Ag5 152.4(7) 2_766 . ?
O16 Ag8 Ag17 55.9(7) 2_766 2_766 ?
O16 Ag8 S2 94.1(8) 2_766 . ?
O16 Ag8 S5 97.8(7) 2_766 . ?
O18 Ag8 Ag1 136.5(13) 2_766 . ?
O18 Ag8 Ag4 118.6(10) 2_766 . ?
O18 Ag8 Ag5 164.2(13) 2_766 . ?
O18 Ag8 S2 73.3(11) 2_766 . ?
O18 Ag8 S5 135.2(10) 2_766 . ?
O18 Ag8 O43 73.9(16) 2_766 . ?
O43 Ag8 Ag1 135.2(10) . . ?
O43 Ag8 Ag4 84.6(11) . . ?
O43 Ag8 Ag5 90.7(9) . . ?
O43 Ag8 S2 99.1(11) . . ?
O43 Ag8 S5 115.2(10) . . ?
Ag4 Ag9 Ag1 52.52(3) . . ?
Ag4 Ag9 Ag13 95.7(2) . 2_766 ?
Ag6 Ag9 Ag1 53.04(4) . . ?
Ag6 Ag9 Ag4 54.80(4) . . ?
Ag6 Ag9 Ag13 128.3(2) . 2_766 ?
Ag13 Ag9 Ag1 75.3(2) 2_766 . ?
Ag15 Ag9 Ag1 78.2(2) 2_766 . ?
Ag15 Ag9 Ag4 130.7(2) 2_766 . ?
Ag15 Ag9 Ag6 99.2(2) 2_766 . ?
Ag16 Ag9 Ag1 74.2(3) 2_766 . ?
Ag16 Ag9 Ag4 118.6(3) 2_766 . ?
Ag16 Ag9 Ag6 116.1(3) 2_766 . ?
S2 Ag9 Ag1 69.50(9) . . ?
S2 Ag9 Ag4 53.79(9) . . ?
S2 Ag9 Ag6 105.74(10) . . ?
S2 Ag9 Ag13 47.7(3) . 2_766 ?
S2 Ag9 Ag15 111.6(3) . 2_766 ?
S2 Ag9 Ag16 82.8(4) . 2_766 ?
S2 Ag9 O12 98.8(10) . 2_766 ?
S3 Ag9 Ag1 70.17(10) . . ?
S3 Ag9 Ag4 105.42(11) . . ?
S3 Ag9 Ag6 53.48(10) . . ?
S3 Ag9 Ag13 112.8(3) . 2_766 ?
S3 Ag9 Ag15 51.0(3) . 2_766 ?
S3 Ag9 Ag16 78.5(4) . 2_766 ?
S3 Ag9 S2 138.78(14) . . ?
S3 Ag9 O12 95.8(9) . 2_766 ?
O12 Ag9 Ag1 122.8(7) 2_766 . ?
O12 Ag9 Ag4 152.6(10) 2_766 . ?
O12 Ag9 Ag6 149.2(9) 2_766 . ?
O12 Ag9 Ag13 59.5(9) 2_766 2_766 ?
O12 Ag9 Ag15 53.8(8) 2_766 2_766 ?
O14 Ag9 Ag1 156.1(8) 2_766 . ?
O14 Ag9 Ag4 146.1(11) 2_766 . ?
O14 Ag9 Ag6 143.3(10) 2_766 . ?
O14 Ag9 S2 108.2(11) 2_766 . ?
O14 Ag9 S3 105.1(11) 2_766 . ?
O14 Ag9 O4AA 64.3(11) 2_766 . ?
O4AA Ag9 Ag1 139.3(7) . . ?
O4AA Ag9 Ag4 88.7(7) . . ?
O4AA Ag9 Ag6 96.9(7) . . ?
O4AA Ag9 Ag13 126.8(8) . 2_766 ?
O4AA Ag9 Ag15 139.4(7) . 2_766 ?
O4AA Ag9 Ag16 145.2(8) . 2_766 ?
O4AA Ag9 S2 99.3(7) . . ?
O4AA Ag9 S3 116.8(7) . . ?
O4AA Ag9 O12 97.1(10) . 2_766 ?
Ag1 Ag10 Ag11 64.0(2) . . ?
Ag1 Ag10 Ag17 75.4(2) . . ?
Ag3 Ag10 Ag1 52.93(3) . . ?
Ag3 Ag10 Ag11 89.94(19) . . ?
Ag3 Ag10 Ag17 94.8(3) . . ?
Ag6 Ag10 Ag1 53.65(3) . . ?
Ag6 Ag10 Ag3 54.40(4) . . ?
Ag6 Ag10 Ag11 117.6(2) . . ?
Ag6 Ag10 Ag17 129.0(2) . . ?
Ag14 Ag10 Ag1 73.66(17) 2_766 . ?
Ag14 Ag10 Ag3 118.1(2) 2_766 . ?
Ag14 Ag10 Ag6 117.11(17) 2_766 . ?
Ag19 Ag10 Ag1 79.9(3) 2_766 . ?
Ag19 Ag10 Ag3 132.8(3) 2_766 . ?
Ag19 Ag10 Ag6 101.0(4) 2_766 . ?
S1 Ag10 Ag1 70.04(9) . . ?
S1 Ag10 Ag3 53.28(9) . . ?
S1 Ag10 Ag6 105.29(10) . . ?
S1 Ag10 Ag11 48.92(16) . . ?
S1 Ag10 Ag14 83.0(2) . 2_766 ?
S1 Ag10 Ag17 47.2(3) . . ?
S1 Ag10 Ag19 114.0(4) . 2_766 ?
S1 Ag10 S3 140.43(14) . . ?
S3 Ag10 Ag1 70.86(10) . . ?
S3 Ag10 Ag3 105.29(10) . . ?
S3 Ag10 Ag6 53.49(9) . . ?
S3 Ag10 Ag11 106.84(15) . . ?
S3 Ag10 Ag14 80.5(2) . 2_766 ?
S3 Ag10 Ag17 115.8(4) . . ?
S3 Ag10 Ag19 52.4(4) . 2_766 ?
O15 Ag10 Ag1 158.9(5) . . ?
O15 Ag10 Ag3 144.0(6) . . ?
O15 Ag10 Ag6 141.2(6) . . ?
O15 Ag10 Ag11 98.8(6) . . ?
O15 Ag10 Ag14 85.2(6) . 2_766 ?
O15 Ag10 Ag19 81.6(7) . 2_766 ?
O15 Ag10 S1 108.8(7) . . ?
O15 Ag10 S3 105.3(7) . . ?
O15 Ag10 O3AA 95.4(9) . . ?
O3AA Ag10 Ag1 105.5(7) . . ?
O3AA Ag10 Ag3 63.2(8) . . ?
O3AA Ag10 Ag6 60.2(7) . . ?
O3AA Ag10 Ag11 149.1(8) . . ?
O3AA Ag10 Ag14 176.0(8) . 2_766 ?
O3AA Ag10 Ag17 146.3(9) . . ?
O3AA Ag10 Ag19 144.6(9) . 2_766 ?
O3AA Ag10 S1 100.5(8) . . ?
O3AA Ag10 S3 95.5(8) . . ?
Ag10 Ag11 Ag12 115.1(3) . . ?
Ag10 Ag11 Ag12 61.1(2) . 2_766 ?
Ag12 Ag11 Ag12 87.4(2) 2_766 . ?
S1 Ag11 Ag10 48.44(18) . . ?
S1 Ag11 Ag12 106.8(3) . 2_766 ?
S1 Ag11 Ag12 104.1(4) . . ?
S2 Ag11 Ag10 135.8(5) 2_766 . ?
S2 Ag11 Ag12 105.1(4) 2_766 . ?
S2 Ag11 Ag12 104.9(3) 2_766 2_766 ?
S2 Ag11 S1 137.4(4) 2_766 . ?
S4 Ag11 Ag10 87.8(2) . . ?
S4 Ag11 Ag12 43.92(18) . 2_766 ?
S4 Ag11 Ag12 43.5(2) . . ?
S4 Ag11 S1 111.6(3) . . ?
S4 Ag11 S2 111.0(3) . 2_766 ?
Ag1 Ag12 Ag8 56.90(11) . . ?
Ag1 Ag12 Ag11 62.12(17) . . ?
Ag7 Ag12 Ag1 56.67(12) . . ?
Ag7 Ag12 Ag8 85.45(15) . . ?
Ag7 Ag12 Ag11 60.66(19) . . ?
Ag7 Ag12 Ag11 119.8(2) . 2_766 ?
Ag8 Ag12 Ag11 119.0(2) . . ?
Ag11 Ag12 Ag1 63.10(19) 2_766 . ?
Ag11 Ag12 Ag8 60.6(2) 2_766 . ?
Ag11 Ag12 Ag11 92.6(2) 2_766 . ?
S3 Ag12 Ag1 160.2(3) 2_766 . ?
S3 Ag12 Ag7 132.7(3) 2_766 . ?
S3 Ag12 Ag8 133.2(3) 2_766 . ?
S3 Ag12 Ag11 105.0(3) 2_766 . ?
S3 Ag12 Ag11 104.9(3) 2_766 2_766 ?
S4 Ag12 Ag1 48.23(11) . . ?
S4 Ag12 Ag7 90.1(2) . . ?
S4 Ag12 Ag8 89.9(2) . . ?
S4 Ag12 Ag11 46.6(3) . 2_766 ?
S4 Ag12 Ag11 46.06(19) . . ?
S4 Ag12 S3 111.9(3) . 2_766 ?
S4 Ag12 S5 115.4(3) . . ?
S5 Ag12 Ag1 67.20(17) . . ?
S5 Ag12 Ag7 48.35(18) . . ?
S5 Ag12 Ag8 48.51(17) . . ?
S5 Ag12 Ag11 107.1(3) . . ?
S5 Ag12 Ag11 107.4(3) . 2_766 ?
S5 Ag12 S3 132.6(3) . 2_766 ?
Ag7 Ag13 Ag9 102.7(4) . 2_766 ?
S1 Ag13 Ag7 51.8(2) . . ?
S1 Ag13 Ag9 154.0(6) . 2_766 ?
S1 Ag13 S2 154.6(8) . 2_766 ?
S2 Ag13 Ag7 152.5(6) 2_766 . ?
S2 Ag13 Ag9 50.0(2) 2_766 2_766 ?
Ag10 Ag14 Ag8 147.0(3) 2_766 . ?
S4 Ag14 Ag8 104.9(3) . . ?
S4 Ag14 Ag10 108.0(3) . 2_766 ?
Ag9 Ag15 Ag7 111.1(5) 2_766 . ?
S3 Ag15 Ag7 164.8(6) 2_766 . ?
S3 Ag15 Ag9 53.7(2) 2_766 2_766 ?
S3 Ag15 S5 142.8(7) 2_766 . ?
S5 Ag15 Ag7 52.4(2) . . ?
S5 Ag15 Ag9 163.5(6) . 2_766 ?
Ag9 Ag16 Ag7 149.4(5) 2_766 . ?
Ag9 Ag16 S4 106.9(4) 2_766 . ?
S4 Ag16 Ag7 103.1(4) . . ?
Ag10 Ag17 Ag8 99.9(5) . 2_766 ?
S1 Ag17 Ag8 150.2(6) . 2_766 ?
S1 Ag17 Ag10 50.6(3) . . ?
S2 Ag17 Ag8 49.8(3) 2_766 2_766 ?
S2 Ag17 Ag10 149.4(7) 2_766 . ?
S2 Ag17 S1 158.7(10) 2_766 . ?
S3 Ag18 S4 100.5(4) 2_766 . ?
S5 Ag18 S3 159.1(7) . 2_766 ?
S5 Ag18 S4 100.3(4) . . ?
Ag10 Ag19 Ag8 112.8(8) 2_766 . ?
S3 Ag19 Ag8 168.2(9) 2_766 . ?
S3 Ag19 Ag10 55.4(3) 2_766 2_766 ?
S3 Ag19 S5 139.0(11) 2_766 . ?
S5 Ag19 Ag8 52.8(3) . . ?
S5 Ag19 Ag10 165.6(10) . 2_766 ?
Ag7 S1 Ag3 73.27(11) . . ?
Ag7 S1 Ag11 84.4(3) . . ?
Ag10 S1 Ag3 75.30(11) . . ?
Ag10 S1 Ag7 128.67(15) . . ?
Ag10 S1 Ag11 82.6(3) . . ?
Ag11 S1 Ag3 126.1(2) . . ?
Ag13 S1 Ag3 137.9(5) . . ?
Ag13 S1 Ag7 80.3(4) . . ?
Ag13 S1 Ag10 97.9(3) . . ?
Ag17 S1 Ag3 139.7(5) . . ?
Ag17 S1 Ag7 96.9(3) . . ?
Ag17 S1 Ag10 82.2(5) . . ?
C1AA S1 Ag3 108.6(9) . . ?
C1AA S1 Ag7 115.2(7) . . ?
C1AA S1 Ag10 112.7(7) . . ?
C1AA S1 Ag11 125.3(10) . . ?
C1AA S1 Ag13 112.2(10) . . ?
C1AA S1 Ag17 110.8(10) . . ?
Ag8 S2 Ag4 72.72(11) . . ?
Ag9 S2 Ag4 73.80(11) . . ?
Ag9 S2 Ag8 129.49(15) . . ?
Ag11 S2 Ag4 126.4(2) 2_766 . ?
Ag11 S2 Ag8 84.5(3) 2_766 . ?
Ag11 S2 Ag9 86.1(3) 2_766 . ?
Ag13 S2 Ag4 139.0(4) 2_766 . ?
Ag13 S2 Ag8 99.7(3) 2_766 . ?
Ag13 S2 Ag9 82.2(4) 2_766 . ?
Ag17 S2 Ag4 139.9(5) 2_766 . ?
Ag17 S2 Ag8 84.1(5) 2_766 . ?
Ag17 S2 Ag9 98.6(3) 2_766 . ?
C2AA S2 Ag4 111.1(10) . . ?
C2AA S2 Ag8 115.0(9) . . ?
C2AA S2 Ag9 111.8(10) . . ?
C2AA S2 Ag11 122.5(11) . 2_766 ?
C2AA S2 Ag13 108.5(10) . 2_766 ?
C2AA S2 Ag17 108.2(12) . 2_766 ?
Ag6 S3 Ag12 124.6(2) . 2_766 ?
Ag9 S3 Ag6 74.16(11) . . ?
Ag9 S3 Ag10 129.45(17) . . ?
Ag9 S3 Ag12 84.5(2) . 2_766 ?
Ag10 S3 Ag6 73.51(12) . . ?
Ag10 S3 Ag12 83.0(2) . 2_766 ?
Ag15 S3 Ag6 136.6(3) 2_766 . ?
Ag15 S3 Ag9 75.2(3) 2_766 . ?
Ag15 S3 Ag10 104.5(3) 2_766 . ?
Ag18 S3 Ag6 137.3(4) 2_766 . ?
Ag18 S3 Ag9 90.1(4) 2_766 . ?
Ag18 S3 Ag10 88.2(4) 2_766 . ?
Ag19 S3 Ag6 134.9(6) 2_766 . ?
Ag19 S3 Ag9 107.3(4) 2_766 . ?
Ag19 S3 Ag10 72.2(6) 2_766 . ?
C48 S3 Ag6 117.5(9) . . ?
C48 S3 Ag9 115.5(9) . . ?
C48 S3 Ag10 113.6(9) . . ?
C48 S3 Ag12 117.9(9) . 2_766 ?
C48 S3 Ag15 103.2(10) . 2_766 ?
C48 S3 Ag18 105.1(10) . 2_766 ?
C48 S3 Ag19 102.6(10) . 2_766 ?
C100 S3 Ag6 99.2(15) . . ?
C100 S3 Ag9 107.9(12) . . ?
C100 S3 Ag10 114.8(12) . . ?
Ag1 S4 Ag1 180.0 2_766 . ?
Ag1 S4 Ag16 89.5(2) 2_766 . ?
Ag1 S4 Ag16 90.5(3) . . ?
Ag1 S4 Ag16 89.5(2) . 2_766 ?
Ag1 S4 Ag16 90.5(3) 2_766 2_766 ?
Ag1 S4 Ag18 90.71(18) . 2_766 ?
Ag1 S4 Ag18 89.29(19) 2_766 2_766 ?
Ag1 S4 Ag18 89.29(19) . . ?
Ag1 S4 Ag18 90.71(19) 2_766 . ?
Ag11 S4 Ag1 90.56(16) . 2_766 ?
Ag11 S4 Ag1 90.56(16) 2_766 . ?
Ag11 S4 Ag1 89.44(16) 2_766 2_766 ?
Ag11 S4 Ag1 89.44(16) . . ?
Ag11 S4 Ag11 180.0 . 2_766 ?
Ag11 S4 Ag14 45.2(4) . 2_766 ?
Ag11 S4 Ag14 134.8(4) 2_766 2_766 ?
Ag11 S4 Ag16 132.0(5) . 2_766 ?
Ag11 S4 Ag16 48.0(5) 2_766 2_766 ?
Ag11 S4 Ag18 90.7(4) 2_766 2_766 ?
Ag11 S4 Ag18 89.3(4) . 2_766 ?
Ag12 S4 Ag1 87.96(16) . . ?
Ag12 S4 Ag1 92.05(16) 2_766 . ?
Ag12 S4 Ag1 92.05(16) . 2_766 ?
Ag12 S4 Ag1 87.95(16) 2_766 2_766 ?
Ag12 S4 Ag11 90.5(4) . . ?
Ag12 S4 Ag11 89.5(4) 2_766 . ?
Ag12 S4 Ag11 90.5(4) 2_766 2_766 ?
Ag12 S4 Ag11 89.5(4) . 2_766 ?
Ag12 S4 Ag12 180.0 . 2_766 ?
Ag12 S4 Ag14 135.6(3) . 2_766 ?
Ag12 S4 Ag14 44.4(3) 2_766 2_766 ?
Ag12 S4 Ag16 42.6(4) 2_766 2_766 ?
Ag12 S4 Ag16 137.4(4) . 2_766 ?
Ag12 S4 Ag18 178.7(3) . 2_766 ?
Ag12 S4 Ag18 1.3(3) 2_766 2_766 ?
Ag14 S4 Ag1 90.80(16) . . ?
Ag14 S4 Ag1 89.21(16) 2_766 . ?
Ag14 S4 Ag14 180.0 2_766 . ?
Ag14 S4 Ag16 86.8(4) . . ?
Ag14 S4 Ag16 93.2(4) 2_766 . ?
Ag16 S4 Ag16 180.0(6) 2_766 . ?
Ag18 S4 Ag18 180.0 2_766 . ?
Ag7 S5 Ag5 74.15(12) . . ?
Ag7 S5 Ag8 128.79(17) . . ?
Ag7 S5 Ag19 106.7(4) . . ?
Ag8 S5 Ag5 73.16(12) . . ?
Ag8 S5 Ag19 74.5(6) . . ?
Ag12 S5 Ag5 125.2(2) . . ?
Ag12 S5 Ag7 83.9(2) . . ?
Ag12 S5 Ag8 84.0(2) . . ?
Ag15 S5 Ag5 138.3(3) . . ?
Ag15 S5 Ag7 75.7(3) . . ?
Ag15 S5 Ag8 105.6(3) . . ?
Ag18 S5 Ag5 139.0(4) . . ?
Ag18 S5 Ag7 89.9(4) . . ?
Ag18 S5 Ag8 89.7(4) . . ?
Ag19 S5 Ag5 137.2(5) . . ?
C50 S5 Ag5 108.9(12) . . ?
C50 S5 Ag7 113.7(9) . . ?
C50 S5 Ag8 113.7(9) . . ?
C50 S5 Ag12 125.9(12) . . ?
C50 S5 Ag15 109.2(12) . . ?
C50 S5 Ag18 112.1(12) . . ?
C50 S5 Ag19 109.3(12) . . ?
C13 O9 Ag8 119(2) . . ?
C13 O10 Ag5 131(2) . . ?
O9 C13 O10 130(2) . . ?
O9 C13 C14 115.5(15) . . ?
O10 C13 C14 114.7(14) . . ?
F21 C14 C13 115.0(18) . . ?
F21 C14 C15 101.4(17) . . ?
F22 C14 F21 105.9(18) . . ?
F22 C14 C13 112.3(19) . . ?
F22 C14 C15 101.0(17) . . ?
C15 C14 C13 119.4(16) . . ?
F23 C15 C14 105.5(14) . . ?
F24 C15 F23 109.6(15) . . ?
F24 C15 C14 109.7(15) . . ?
F25 C15 F23 110.3(15) . . ?
F25 C15 F24 111.9(15) . . ?
F25 C15 C14 109.6(15) . . ?
C4 O3 Ag2 112.8(16) . . ?
C4 O4 Ag4 118.9(15) . . ?
O3 C4 O4 133.8(19) . . ?
O3 C4 C5 111.8(15) . . ?
O4 C4 C5 114.4(16) . . ?
F6 C5 F7 100.9(16) . . ?
F6 C5 C4 116.5(18) . . ?
F6 C5 C6 103.5(15) . . ?
F7 C5 C4 113.0(15) . . ?
F7 C5 C6 103.6(15) . . ?
C6 C5 C4 117.3(16) . . ?
F8 C6 C5 102.6(15) . . ?
F9 C6 F8 108.1(17) . . ?
F9 C6 C5 112.5(16) . . ?
F10 C6 F8 115.7(18) . . ?
F10 C6 F9 107.6(16) . . ?
F10 C6 C5 110.5(16) . . ?
C7 O5 Ag2 119.0(18) . . ?
C7 O6 Ag6 119.4(19) . . ?
O5 C7 O6 127(2) . . ?
O5 C7 C8 113.3(18) . . ?
O6 C7 C8 112.1(18) . . ?
F11 C8 C7 114.7(16) . . ?
F11 C8 C9 98.8(15) . . ?
F12 C8 F11 108.3(17) . . ?
F12 C8 C7 115.7(17) . . ?
F12 C8 C9 103.6(16) . . ?
C9 C8 C7 113.9(17) . . ?
F13 C9 C8 98.5(15) . . ?
F14 C9 F13 110.8(18) . . ?
F14 C9 C8 115.3(18) . . ?
F15 C9 F13 116.4(19) . . ?
F15 C9 F14 108.0(17) . . ?
F15 C9 C8 107.7(16) . . ?
C10 O7 Ag2 125.6(19) . . ?
C10 O8 Ag6 120.7(19) . . ?
O7 C10 O8 126(3) . . ?
O7 C10 C11 113.4(19) . . ?
O8 C10 C11 114.3(19) . . ?
F16 C11 F17 106.8(17) . . ?
F16 C11 C10 117.3(16) . . ?
F16 C11 C12 100.7(15) . . ?
F17 C11 C10 117.7(18) . . ?
F17 C11 C12 102.2(16) . . ?
C12 C11 C10 109.8(17) . . ?
F18 C12 C11 100.0(16) . . ?
F19 C12 F18 115.2(18) . . ?
F19 C12 C11 106.7(17) . . ?
F20 C12 F18 114.1(18) . . ?
F20 C12 F19 111.0(18) . . ?
F20 C12 C11 108.8(17) . . ?
C16 O11 Ag7 116(2) . . ?
C16 O12 Ag9 163(3) . 2_766 ?
O11 C16 C17 117(2) . . ?
O12 C16 O11 126(2) . . ?
O12 C16 C17 115(2) . . ?
F26 C17 F27 105.5(18) . . ?
F26 C17 C16 116.7(17) . . ?
F26 C17 C18 101.4(16) . . ?
F27 C17 C16 113.6(19) . . ?
F27 C17 C18 101.4(16) . . ?
C18 C17 C16 116.3(19) . . ?
F28 C18 C17 105.3(17) . . ?
F29 C18 F28 109.9(19) . . ?
F29 C18 C17 112.3(18) . . ?
F30 C18 F28 112.2(19) . . ?
F30 C18 F29 110.1(19) . . ?
F30 C18 C17 107.0(17) . . ?
C19 O13 Ag7 167(3) . . ?
O13 C19 O14 128(3) . . ?
O13 C19 C20 114(2) . . ?
O14 C19 C20 115(2) . . ?
F31 C20 C19 117.0(19) . . ?
F31 C20 C21 98.9(17) . . ?
F32 C20 F31 105.9(19) . . ?
F32 C20 C19 114.5(19) . . ?
F32 C20 C21 102.2(17) . . ?
C21 C20 C19 116(2) . . ?
F33 C21 C20 103.3(18) . . ?
F34 C21 F33 112(2) . . ?
F34 C21 C20 109.2(18) . . ?
F35 C21 F33 112(2) . . ?
F35 C21 F34 112(2) . . ?
F35 C21 C20 108.6(19) . . ?
C22 O15 Ag10 111.7(15) . . ?
C22 O16 Ag8 158.7(18) . 2_766 ?
O15 C22 O16 127(2) . . ?
O15 C22 C23 116.1(17) . . ?
O16 C22 C23 114.3(17) . . ?
F36 C23 C22 114.6(15) . . ?
F36 C23 C24 99.0(14) . . ?
F37 C23 F36 105.6(16) . . ?
F37 C23 C22 115.5(18) . . ?
F37 C23 C24 105.0(15) . . ?
C24 C23 C22 115.3(17) . . ?
F38 C24 C23 104.2(16) . . ?
F39 C24 F38 106.7(16) . . ?
F39 C24 C23 113.5(17) . . ?
F40 C24 F38 117.1(18) . . ?
F40 C24 F39 111.6(17) . . ?
F40 C24 C23 103.8(15) . . ?
O17 C25 C26 116(2) . . ?
O18 C25 O17 128(3) . . ?
O18 C25 C26 116(2) . . ?
F41 C26 C25 116(2) . . ?
F41 C26 C27 100.3(19) . . ?
F42 C26 F41 107(2) . . ?
F42 C26 C25 117(2) . . ?
F42 C26 C27 99.6(19) . . ?
C27 C26 C25 114.9(19) . . ?
F43 C27 C26 102.9(19) . . ?
F44 C27 F43 108(2) . . ?
F44 C27 C26 112(2) . . ?
F45 C27 F43 115(2) . . ?
F45 C27 F44 114(2) . . ?
F45 C27 C26 104.4(19) . . ?
C7AA O0AA Ag5 124(2) . . ?
C1 O1 Ag3 123.2(16) . . ?
C1 O2 Ag2 115.9(17) . . ?
C54 O3AA Ag10 166(3) . . ?
C31 O4AA Ag9 122(3) . . ?
C4AA O23 Ag7 122(2) . . ?
C3AA N2 C29 129(4) . . ?
C4AA N2 C3AA 113(3) . . ?
C4AA N2 C29 117(3) . . ?
C31 N8 C44 122(3) . . ?
C31 N8 C53 123(3) . . ?
C53 N8 C44 114(4) . . ?
C7AA N10 C0AA 121(2) . . ?
C7AA N10 C55 123(2) . . ?
C55 N10 C0AA 116(2) . . ?
C1BA N38 C54 123(2) . . ?
C1BA N38 C66 124(2) . . ?
C54 N38 C66 113(2) . . ?
O1 C1 C2 114.3(16) . . ?
O2 C1 O1 128(2) . . ?
O2 C1 C2 116.6(16) . . ?
C5AA C1AA S1 112(2) . . ?
C5AA C1AA C8AA 108(3) . . ?
C8AA C1AA S1 109(2) . . ?
C9AA C1AA S1 110(2) . . ?
C34 C1AA S1 111(3) . . ?
C34 C1AA C9AA 128(4) . . ?
F1 C2 C1 116.8(14) . . ?
F1 C2 C3 100.8(10) . . ?
F2 C2 F1 105.0(11) . . ?
F2 C2 C1 115.6(15) . . ?
F2 C2 C3 101.4(10) . . ?
C3 C2 C1 115.1(15) . . ?
C39 C2AA S2 110.1(19) . . ?
C79 C2AA S2 112(2) . . ?
C79 C2AA C39 136(3) . . ?
F3 C3 C2 109.7(10) . . ?
F4 C3 F3 108.6(10) . . ?
F4 C3 C2 111.3(10) . . ?
F5 C3 F3 109.6(10) . . ?
F5 C3 F4 108.3(10) . . ?
F5 C3 C2 109.4(10) . . ?
O23 C4AA N2 108(3) . . ?
O0AA C7AA N10 124(3) . . ?
O4AA C31 N8 109(4) . . ?
C63 C48 S3 112(2) . . ?
C77 C48 S3 106(2) . . ?
C77 C48 C63 102(2) . . ?
C69 C50 S5 107.6(19) . . ?
C69 C50 C92 115(3) . . ?
C92 C50 S5 110(2) . . ?
O3AA C54 N38 116(3) . . ?
C6AA C100 S3 107(3) . . ?
C80 C100 S3 103(3) . . ?
C80 C100 C6AA 110(4) . . ?
C35 N33 C56 118(2) . . ?
C35 N33 C116 126(2) . . ?
C116 N33 C56 116(2) . . ?
O43 C35 N33 103(3) . . ?
C35 O43 Ag8 115(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag2 O3 C4 O4 -26(6) . . . . ?
Ag2 O3 C4 C5 153.9(17) . . . . ?
Ag2 O5 C7 O6 -37(6) . . . . ?
Ag2 O5 C7 C8 176.2(18) . . . . ?
Ag2 O7 C10 O8 23(6) . . . . ?
Ag2 O7 C10 C11 174(2) . . . . ?
Ag2 O2 C1 O1 38(5) . . . . ?
Ag2 O2 C1 C2 -154.5(18) . . . . ?
Ag3 S1 C1AA C5AA -114(2) . . . . ?
Ag3 S1 C1AA C8AA 127(2) . . . . ?
Ag3 S1 C1AA C9AA -73(3) . . . . ?
Ag3 S1 C1AA C34 74(3) . . . . ?
Ag3 O1 C1 O2 -19(6) . . . . ?
Ag3 O1 C1 C2 174.1(16) . . . . ?
Ag4 S2 C2AA C39 -119(2) . . . . ?
Ag4 S2 C2AA C79 47(3) . . . . ?
Ag4 O4 C4 O3 -4(6) . . . . ?
Ag4 O4 C4 C5 176.1(17) . . . . ?
Ag5 S5 C50 C69 -120(2) . . . . ?
Ag5 S5 C50 C92 114(2) . . . . ?
Ag5 O10 C13 O9 7(5) . . . . ?
Ag5 O10 C13 C14 -169(3) . . . . ?
Ag5 O0AA C7AA N10 -157(2) . . . . ?
Ag6 S3 C48 C63 -48(3) . . . . ?
Ag6 S3 C48 C77 62(2) . . . . ?
Ag6 S3 C100 C6AA 126(3) . . . . ?
Ag6 S3 C100 C80 -118(3) . . . . ?
Ag6 O6 C7 O5 39(5) . . . . ?
Ag6 O6 C7 C8 -173.8(19) . . . . ?
Ag6 O8 C10 O7 -20(6) . . . . ?
Ag6 O8 C10 C11 -171(2) . . . . ?
Ag7 S1 C1AA C5AA -34(3) . . . . ?
Ag7 S1 C1AA C8AA -153(2) . . . . ?
Ag7 S1 C1AA C9AA 6(4) . . . . ?
Ag7 S1 C1AA C34 154(3) . . . . ?
Ag7 S5 C50 C69 160(2) . . . . ?
Ag7 S5 C50 C92 34(3) . . . . ?
Ag7 O11 C16 O12 25(7) . . . . ?
Ag7 O11 C16 C17 -168(2) . . . . ?
Ag7 O13 C19 O14 -167(14) . . . . ?
Ag7 O13 C19 C20 32(19) . . . . ?
Ag7 O23 C4AA N2 -169(2) . . . . ?
Ag8 S2 C2AA C39 161(2) . . . . ?
Ag8 S2 C2AA C79 -33(3) . . . . ?
Ag8 S5 C50 C69 -40(3) . . . . ?
Ag8 S5 C50 C92 -166(2) . . . . ?
Ag8 O9 C13 O10 6(4) . . . . ?
Ag8 O9 C13 C14 -178(2) . . . . ?
Ag8 O16 C22 O15 -165(5) 2_766 . . . ?
Ag8 O16 C22 C23 -2(9) 2_766 . . . ?
Ag8 O18 C25 O17 -53(4) 2_766 . . . ?
Ag8 O18 C25 C26 127(3) 2_766 . . . ?
Ag9 S2 C2AA C39 -38(3) . . . . ?
Ag9 S2 C2AA C79 127(3) . . . . ?
Ag9 S3 C48 C63 -133(2) . . . . ?
Ag9 S3 C48 C77 -23(2) . . . . ?
Ag9 S3 C100 C6AA 49(4) . . . . ?
Ag9 S3 C100 C80 165(3) . . . . ?
Ag9 O12 C16 O11 -156(9) 2_766 . . . ?
Ag9 O12 C16 C17 37(14) 2_766 . . . ?
Ag9 O14 C19 O13 2(8) 2_766 . . . ?
Ag9 O14 C19 C20 163(2) 2_766 . . . ?
Ag9 O4AA C31 N8 164(2) . . . . ?
Ag10 S1 C1AA C5AA 165(2) . . . . ?
Ag10 S1 C1AA C8AA 46(3) . . . . ?
Ag10 S1 C1AA C9AA -155(3) . . . . ?
Ag10 S1 C1AA C34 -7(3) . . . . ?
Ag10 S3 C48 C63 35(3) . . . . ?
Ag10 S3 C48 C77 145(2) . . . . ?
Ag10 S3 C100 C6AA -158(3) . . . . ?
Ag10 S3 C100 C80 -42(4) . . . . ?
Ag10 O15 C22 O16 -12(5) . . . . ?
Ag10 O15 C22 C23 -174.4(19) . . . . ?
Ag10 O3AA C54 N38 -71(12) . . . . ?
Ag11 S1 C1AA C5AA 68(3) . . . . ?
Ag11 S1 C1AA C8AA -51(3) . . . . ?
Ag11 S2 C2AA C39 61(3) 2_766 . . . ?
Ag11 S2 C2AA C79 -133(2) 2_766 . . . ?
Ag12 S3 C48 C63 129(2) 2_766 . . . ?
Ag12 S3 C48 C77 -120(2) 2_766 . . . ?
Ag12 S5 C50 C69 60(3) . . . . ?
Ag12 S5 C50 C92 -66(3) . . . . ?
Ag13 S1 C1AA C9AA 96(3) . . . . ?
Ag13 S1 C1AA C34 -116(3) . . . . ?
Ag13 S2 C2AA C39 51(3) 2_766 . . . ?
Ag13 S2 C2AA C79 -144(3) 2_766 . . . ?
Ag15 S3 C100 C6AA -33(4) 2_766 . . . ?
Ag15 S3 C100 C80 83(3) 2_766 . . . ?
Ag15 S5 C50 C69 77(3) . . . . ?
Ag15 S5 C50 C92 -49(3) . . . . ?
Ag17 S2 C2AA C39 69(3) 2_766 . . . ?
Ag17 S2 C2AA C79 -125(3) 2_766 . . . ?
Ag18 S5 C50 C69 60(3) . . . . ?
Ag18 S5 C50 C92 -66(3) . . . . ?
Ag19 S5 C50 C69 41(3) . . . . ?
Ag19 S5 C50 C92 -85(3) . . . . ?
F21 C14 C15 F23 167(2) . . . . ?
F21 C14 C15 F24 -75(2) . . . . ?
F21 C14 C15 F25 48(2) . . . . ?
F22 C14 C15 F23 58(2) . . . . ?
F22 C14 C15 F24 176(2) . . . . ?
F22 C14 C15 F25 -61(2) . . . . ?
O9 C13 C14 F21 151(3) . . . . ?
O9 C13 C14 F22 -88(3) . . . . ?
O9 C13 C14 C15 30(3) . . . . ?
O10 C13 C14 F21 -32(3) . . . . ?
O10 C13 C14 F22 89(3) . . . . ?
O10 C13 C14 C15 -153(3) . . . . ?
C13 C14 C15 F23 -66(2) . . . . ?
C13 C14 C15 F24 52(2) . . . . ?
C13 C14 C15 F25 175(2) . . . . ?
F1 C2 C3 F3 -169.7(13) . . . . ?
F1 C2 C3 F4 -49.6(14) . . . . ?
F1 C2 C3 F5 70.1(14) . . . . ?
F2 C2 C3 F3 -61.8(14) . . . . ?
F2 C2 C3 F4 58.3(13) . . . . ?
F2 C2 C3 F5 177.9(13) . . . . ?
F6 C5 C6 F8 174.7(17) . . . . ?
F6 C5 C6 F9 59(2) . . . . ?
F6 C5 C6 F10 -61(2) . . . . ?
F7 C5 C6 F8 69.7(19) . . . . ?
F7 C5 C6 F9 -46(2) . . . . ?
F7 C5 C6 F10 -166.4(19) . . . . ?
O3 C4 C5 F6 -101(3) . . . . ?
O3 C4 C5 F7 16(4) . . . . ?
O3 C4 C5 C6 136(3) . . . . ?
O4 C4 C5 F6 80(3) . . . . ?
O4 C4 C5 F7 -164(3) . . . . ?
O4 C4 C5 C6 -44(4) . . . . ?
C4 C5 C6 F8 -56(2) . . . . ?
C4 C5 C6 F9 -171(2) . . . . ?
C4 C5 C6 F10 68(2) . . . . ?
F11 C8 C9 F13 -54.9(19) . . . . ?
F11 C8 C9 F14 63(2) . . . . ?
F11 C8 C9 F15 -176(2) . . . . ?
F12 C8 C9 F13 -166.2(18) . . . . ?
F12 C8 C9 F14 -48(2) . . . . ?
F12 C8 C9 F15 72(2) . . . . ?
O5 C7 C8 F11 -8(4) . . . . ?
O5 C7 C8 F12 119(3) . . . . ?
O5 C7 C8 C9 -121(3) . . . . ?
O6 C7 C8 F11 -160(3) . . . . ?
O6 C7 C8 F12 -33(4) . . . . ?
O6 C7 C8 C9 87(3) . . . . ?
C7 C8 C9 F13 67.2(19) . . . . ?
C7 C8 C9 F14 -174.8(18) . . . . ?
C7 C8 C9 F15 -54(2) . . . . ?
F16 C11 C12 F18 69.2(19) . . . . ?
F16 C11 C12 F19 -170.6(19) . . . . ?
F16 C11 C12 F20 -51(2) . . . . ?
F17 C11 C12 F18 179.1(19) . . . . ?
F17 C11 C12 F19 -61(2) . . . . ?
F17 C11 C12 F20 59(2) . . . . ?
O7 C10 C11 F16 5(4) . . . . ?
O7 C10 C11 F17 -125(3) . . . . ?
O7 C10 C11 C12 119(3) . . . . ?
O8 C10 C11 F16 159(3) . . . . ?
O8 C10 C11 F17 30(4) . . . . ?
O8 C10 C11 C12 -87(4) . . . . ?
C10 C11 C12 F18 -55.2(19) . . . . ?
C10 C11 C12 F19 65(2) . . . . ?
C10 C11 C12 F20 -175.1(19) . . . . ?
F26 C17 C18 F28 80(2) . . . . ?
F26 C17 C18 F29 -39(2) . . . . ?
F26 C17 C18 F30 -160(2) . . . . ?
F27 C17 C18 F28 -171(2) . . . . ?
F27 C17 C18 F29 69(2) . . . . ?
F27 C17 C18 F30 -52(2) . . . . ?
O11 C16 C17 F26 -170(4) . . . . ?
O11 C16 C17 F27 67(5) . . . . ?
O11 C16 C17 C18 -50(5) . . . . ?
O12 C16 C17 F26 -2(5) . . . . ?
O12 C16 C17 F27 -125(4) . . . . ?
O12 C16 C17 C18 118(4) . . . . ?
C16 C17 C18 F28 -47(2) . . . . ?
C16 C17 C18 F29 -167(2) . . . . ?
C16 C17 C18 F30 72(2) . . . . ?
F31 C20 C21 F33 -174(2) . . . . ?
F31 C20 C21 F34 66(2) . . . . ?
F31 C20 C21 F35 -56(3) . . . . ?
F32 C20 C21 F33 77(2) . . . . ?
F32 C20 C21 F34 -42(3) . . . . ?
F32 C20 C21 F35 -164(2) . . . . ?
O13 C19 C20 F31 8(5) . . . . ?
O13 C19 C20 F32 132(4) . . . . ?
O13 C19 C20 C21 -109(4) . . . . ?
O14 C19 C20 F31 -156(4) . . . . ?
O14 C19 C20 F32 -31(5) . . . . ?
O14 C19 C20 C21 88(5) . . . . ?
C19 C20 C21 F33 -48(2) . . . . ?
C19 C20 C21 F34 -168(2) . . . . ?
C19 C20 C21 F35 71(3) . . . . ?
F36 C23 C24 F38 70.6(18) . . . . ?
F36 C23 C24 F39 -45(2) . . . . ?
F36 C23 C24 F40 -166.4(17) . . . . ?
F37 C23 C24 F38 179.5(17) . . . . ?
F37 C23 C24 F39 64(2) . . . . ?
F37 C23 C24 F40 -57.5(19) . . . . ?
O15 C22 C23 F36 176(3) . . . . ?
O15 C22 C23 F37 53(4) . . . . ?
O15 C22 C23 C24 -70(4) . . . . ?
O16 C22 C23 F36 12(4) . . . . ?
O16 C22 C23 F37 -112(3) . . . . ?
O16 C22 C23 C24 126(3) . . . . ?
C22 C23 C24 F38 -52(2) . . . . ?
C22 C23 C24 F39 -167.8(19) . . . . ?
C22 C23 C24 F40 71(2) . . . . ?
F41 C26 C27 F43 180(3) . . . . ?
F41 C26 C27 F44 64(3) . . . . ?
F41 C26 C27 F45 -59(3) . . . . ?
F42 C26 C27 F43 71(3) . . . . ?
F42 C26 C27 F44 -45(3) . . . . ?
F42 C26 C27 F45 -168(3) . . . . ?
O17 C25 C26 F41 55(4) . . . . ?
O17 C25 C26 F42 -177(4) . . . . ?
O17 C25 C26 C27 -61(3) . . . . ?
O18 C25 C26 F41 -124(4) . . . . ?
O18 C25 C26 F42 3(4) . . . . ?
O18 C25 C26 C27 120(3) . . . . ?
C25 C26 C27 F43 -56(3) . . . . ?
C25 C26 C27 F44 -171(3) . . . . ?
C25 C26 C27 F45 65(3) . . . . ?
O1 C1 C2 F1 164(3) . . . . ?
O1 C1 C2 F2 39(3) . . . . ?
O1 C1 C2 C3 -79(3) . . . . ?
O2 C1 C2 F1 -5(4) . . . . ?
O2 C1 C2 F2 -130(3) . . . . ?
O2 C1 C2 C3 113(3) . . . . ?
C0AA N10 C7AA O0AA 2(3) . . . . ?
C1 C2 C3 F3 63.8(14) . . . . ?
C1 C2 C3 F4 -176.1(14) . . . . ?
C1 C2 C3 F5 -56.5(14) . . . . ?
C1BA N38 C54 O3AA 1(3) . . . . ?
C3AA N2 C4AA O23 -179(2) . . . . ?
C29 N2 C4AA O23 4(4) . . . . ?
C44 N8 C31 O4AA 0(3) . . . . ?
C53 N8 C31 O4AA 175(3) . . . . ?
C55 N10 C7AA O0AA -179(2) . . . . ?
C66 N38 C54 O3AA -179(2) . . . . ?
N33 C35 O43 Ag8 166(3) . . . . ?
C56 N33 C35 O43 -175(3) . . . . ?
C116 N33 C35 O43 2(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.415 0.080 0.383 15.5 2.9 ?
2 0.585 0.920 0.617 15.5 2.4 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.501
_oxdiff_exptl_absorpt_empirical_full_min 0.483
