# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_ag11_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2040190'
loop_
_audit_author_name
_audit_author_address
'shen yanglin'
;Huazhong University of Science and Technology
China
;
_audit_update_record             
;
2021-06-20 deposited with the CCDC.	2021-06-24 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V69 by Daniel Kratzert, Freiburg 2019,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C114 H147 Ag11 F6 O7 P6 S11'
_chemical_formula_moiety         ?
_chemical_formula_weight         3468.36
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   18.8423(12)
_cell_length_b                   19.7735(13)
_cell_length_c                   21.5231(13)
_cell_angle_alpha                80.980(2)
_cell_angle_beta                 69.874(2)
_cell_angle_gamma                70.541(2)
_cell_volume                     7091.3(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9786
_cell_measurement_theta_min      2.194
_cell_measurement_theta_max      37.472
_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_F_000             3448
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    1.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2094
_exptl_absorpt_correction_T_max  0.2762
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      173(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_source_current           30.0
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON 100'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            78739
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_av_R_equivalents  0.0175
_diffrn_reflns_theta_min         2.578
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             43199
_reflns_number_gt                33826
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_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.
;
_computing_data_collection       'Bruker BIS V6.2.9/2018-03-16'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT (G. Sheldrick)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0807P)²+9.0314P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         43199
_refine_ls_number_parameters     1413
_refine_ls_number_restraints     790
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0422
_refine_ls_wR_factor_ref         0.1360
_refine_ls_wR_factor_gt          0.1252
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.936
_refine_diff_density_min         -2.324
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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 0.38455(2) 0.43016(2) 0.19364(2) 0.04218(7) Uani 1 1 d . U . . .
Ag2 Ag 0.32394(2) 0.65309(2) 0.23071(2) 0.04079(7) Uani 1 1 d . U . . .
Ag3 Ag 0.24692(2) 0.46700(2) 0.32712(2) 0.03550(6) Uani 1 1 d . U . . .
Ag4 Ag 0.47404(2) 0.45161(2) 0.27988(2) 0.03300(6) Uani 1 1 d . U . . .
Ag5 Ag 0.38271(2) 0.36939(2) 0.38806(2) 0.03193(6) Uani 1 1 d . U . . .
Ag6 Ag 0.57192(2) 0.22766(2) 0.37437(2) 0.03412(6) Uani 1 1 d . U . . .
Ag7 Ag 0.63631(2) 0.30857(2) 0.20164(2) 0.03733(6) Uani 1 1 d . U . . .
O7 O 0.6586(12) -0.0661(11) 0.1264(9) 0.327(10) Uani 1 1 d . U . . .
Ag9 Ag 0.20882(2) 0.36123(2) 0.18910(2) 0.03205(6) Uani 1 1 d . U . . .
Ag10 Ag 0.24502(2) 0.60435(2) 0.37587(2) 0.03397(6) Uani 1 1 d . U . . .
Ag11 Ag 0.40465(2) 0.27547(2) 0.27711(2) 0.03384(6) Uani 1 1 d . U . . .
S1 S 0.39338(5) 0.57678(5) 0.31083(5) 0.03331(17) Uani 1 1 d . U . . .
S2 S 0.28272(6) 0.54707(5) 0.22549(5) 0.03895(19) Uani 1 1 d . U . . .
S3 S 0.53163(5) 0.40647(5) 0.16521(4) 0.03255(16) Uani 1 1 d . U . . .
S4 S 0.55101(5) 0.22752(5) 0.26410(5) 0.03390(17) Uani 1 1 d . U . . .
S5 S 0.35106(5) 0.32134(5) 0.18396(4) 0.03329(17) Uani 1 1 d . U . . .
S6 S 0.17395(5) 0.39080(4) 0.30835(4) 0.02746(14) Uani 1 1 d . U . . .
S7 S 0.31982(5) 0.27343(4) 0.39710(4) 0.02939(15) Uani 1 1 d . U . . .
S8 S 0.52302(5) 0.36183(4) 0.36631(4) 0.03138(16) Uani 1 1 d . U . . .
Ag8 Ag 0.22555(2) 0.26071(2) 0.34406(2) 0.03417(6) Uani 1 1 d . U . . .
S9 S 0.27061(5) 0.48052(4) 0.42986(4) 0.03011(15) Uani 1 1 d . U . . .
P1 P 0.13783(5) 0.71246(4) 0.40561(4) 0.02891(16) Uani 1 1 d . U . . .
P2 P 0.31400(6) 0.76702(5) 0.17327(5) 0.03306(18) Uani 1 1 d . U . . .
P3 P 0.77357(5) 0.29372(6) 0.18858(5) 0.03675(19) Uani 1 1 d . U . . .
P4 P 0.64517(5) 0.13173(5) 0.43209(5) 0.03348(18) Uani 1 1 d . U . . .
P5 P 0.19519(5) 0.15702(5) 0.32911(5) 0.03174(17) Uani 1 1 d . U . . .
P6 P 0.14415(6) 0.35848(5) 0.11116(5) 0.03408(18) Uani 1 1 d . U . . .
C2 C 0.1101(2) 0.5005(3) 0.4938(2) 0.0493(10) Uani 1 1 d . U . . .
H2A H 0.102562 0.498484 0.451379 0.074 Uiso 1 1 calc R U . . .
H2B H 0.106194 0.549756 0.500099 0.074 Uiso 1 1 calc R U . . .
H2C H 0.069181 0.485106 0.529902 0.074 Uiso 1 1 calc R U . . .
C3 C 0.1904(2) 0.4515(2) 0.49390(19) 0.0402(8) Uani 1 1 d . U . . .
H3 H 0.194677 0.402286 0.483998 0.048 Uiso 1 1 calc R U . . .
C5 C 0.2954(3) 0.7676(2) 0.09570(19) 0.0448(9) Uani 1 1 d . U . . .
C6 C 0.3566(3) 0.7304(3) 0.0441(2) 0.0552(11) Uani 1 1 d . U . . .
H6 H 0.407440 0.707976 0.049384 0.066 Uiso 1 1 calc R U . . .
C7 C 0.3453(4) 0.7250(3) -0.0153(2) 0.0679(15) Uani 1 1 d . U . . .
H7 H 0.388515 0.701753 -0.051315 0.082 Uiso 1 1 calc R U . . .
C8 C 0.2716(5) 0.7535(5) -0.0210(3) 0.087(2) Uani 1 1 d . U . . .
H8 H 0.262534 0.747462 -0.060321 0.105 Uiso 1 1 calc R U . . .
C9 C 0.2092(5) 0.7914(7) 0.0296(4) 0.130(4) Uani 1 1 d . U . . .
H9 H 0.158555 0.814188 0.024030 0.156 Uiso 1 1 calc R U . . .
C10 C 0.2215(4) 0.7957(5) 0.0888(3) 0.088(2) Uani 1 1 d . U . . .
H10 H 0.178064 0.818468 0.124896 0.105 Uiso 1 1 calc R U . . .
C11 C 0.4075(2) 0.7875(2) 0.1487(2) 0.0397(8) Uani 1 1 d . U . . .
C12 C 0.4619(3) 0.7515(3) 0.1812(3) 0.0659(14) Uani 1 1 d . U . . .
H12 H 0.450463 0.716049 0.215173 0.079 Uiso 1 1 calc R U . . .
C13 C 0.5331(4) 0.7665(4) 0.1649(4) 0.088(2) Uani 1 1 d . U . . .
H13 H 0.570184 0.741198 0.187581 0.106 Uiso 1 1 calc R U . . .
C14 C 0.5503(3) 0.8169(4) 0.1168(3) 0.0762(16) Uani 1 1 d . U . . .
H14 H 0.599227 0.826803 0.105947 0.091 Uiso 1 1 calc R U . . .
C15 C 0.4958(3) 0.8547(3) 0.0827(3) 0.0657(14) Uani 1 1 d . U . . .
H15 H 0.507807 0.890008 0.048747 0.079 Uiso 1 1 calc R U . . .
C16 C 0.4245(3) 0.8398(2) 0.0992(2) 0.0488(10) Uani 1 1 d . U . . .
H16 H 0.387108 0.865190 0.076785 0.059 Uiso 1 1 calc R U . . .
C17 C 0.2397(2) 0.84752(18) 0.21378(18) 0.0350(7) Uani 1 1 d . U . . .
H17A H 0.245379 0.889868 0.183400 0.042 Uiso 1 1 calc R U . . .
H17B H 0.186332 0.843721 0.221016 0.042 Uiso 1 1 calc R U . . .
C18 C 0.2448(3) 0.86041(19) 0.28005(19) 0.0388(8) Uani 1 1 d . U . . .
H18A H 0.206509 0.907501 0.295198 0.047 Uiso 1 1 calc R U . . .
H18B H 0.298537 0.863362 0.272883 0.047 Uiso 1 1 calc R U . . .
C19 C 0.2284(2) 0.8030(2) 0.33560(18) 0.0360(7) Uani 1 1 d . U . . .
H19A H 0.270789 0.757020 0.323278 0.043 Uiso 1 1 calc R U . . .
H19B H 0.230497 0.817515 0.376732 0.043 Uiso 1 1 calc R U . . .
C20 C 0.1488(2) 0.79101(19) 0.34933(18) 0.0349(7) Uani 1 1 d . U . . .
H20A H 0.142853 0.784371 0.306942 0.042 Uiso 1 1 calc R U . . .
H20B H 0.106042 0.834240 0.369068 0.042 Uiso 1 1 calc R U . . .
C21 C 0.0382(2) 0.71163(18) 0.41465(18) 0.0332(7) Uani 1 1 d . U . . .
C22 C 0.0088(3) 0.7290(3) 0.3614(2) 0.0581(12) Uani 1 1 d . U . . .
H22 H 0.040165 0.742807 0.319445 0.070 Uiso 1 1 calc R U . . .
C23 C -0.0668(4) 0.7260(4) 0.3696(3) 0.0760(18) Uani 1 1 d . U . . .
H23 H -0.086734 0.738640 0.333058 0.091 Uiso 1 1 calc R U . . .
C24 C -0.1129(3) 0.7054(3) 0.4291(3) 0.0619(13) Uani 1 1 d . U . . .
H24 H -0.164029 0.702986 0.433906 0.074 Uiso 1 1 calc R U . . .
C25 C -0.0841(3) 0.6882(3) 0.4814(3) 0.0507(10) Uani 1 1 d . U . . .
H25 H -0.115931 0.673970 0.522940 0.061 Uiso 1 1 calc R U . . .
C26 C -0.0096(2) 0.6912(2) 0.4755(2) 0.0404(8) Uani 1 1 d . U . . .
H26 H 0.009004 0.679257 0.512791 0.048 Uiso 1 1 calc R U . . .
C27 C 0.12718(19) 0.73753(18) 0.48676(17) 0.0309(6) Uani 1 1 d . U . . .
C28 C 0.1643(2) 0.6877(2) 0.52775(19) 0.0382(7) Uani 1 1 d . U . . .
H28 H 0.198807 0.642333 0.511665 0.046 Uiso 1 1 calc R U . . .
C29 C 0.1514(3) 0.7038(3) 0.5921(2) 0.0489(10) Uani 1 1 d . U . . .
H29 H 0.176936 0.669284 0.619766 0.059 Uiso 1 1 calc R U . . .
C30 C 0.1017(3) 0.7695(3) 0.6161(2) 0.0487(10) Uani 1 1 d . U . . .
H30 H 0.092164 0.779870 0.660389 0.058 Uiso 1 1 calc R U . . .
C31 C 0.0656(2) 0.8207(2) 0.5752(2) 0.0454(9) Uani 1 1 d . U . . .
H31 H 0.032644 0.866518 0.591219 0.054 Uiso 1 1 calc R U . . .
C32 C 0.0777(2) 0.8049(2) 0.5109(2) 0.0383(8) Uani 1 1 d . U . . .
H32 H 0.052368 0.839814 0.483289 0.046 Uiso 1 1 calc R U . . .
C33 C 0.8465(3) 0.2927(3) 0.1068(2) 0.0462(9) Uani 1 1 d . U . . .
C34 C 0.9114(4) 0.2321(4) 0.0839(3) 0.088(2) Uani 1 1 d . U . . .
H34 H 0.918259 0.188849 0.110601 0.106 Uiso 1 1 calc R U . . .
C35 C 0.9652(5) 0.2365(5) 0.0217(4) 0.114(3) Uani 1 1 d . U . . .
H35 H 1.007691 0.194967 0.004713 0.137 Uiso 1 1 calc R U . . .
C36 C 0.9581(4) 0.3002(5) -0.0162(3) 0.0833(19) Uani 1 1 d . U . . .
H36 H 0.996832 0.302858 -0.057972 0.100 Uiso 1 1 calc R U . . .
C37 C 0.8967(4) 0.3581(4) 0.0059(3) 0.0713(15) Uani 1 1 d . U . . .
H37 H 0.891256 0.401473 -0.020821 0.086 Uiso 1 1 calc R U . . .
C38 C 0.8411(3) 0.3555(4) 0.0673(3) 0.0634(14) Uani 1 1 d . U . . .
H38 H 0.798483 0.397419 0.082666 0.076 Uiso 1 1 calc R U . . .
C39 C 0.7854(2) 0.3642(2) 0.22571(18) 0.0358(7) Uani 1 1 d . U . . .
C40 C 0.8603(2) 0.3664(3) 0.2199(2) 0.0457(9) Uani 1 1 d . U . . .
H40 H 0.905728 0.330211 0.196712 0.055 Uiso 1 1 calc R U . . .
C41 C 0.8701(3) 0.4205(3) 0.2473(2) 0.0499(10) Uani 1 1 d . U . . .
H41 H 0.921876 0.420886 0.242949 0.060 Uiso 1 1 calc R U . . .
C42 C 0.8059(3) 0.4728(3) 0.2803(3) 0.0550(11) Uani 1 1 d . U . . .
H42 H 0.812242 0.510321 0.298576 0.066 Uiso 1 1 calc R U . . .
C43 C 0.7318(3) 0.4703(4) 0.2869(4) 0.088(2) Uani 1 1 d . U . . .
H43 H 0.686782 0.506254 0.310805 0.106 Uiso 1 1 calc R U . . .
C44 C 0.7206(3) 0.4172(3) 0.2598(3) 0.0693(16) Uani 1 1 d . U . . .
H44 H 0.668529 0.417229 0.264574 0.083 Uiso 1 1 calc R U . . .
C45 C 0.8175(2) 0.2118(2) 0.2320(2) 0.0388(8) Uani 1 1 d . U . . .
H45A H 0.821765 0.169364 0.210283 0.047 Uiso 1 1 calc R U . . .
H45B H 0.871539 0.210120 0.229285 0.047 Uiso 1 1 calc R U . . .
C46 C 0.7674(2) 0.2089(2) 0.3045(2) 0.0391(8) Uani 1 1 d . U . . .
H46A H 0.771104 0.246208 0.327955 0.047 Uiso 1 1 calc R U . . .
H46B H 0.711188 0.219689 0.307214 0.047 Uiso 1 1 calc R U . . .
C47 C 0.7942(2) 0.1355(2) 0.3385(2) 0.0410(8) Uani 1 1 d . U . . .
H47A H 0.851217 0.123790 0.333278 0.049 Uiso 1 1 calc R U . . .
H47B H 0.787912 0.098787 0.316126 0.049 Uiso 1 1 calc R U . . .
C48 C 0.7481(2) 0.1317(2) 0.4124(2) 0.0401(8) Uani 1 1 d . U . . .
H48A H 0.747819 0.173034 0.433156 0.048 Uiso 1 1 calc R U . . .
H48B H 0.776820 0.087443 0.432869 0.048 Uiso 1 1 calc R U . . .
C49 C 0.6126(2) 0.1264(2) 0.5224(2) 0.0380(7) Uani 1 1 d . U . . .
C50 C 0.6535(3) 0.0711(3) 0.5574(2) 0.0555(12) Uani 1 1 d . U . . .
H50 H 0.698194 0.034405 0.534199 0.067 Uiso 1 1 calc R U . . .
C51 C 0.6295(4) 0.0693(3) 0.6263(3) 0.0650(14) Uani 1 1 d . U . . .
H51 H 0.658139 0.031853 0.649886 0.078 Uiso 1 1 calc R U . . .
C52 C 0.5642(4) 0.1219(3) 0.6603(3) 0.0677(14) Uani 1 1 d . U . . .
H52 H 0.547437 0.120605 0.707323 0.081 Uiso 1 1 calc R U . . .
C53 C 0.5238(4) 0.1758(3) 0.6260(3) 0.0663(14) Uani 1 1 d . U . . .
H53 H 0.478679 0.211888 0.649536 0.080 Uiso 1 1 calc R U . . .
C54 C 0.5476(3) 0.1786(2) 0.5574(2) 0.0521(10) Uani 1 1 d . U . . .
H54 H 0.518943 0.216814 0.534377 0.063 Uiso 1 1 calc R U . . .
C55 C 0.6511(2) 0.04476(19) 0.40931(19) 0.0366(7) Uani 1 1 d . U . . .
C56 C 0.7205(3) -0.0105(2) 0.3884(2) 0.0510(10) Uani 1 1 d . U . . .
H56 H 0.768914 -0.005374 0.388311 0.061 Uiso 1 1 calc R U . . .
C57 C 0.7209(4) -0.0735(2) 0.3674(3) 0.0626(13) Uani 1 1 d . U . . .
H57 H 0.769111 -0.111175 0.353262 0.075 Uiso 1 1 calc R U . . .
C58 C 0.6516(4) -0.0813(3) 0.3671(3) 0.0642(14) Uani 1 1 d . U . . .
H58 H 0.652135 -0.123567 0.350921 0.077 Uiso 1 1 calc R U . . .
C59 C 0.5807(4) -0.0279(3) 0.3902(3) 0.0672(14) Uani 1 1 d . U . . .
H59 H 0.532319 -0.034446 0.391942 0.081 Uiso 1 1 calc R U . . .
C60 C 0.5804(3) 0.0355(2) 0.4109(3) 0.0550(11) Uani 1 1 d . U . . .
H60 H 0.531836 0.072563 0.426035 0.066 Uiso 1 1 calc R U . . .
C61 C 0.1588(2) 0.10391(19) 0.40344(19) 0.0358(7) Uani 1 1 d . U . . .
C62 C 0.1455(2) 0.1276(2) 0.4646(2) 0.0431(8) Uani 1 1 d . U . . .
H62 H 0.157439 0.169838 0.467229 0.052 Uiso 1 1 calc R U . . .
C63 C 0.1144(3) 0.0899(3) 0.5226(2) 0.0547(11) Uani 1 1 d . U . . .
H63 H 0.104353 0.107140 0.564589 0.066 Uiso 1 1 calc R U . . .
C64 C 0.0986(3) 0.0279(3) 0.5188(3) 0.0601(13) Uani 1 1 d . U . . .
H64 H 0.078859 0.001472 0.558223 0.072 Uiso 1 1 calc R U . . .
C65 C 0.1111(3) 0.0042(3) 0.4586(3) 0.0614(13) Uani 1 1 d . U . . .
H65 H 0.098652 -0.037952 0.456356 0.074 Uiso 1 1 calc R U . . .
C66 C 0.1418(3) 0.0411(2) 0.4005(2) 0.0507(10) Uani 1 1 d . U . . .
H66 H 0.151168 0.023734 0.358760 0.061 Uiso 1 1 calc R U . . .
C67 C 0.2813(2) 0.09514(18) 0.27503(19) 0.0362(7) Uani 1 1 d . U . . .
C68 C 0.3561(2) 0.0980(2) 0.2694(2) 0.0478(10) Uani 1 1 d . U . . .
H68 H 0.360566 0.132083 0.293311 0.057 Uiso 1 1 calc R U . . .
C69 C 0.4238(3) 0.0523(3) 0.2296(3) 0.0624(13) Uani 1 1 d . U . . .
H69 H 0.474490 0.054847 0.226047 0.075 Uiso 1 1 calc R U . . .
C70 C 0.4172(3) 0.0021(3) 0.1945(3) 0.0621(13) Uani 1 1 d . U . . .
H70 H 0.463545 -0.030193 0.167625 0.074 Uiso 1 1 calc R U . . .
C71 C 0.3441(3) -0.0006(3) 0.1989(3) 0.0573(12) Uani 1 1 d . U . . .
H71 H 0.340033 -0.034046 0.174036 0.069 Uiso 1 1 calc R U . . .
C72 C 0.2754(3) 0.0451(2) 0.2394(2) 0.0458(9) Uani 1 1 d . U . . .
H72 H 0.224917 0.042285 0.242700 0.055 Uiso 1 1 calc R U . . .
C73 C 0.1198(2) 0.17756(19) 0.28816(19) 0.0355(7) Uani 1 1 d . U . . .
H73A H 0.108583 0.132903 0.285166 0.043 Uiso 1 1 calc R U . . .
H73B H 0.070147 0.211094 0.314804 0.043 Uiso 1 1 calc R U . . .
C74 C 0.1471(2) 0.2113(2) 0.2189(2) 0.0406(8) Uani 1 1 d . U . . .
H74A H 0.185465 0.172972 0.188869 0.049 Uiso 1 1 calc R U . . .
H74B H 0.175100 0.245105 0.220257 0.049 Uiso 1 1 calc R U . . .
C75 C 0.0797(2) 0.2514(2) 0.1901(2) 0.0417(8) Uani 1 1 d . U . . .
H75A H 0.049162 0.218855 0.191229 0.050 Uiso 1 1 calc R U . . .
H75B H 0.043433 0.292418 0.217701 0.050 Uiso 1 1 calc R U . . .
C76 C 0.1114(3) 0.2792(2) 0.1187(2) 0.0453(9) Uani 1 1 d . U . . .
H76A H 0.069253 0.291139 0.097602 0.054 Uiso 1 1 calc R U . . .
H76B H 0.156486 0.240259 0.093920 0.054 Uiso 1 1 calc R U . . .
C77 C 0.1991(2) 0.3658(2) 0.02357(19) 0.0406(8) Uani 1 1 d . U . . .
C78 C 0.2244(3) 0.4265(3) 0.0015(3) 0.0581(12) Uani 1 1 d . U . . .
H78 H 0.214111 0.461241 0.031862 0.070 Uiso 1 1 calc R U . . .
C79 C 0.2646(3) 0.4362(4) -0.0652(3) 0.0691(15) Uani 1 1 d . U . . .
H79 H 0.281668 0.477701 -0.079815 0.083 Uiso 1 1 calc R U . . .
C80 C 0.2798(3) 0.3881(4) -0.1095(3) 0.0731(16) Uani 1 1 d . U . . .
H80 H 0.306658 0.396271 -0.154956 0.088 Uiso 1 1 calc R U . . .
C81 C 0.2564(4) 0.3265(4) -0.0889(3) 0.0749(16) Uani 1 1 d . U . . .
C82 C 0.2151(3) 0.3162(3) -0.0226(2) 0.0592(12) Uani 1 1 d . U . . .
H82 H 0.197583 0.274902 -0.008648 0.071 Uiso 1 1 calc R U . . .
C83 C 0.0566(2) 0.4356(2) 0.11747(18) 0.0363(7) Uani 1 1 d . U . . .
C84 C 0.0443(2) 0.4925(2) 0.1545(2) 0.0454(9) Uani 1 1 d . U . . .
H84 H 0.080562 0.489129 0.177323 0.054 Uiso 1 1 calc R U . . .
C85 C -0.0195(3) 0.5538(3) 0.1589(3) 0.0574(12) Uani 1 1 d . U . . .
H85 H -0.027423 0.592011 0.184709 0.069 Uiso 1 1 calc R U . . .
C86 C -0.0716(3) 0.5585(3) 0.1253(3) 0.0635(13) Uani 1 1 d . U . . .
H86 H -0.115471 0.600506 0.127827 0.076 Uiso 1 1 calc R U . . .
C87 C -0.0608(3) 0.5036(3) 0.0884(3) 0.0627(14) Uani 1 1 d . U . . .
H87 H -0.097420 0.507483 0.065804 0.075 Uiso 1 1 calc R U . . .
C88 C 0.0029(3) 0.4425(3) 0.0839(2) 0.0517(11) Uani 1 1 d . U . . .
H88 H 0.010228 0.404777 0.057712 0.062 Uiso 1 1 calc R U . . .
C89 C 0.5940(2) 0.1376(2) 0.2299(2) 0.0388(8) Uani 1 1 d . U . . .
H89 H 0.565504 0.105083 0.261147 0.047 Uiso 1 1 calc R U . . .
C90 C 0.5816(4) 0.1399(3) 0.1636(3) 0.0599(12) Uani 1 1 d . U . . .
H90A H 0.611296 0.169498 0.131320 0.090 Uiso 1 1 calc R U . . .
H90B H 0.525039 0.160695 0.168404 0.090 Uiso 1 1 calc R U . . .
H90C H 0.600408 0.091099 0.148082 0.090 Uiso 1 1 calc R U . . .
C91 C 0.6812(3) 0.1072(3) 0.2247(3) 0.0628(14) Uani 1 1 d . U . . .
H91A H 0.699739 0.055972 0.216188 0.094 Uiso 1 1 calc R U . . .
H91B H 0.688143 0.113537 0.266246 0.094 Uiso 1 1 calc R U . . .
H91C H 0.711955 0.132574 0.188188 0.094 Uiso 1 1 calc R U . . .
C92 C 0.3776(2) 0.1950(2) 0.43648(19) 0.0380(8) Uani 1 1 d . U . . .
H92 H 0.433821 0.180996 0.406858 0.046 Uiso 1 1 calc R U . . .
C93 C 0.3759(4) 0.2165(3) 0.5006(3) 0.0718(17) Uani 1 1 d . U . . .
H93A H 0.394861 0.258569 0.492668 0.108 Uiso 1 1 calc R U . . .
H93B H 0.410194 0.176716 0.520268 0.108 Uiso 1 1 calc R U . . .
H93C H 0.321475 0.228343 0.531016 0.108 Uiso 1 1 calc R U . . .
C94 C 0.3471(4) 0.1315(3) 0.4472(3) 0.0703(17) Uani 1 1 d . U . . .
H94A H 0.352439 0.116062 0.404243 0.105 Uiso 1 1 calc R U . . .
H94B H 0.291081 0.145084 0.474143 0.105 Uiso 1 1 calc R U . . .
H94C H 0.377708 0.092064 0.470055 0.105 Uiso 1 1 calc R U . . .
C95 C 0.0680(2) 0.4295(2) 0.35179(17) 0.0356(7) Uani 1 1 d . U . . .
H95 H 0.060578 0.424460 0.400391 0.043 Uiso 1 1 calc R U . . .
C96 C 0.0207(2) 0.3875(3) 0.3386(2) 0.0531(11) Uani 1 1 d . U . . .
H96A H 0.028445 0.389948 0.290944 0.080 Uiso 1 1 calc R U . . .
H96B H -0.035719 0.408112 0.362415 0.080 Uiso 1 1 calc R U . . .
H96C H 0.038757 0.337206 0.353836 0.080 Uiso 1 1 calc R U . . .
C97 C 0.0406(3) 0.5093(2) 0.3330(2) 0.0520(11) Uani 1 1 d . U . . .
H97A H 0.042585 0.515603 0.286459 0.078 Uiso 1 1 calc R U . . .
H97B H 0.075532 0.532948 0.339540 0.078 Uiso 1 1 calc R U . . .
H97C H -0.013845 0.530613 0.361061 0.078 Uiso 1 1 calc R U . . .
C98 C 0.4415(3) 0.6076(3) 0.3582(3) 0.0506(10) Uani 1 1 d . U . . .
H98 H 0.442423 0.574296 0.398197 0.061 Uiso 1 1 calc R U . . .
C99 C 0.5261(3) 0.5998(3) 0.3172(3) 0.0646(14) Uani 1 1 d . U . . .
H99A H 0.554543 0.549107 0.308385 0.097 Uiso 1 1 calc R U . . .
H99B H 0.551463 0.617675 0.341225 0.097 Uiso 1 1 calc R U . . .
H99C H 0.527591 0.627679 0.275084 0.097 Uiso 1 1 calc R U . . .
C100 C 0.3962(4) 0.6808(3) 0.3819(3) 0.0663(14) Uani 1 1 d . U . . .
H10A H 0.392701 0.714756 0.343838 0.100 Uiso 1 1 calc R U . . .
H10B H 0.423306 0.694768 0.407078 0.100 Uiso 1 1 calc R U . . .
H10C H 0.342788 0.681459 0.410425 0.100 Uiso 1 1 calc R U . . .
C101 C 0.5659(3) 0.4805(2) 0.1141(2) 0.0571(13) Uani 1 1 d . U . . .
H101 H 0.603818 0.485065 0.135132 0.069 Uiso 1 1 calc R U . . .
C102 C 0.6180(6) 0.4581(4) 0.0484(3) 0.111(3) Uani 1 1 d . U . . .
H10D H 0.614255 0.489854 0.010858 0.133 Uiso 1 1 calc R U . . .
H10E H 0.655673 0.411694 0.042956 0.133 Uiso 1 1 calc R U . . .
C103 C 0.5106(5) 0.5496(3) 0.1206(4) 0.126(4) Uani 1 1 d . U . . .
H10F H 0.507813 0.580594 0.082479 0.151 Uiso 1 1 calc R U . . .
H10G H 0.476027 0.565301 0.163185 0.151 Uiso 1 1 calc R U . . .
C104 C 0.5297(3) 0.4081(2) 0.4310(2) 0.0465(9) Uani 1 1 d . U . . .
H104 H 0.526410 0.458937 0.414707 0.056 Uiso 1 1 calc R U . . .
C105 C 0.6096(3) 0.3726(4) 0.4415(3) 0.0687(15) Uani 1 1 d . U . . .
H10H H 0.651671 0.372022 0.399108 0.103 Uiso 1 1 calc R U . . .
H10I H 0.613123 0.323201 0.459189 0.103 Uiso 1 1 calc R U . . .
H10J H 0.615594 0.399498 0.472897 0.103 Uiso 1 1 calc R U . . .
C106 C 0.4626(3) 0.4089(3) 0.4955(3) 0.0669(15) Uani 1 1 d . U . . .
H10K H 0.411758 0.434682 0.487946 0.100 Uiso 1 1 calc R U . . .
H10L H 0.469182 0.433158 0.528642 0.100 Uiso 1 1 calc R U . . .
H10M H 0.463694 0.359515 0.511546 0.100 Uiso 1 1 calc R U . . .
C107 C 0.2040(3) 0.4468(4) 0.5598(2) 0.0752(19) Uani 1 1 d . U . . .
H10N H 0.255768 0.412181 0.558113 0.113 Uiso 1 1 calc R U . . .
H10O H 0.162288 0.431209 0.594711 0.113 Uiso 1 1 calc R U . . .
H10P H 0.202771 0.494143 0.569407 0.113 Uiso 1 1 calc R U . . .
C108 C 0.2125(3) 0.5630(2) 0.1800(2) 0.0493(10) Uani 1 1 d . U . . .
H108 H 0.190136 0.521740 0.190872 0.059 Uiso 1 1 calc R U . . .
C109 C 0.2545(4) 0.5649(4) 0.1071(3) 0.0739(16) Uani 1 1 d . U . . .
H10Q H 0.215997 0.575976 0.083011 0.111 Uiso 1 1 calc R U . . .
H10R H 0.293649 0.518052 0.094647 0.111 Uiso 1 1 calc R U . . .
H10S H 0.281476 0.601959 0.095761 0.111 Uiso 1 1 calc R U . . .
C110 C 0.1443(3) 0.6309(3) 0.2010(4) 0.0794(19) Uani 1 1 d . U . . .
H11A H 0.164161 0.672593 0.187727 0.119 Uiso 1 1 calc R U . . .
H11B H 0.120088 0.628568 0.249166 0.119 Uiso 1 1 calc R U . . .
H11C H 0.104665 0.635270 0.179517 0.119 Uiso 1 1 calc R U . . .
C114 C 0.6446(9) -0.0777(9) 0.1918(8) 0.176(6) Uani 1 1 d . U . . .
H21D H 0.675335 -0.055456 0.206219 0.265 Uiso 1 1 calc R U . . .
H21E H 0.660254 -0.129514 0.202510 0.265 Uiso 1 1 calc R U . . .
H21F H 0.588002 -0.056721 0.214703 0.265 Uiso 1 1 calc R U . . .
C111 C 0.4187(2) 0.2812(2) 0.10511(18) 0.0452(9) Uani 1 1 d . U . . .
H111 H 0.474175 0.265141 0.107077 0.054 Uiso 1 1 calc R U . . .
C112 C 0.3978(5) 0.2159(3) 0.0968(3) 0.082(2) Uani 1 1 d . U . . .
H11D H 0.343633 0.231020 0.094426 0.124 Uiso 1 1 calc R U . . .
H11E H 0.401438 0.181754 0.134623 0.124 Uiso 1 1 calc R U . . .
H11F H 0.434821 0.192936 0.055837 0.124 Uiso 1 1 calc R U . . .
C113 C 0.4139(3) 0.3349(3) 0.0481(2) 0.0659(15) Uani 1 1 d . U . . .
H11G H 0.444868 0.310935 0.006375 0.099 Uiso 1 1 calc R U . . .
H11H H 0.435275 0.372730 0.051245 0.099 Uiso 1 1 calc R U . . .
H11I H 0.358464 0.356241 0.049380 0.099 Uiso 1 1 calc R U . . .
C1_1 C 0.0055(4) 1.0318(4) 0.7518(4) 0.0891(18) Uani 1 1 d D U . . .
F1_1 F -0.0268(5) 1.0539(5) 0.8149(4) 0.216(4) Uani 1 1 d D U . . .
F2_1 F -0.0246(4) 1.0947(3) 0.7259(5) 0.198(3) Uani 1 1 d D U . . .
F3_1 F 0.0788(3) 1.0177(3) 0.7358(4) 0.176(3) Uani 1 1 d D U . . .
S1_1 S -0.03123(9) 0.96728(10) 0.74234(11) 0.0886(6) Uani 1 1 d D U . . .
O1_1 O 0.0049(4) 0.9050(4) 0.7763(6) 0.220(4) Uani 1 1 d D U . . .
O2_1 O -0.1140(2) 0.9903(3) 0.7676(3) 0.0966(16) Uani 1 1 d D U . . .
O3_1 O 0.0083(5) 0.9465(6) 0.6787(4) 0.205(4) Uani 1 1 d D U . . .
C1_2 C 0.2954(5) 0.3003(4) 0.7102(4) 0.096(2) Uani 1 1 d D U . . .
F1_2 F 0.2918(4) 0.3567(4) 0.7369(4) 0.161(2) Uani 1 1 d D U . . .
F2_2 F 0.3224(4) 0.3070(5) 0.6467(3) 0.182(3) Uani 1 1 d D U . . .
F3_2 F 0.3401(4) 0.2484(4) 0.7359(4) 0.168(3) Uani 1 1 d D U . . .
S1_2 S 0.19815(19) 0.29036(16) 0.73370(18) 0.1358(10) Uani 1 1 d D U . . .
O1_2 O 0.1791(5) 0.2800(5) 0.8072(4) 0.157(3) Uani 1 1 d D U . . .
O2_2 O 0.1568(4) 0.3552(4) 0.7083(3) 0.141(3) Uani 1 1 d D U . . .
O3_2 O 0.2099(4) 0.2229(4) 0.7101(5) 0.174(4) Uani 1 1 d D U . . .


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 S2 2.4763(11) . ?
Ag1 S5 2.4915(10) . ?
Ag1 S3 2.5163(9) . ?
Ag1 Ag4 3.0568(4) . ?
Ag1 Ag3 3.1272(4) . ?
Ag1 Ag11 3.2711(5) . ?
Ag2 P2 2.3755(9) . ?
Ag2 S2 2.4959(10) . ?
Ag2 S1 2.5267(10) . ?
Ag2 Ag10 3.1169(4) . ?
Ag3 S9 2.4708(9) . ?
Ag3 S6 2.5055(9) . ?
Ag3 S2 2.5212(10) . ?
Ag3 Ag10 3.0465(4) . ?
Ag3 Ag5 3.1966(4) . ?
Ag4 S1 2.4888(9) . ?
Ag4 S3 2.5034(9) . ?
Ag4 S8 2.5532(9) . ?
Ag4 Ag5 2.9909(4) . ?
Ag5 S8 2.4776(9) . ?
Ag5 S7 2.5032(9) . ?
Ag5 S9 2.5138(9) . ?
Ag5 Ag11 3.0855(4) . ?
Ag6 P4 2.3963(9) . ?
Ag6 S8 2.5009(9) . ?
Ag6 S4 2.5367(10) . ?
Ag7 P3 2.4236(10) . ?
Ag7 S3 2.5094(9) . ?
Ag7 S4 2.5520(10) . ?
O7 C114 1.338(18) . ?
Ag9 P6 2.4045(9) . ?
Ag9 S5 2.4965(9) . ?
Ag9 S6 2.5329(9) . ?
Ag10 P1 2.3920(9) . ?
Ag10 S9 2.5070(9) . ?
Ag10 S1 2.5694(9) . ?
Ag11 S5 2.4647(9) . ?
Ag11 S4 2.5283(9) . ?
Ag11 S7 2.5290(9) . ?
Ag11 Ag8 3.2755(4) . ?
S1 C98 1.852(4) . ?
S2 C108 1.823(4) . ?
S3 C101 1.845(4) . ?
S4 C89 1.845(4) . ?
S5 C111 1.842(4) . ?
S6 C95 1.835(3) . ?
S6 Ag8 2.5259(8) . ?
S7 C92 1.846(4) . ?
S7 Ag8 2.5109(9) . ?
S8 C104 1.840(4) . ?
Ag8 P5 2.3979(9) . ?
S9 C3 1.846(4) . ?
P1 C27 1.817(4) . ?
P1 C21 1.826(4) . ?
P1 C20 1.837(4) . ?
P2 C5 1.817(4) . ?
P2 C11 1.821(4) . ?
P2 C17 1.834(4) . ?
P3 C33 1.821(4) . ?
P3 C39 1.819(4) . ?
P3 C45 1.830(4) . ?
P4 C55 1.819(4) . ?
P4 C49 1.822(4) . ?
P4 C48 1.836(4) . ?
P5 C67 1.819(4) . ?
P5 C73 1.824(4) . ?
P5 C61 1.825(4) . ?
P6 C83 1.817(4) . ?
P6 C77 1.822(4) . ?
P6 C76 1.834(4) . ?
C2 C3 1.501(6) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C107 1.510(7) . ?
C3 H3 1.0000 . ?
C5 C10 1.368(8) . ?
C5 C6 1.383(6) . ?
C6 C7 1.394(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.355(10) . ?
C7 H7 0.9500 . ?
C8 C9 1.386(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(8) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.377(7) . ?
C11 C16 1.396(6) . ?
C12 C13 1.386(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.352(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.410(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(7) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.528(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.539(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.516(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.387(6) . ?
C21 C26 1.398(5) . ?
C22 C23 1.394(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.367(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.360(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(6) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.389(5) . ?
C27 C32 1.404(5) . ?
C28 C29 1.391(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.377(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.391(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.391(6) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C38 1.385(7) . ?
C33 C34 1.403(8) . ?
C34 C35 1.384(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(11) . ?
C35 H35 0.9500 . ?
C36 C37 1.336(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(7) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.378(6) . ?
C39 C40 1.388(5) . ?
C40 C41 1.390(7) . ?
C40 H40 0.9500 . ?
C41 C42 1.357(7) . ?
C41 H41 0.9500 . ?
C42 C43 1.370(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.385(8) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.523(5) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.527(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.531(6) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C54 1.379(6) . ?
C49 C50 1.393(5) . ?
C50 C51 1.391(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.377(8) . ?
C51 H51 0.9500 . ?
C52 C53 1.363(8) . ?
C52 H52 0.9500 . ?
C53 C54 1.386(7) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.381(6) . ?
C55 C60 1.393(6) . ?
C56 C57 1.388(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.366(9) . ?
C57 H57 0.9500 . ?
C58 C59 1.385(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.392(7) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C62 1.378(6) . ?
C61 C66 1.397(6) . ?
C62 C63 1.397(6) . ?
C62 H62 0.9500 . ?
C63 C64 1.377(8) . ?
C63 H63 0.9500 . ?
C64 C65 1.365(8) . ?
C64 H64 0.9500 . ?
C65 C66 1.389(6) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C72 1.395(6) . ?
C67 C68 1.393(6) . ?
C68 C69 1.379(7) . ?
C68 H68 0.9500 . ?
C69 C70 1.397(8) . ?
C69 H69 0.9500 . ?
C70 C71 1.366(8) . ?
C70 H70 0.9500 . ?
C71 C72 1.394(6) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C73 C74 1.524(5) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.530(5) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.530(6) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.392(7) . ?
C77 C82 1.394(7) . ?
C78 C79 1.390(7) . ?
C78 H78 0.9500 . ?
C79 C80 1.345(10) . ?
C79 H79 0.9500 . ?
C80 C81 1.388(10) . ?
C80 H80 0.9500 . ?
C81 C82 1.390(7) . ?
C82 H82 0.9500 . ?
C83 C84 1.391(6) . ?
C83 C88 1.395(5) . ?
C84 C85 1.382(6) . ?
C84 H84 0.9500 . ?
C85 C86 1.378(8) . ?
C85 H85 0.9500 . ?
C86 C87 1.365(9) . ?
C86 H86 0.9500 . ?
C87 C88 1.378(7) . ?
C87 H87 0.9500 . ?
C88 H88 0.9500 . ?
C89 C90 1.515(6) . ?
C89 C91 1.520(6) . ?
C89 H89 1.0000 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C93 1.494(7) . ?
C92 C94 1.503(6) . ?
C92 H92 1.0000 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 C96 1.519(6) . ?
C95 C97 1.523(6) . ?
C95 H95 1.0000 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 C100 1.482(7) . ?
C98 C99 1.502(7) . ?
C98 H98 1.0000 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C103 1.409(8) . ?
C101 C102 1.453(8) . ?
C101 H101 1.0000 . ?
C102 H10D 0.9500 . ?
C102 H10E 0.9500 . ?
C103 H10F 0.9500 . ?
C103 H10G 0.9500 . ?
C104 C105 1.513(7) . ?
C104 C106 1.521(7) . ?
C104 H104 1.0000 . ?
C105 H10H 0.9800 . ?
C105 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C106 H10K 0.9800 . ?
C106 H10L 0.9800 . ?
C106 H10M 0.9800 . ?
C107 H10N 0.9800 . ?
C107 H10O 0.9800 . ?
C107 H10P 0.9800 . ?
C108 C109 1.496(8) . ?
C108 C110 1.515(7) . ?
C108 H108 1.0000 . ?
C109 H10Q 0.9800 . ?
C109 H10R 0.9800 . ?
C109 H10S 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C114 H21D 0.9800 . ?
C114 H21E 0.9800 . ?
C114 H21F 0.9800 . ?
C111 C113 1.498(6) . ?
C111 C112 1.522(8) . ?
C111 H111 1.0000 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C113 H11G 0.9800 . ?
C113 H11H 0.9800 . ?
C113 H11I 0.9800 . ?
C1_1 F3_1 1.245(7) . ?
C1_1 F2_1 1.307(8) . ?
C1_1 F1_1 1.359(8) . ?
C1_1 S1_1 1.707(7) . ?
S1_1 O3_1 1.368(7) . ?
S1_1 O2_1 1.398(4) . ?
S1_1 O1_1 1.421(7) . ?
C1_2 F2_2 1.288(8) . ?
C1_2 F3_2 1.278(8) . ?
C1_2 F1_2 1.304(8) . ?
C1_2 S1_2 1.795(9) . ?
S1_2 O2_2 1.399(6) . ?
S1_2 O3_2 1.422(6) . ?
S1_2 O1_2 1.494(7) . ?

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
S2 Ag1 S5 122.72(3) . . ?
S2 Ag1 S3 125.30(3) . . ?
S5 Ag1 S3 111.97(3) . . ?
S2 Ag1 Ag4 90.49(3) . . ?
S5 Ag1 Ag4 129.31(2) . . ?
S3 Ag1 Ag4 52.29(2) . . ?
S2 Ag1 Ag3 51.91(2) . . ?
S5 Ag1 Ag3 91.87(2) . . ?
S3 Ag1 Ag3 131.40(2) . . ?
Ag4 Ag1 Ag3 79.607(11) . . ?
S2 Ag1 Ag11 128.96(3) . . ?
S5 Ag1 Ag11 48.35(2) . . ?
S3 Ag1 Ag11 87.95(2) . . ?
Ag4 Ag1 Ag11 81.227(11) . . ?
Ag3 Ag1 Ag11 77.099(11) . . ?
P2 Ag2 S2 134.91(4) . . ?
P2 Ag2 S1 138.08(3) . . ?
S2 Ag2 S1 86.56(3) . . ?
P2 Ag2 Ag10 133.42(3) . . ?
S2 Ag2 Ag10 72.61(3) . . ?
S1 Ag2 Ag10 52.92(2) . . ?
S9 Ag3 S6 129.09(3) . . ?
S9 Ag3 S2 120.72(3) . . ?
S6 Ag3 S2 109.76(3) . . ?
S9 Ag3 Ag10 52.81(2) . . ?
S6 Ag3 Ag10 149.91(2) . . ?
S2 Ag3 Ag10 73.58(2) . . ?
S9 Ag3 Ag1 122.12(2) . . ?
S6 Ag3 Ag1 94.04(2) . . ?
S2 Ag3 Ag1 50.62(3) . . ?
Ag10 Ag3 Ag1 109.001(12) . . ?
S9 Ag3 Ag5 50.71(2) . . ?
S6 Ag3 Ag5 109.72(2) . . ?
S2 Ag3 Ag5 119.08(3) . . ?
Ag10 Ag3 Ag5 92.771(11) . . ?
Ag1 Ag3 Ag5 82.263(11) . . ?
S1 Ag4 S3 126.06(3) . . ?
S1 Ag4 S8 119.43(3) . . ?
S3 Ag4 S8 113.85(3) . . ?
S1 Ag4 Ag5 100.31(2) . . ?
S3 Ag4 Ag5 118.78(2) . . ?
S8 Ag4 Ag5 52.36(2) . . ?
S1 Ag4 Ag1 98.16(2) . . ?
S3 Ag4 Ag1 52.68(2) . . ?
S8 Ag4 Ag1 126.71(2) . . ?
Ag5 Ag4 Ag1 86.916(12) . . ?
S8 Ag5 S7 130.77(3) . . ?
S8 Ag5 S9 122.18(3) . . ?
S7 Ag5 S9 105.99(3) . . ?
S8 Ag5 Ag4 54.70(2) . . ?
S7 Ag5 Ag4 137.27(2) . . ?
S9 Ag5 Ag4 92.96(2) . . ?
S8 Ag5 Ag11 99.14(2) . . ?
S7 Ag5 Ag11 52.56(2) . . ?
S9 Ag5 Ag11 127.43(2) . . ?
Ag4 Ag5 Ag11 85.426(11) . . ?
S8 Ag5 Ag3 134.02(2) . . ?
S7 Ag5 Ag3 84.39(2) . . ?
S9 Ag5 Ag3 49.52(2) . . ?
Ag4 Ag5 Ag3 79.487(10) . . ?
Ag11 Ag5 Ag3 78.815(10) . . ?
P4 Ag6 S8 140.51(3) . . ?
P4 Ag6 S4 129.05(3) . . ?
S8 Ag6 S4 88.11(3) . . ?
P3 Ag7 S3 132.96(3) . . ?
P3 Ag7 S4 129.42(3) . . ?
S3 Ag7 S4 97.57(3) . . ?
P6 Ag9 S5 132.54(3) . . ?
P6 Ag9 S6 139.55(3) . . ?
S5 Ag9 S6 87.70(3) . . ?
P1 Ag10 S9 132.24(3) . . ?
P1 Ag10 S1 134.20(3) . . ?
S9 Ag10 S1 89.90(3) . . ?
P1 Ag10 Ag3 128.98(3) . . ?
S9 Ag10 Ag3 51.73(2) . . ?
S1 Ag10 Ag3 88.74(2) . . ?
P1 Ag10 Ag2 97.59(2) . . ?
S9 Ag10 Ag2 128.65(2) . . ?
S1 Ag10 Ag2 51.67(2) . . ?
Ag3 Ag10 Ag2 90.142(11) . . ?
S5 Ag11 S4 123.92(3) . . ?
S5 Ag11 S7 123.99(3) . . ?
S4 Ag11 S7 112.07(3) . . ?
S5 Ag11 Ag5 123.74(2) . . ?
S4 Ag11 Ag5 89.00(2) . . ?
S7 Ag11 Ag5 51.80(2) . . ?
S5 Ag11 Ag1 49.05(2) . . ?
S4 Ag11 Ag1 104.33(2) . . ?
S7 Ag11 Ag1 117.97(2) . . ?
Ag5 Ag11 Ag1 81.698(11) . . ?
S5 Ag11 Ag8 79.60(2) . . ?
S4 Ag11 Ag8 149.62(2) . . ?
S7 Ag11 Ag8 49.23(2) . . ?
Ag5 Ag11 Ag8 92.387(10) . . ?
Ag1 Ag11 Ag8 105.892(11) . . ?
C98 S1 Ag4 107.43(15) . . ?
C98 S1 Ag2 126.08(16) . . ?
Ag4 S1 Ag2 116.66(4) . . ?
C98 S1 Ag10 108.40(16) . . ?
Ag4 S1 Ag10 119.78(4) . . ?
Ag2 S1 Ag10 75.41(3) . . ?
C108 S2 Ag1 107.92(16) . . ?
C108 S2 Ag2 115.34(14) . . ?
Ag1 S2 Ag2 119.74(4) . . ?
C108 S2 Ag3 109.55(15) . . ?
Ag1 S2 Ag3 77.47(3) . . ?
Ag2 S2 Ag3 120.87(4) . . ?
C101 S3 Ag4 103.44(17) . . ?
C101 S3 Ag7 114.69(17) . . ?
Ag4 S3 Ag7 89.13(3) . . ?
C101 S3 Ag1 112.60(17) . . ?
Ag4 S3 Ag1 75.03(2) . . ?
Ag7 S3 Ag1 132.41(4) . . ?
C89 S4 Ag11 110.68(13) . . ?
C89 S4 Ag6 112.20(13) . . ?
Ag11 S4 Ag6 109.67(4) . . ?
C89 S4 Ag7 110.78(14) . . ?
Ag11 S4 Ag7 117.24(3) . . ?
Ag6 S4 Ag7 95.45(3) . . ?
C111 S5 Ag11 112.89(13) . . ?
C111 S5 Ag1 107.56(16) . . ?
Ag11 S5 Ag1 82.60(3) . . ?
C111 S5 Ag9 112.99(14) . . ?
Ag11 S5 Ag9 127.00(4) . . ?
Ag1 S5 Ag9 107.13(3) . . ?
C95 S6 Ag3 108.17(13) . . ?
C95 S6 Ag8 111.92(13) . . ?
Ag3 S6 Ag8 112.30(3) . . ?
C95 S6 Ag9 115.77(12) . . ?
Ag3 S6 Ag9 115.36(3) . . ?
Ag8 S6 Ag9 92.71(3) . . ?
C92 S7 Ag5 104.67(13) . . ?
C92 S7 Ag8 120.99(13) . . ?
Ag5 S7 Ag8 132.67(3) . . ?
C92 S7 Ag11 104.77(13) . . ?
Ag5 S7 Ag11 75.63(2) . . ?
Ag8 S7 Ag11 81.07(3) . . ?
C104 S8 Ag5 109.08(16) . . ?
C104 S8 Ag6 115.84(14) . . ?
Ag5 S8 Ag6 95.27(3) . . ?
C104 S8 Ag4 111.07(14) . . ?
Ag5 S8 Ag4 72.94(2) . . ?
Ag6 S8 Ag4 132.88(4) . . ?
P5 Ag8 S7 131.14(3) . . ?
P5 Ag8 S6 130.34(3) . . ?
S7 Ag8 S6 98.51(3) . . ?
P5 Ag8 Ag11 121.19(3) . . ?
S7 Ag8 Ag11 49.71(2) . . ?
S6 Ag8 Ag11 87.59(2) . . ?
C3 S9 Ag3 101.65(14) . . ?
C3 S9 Ag10 121.37(13) . . ?
Ag3 S9 Ag10 75.47(3) . . ?
C3 S9 Ag5 107.46(13) . . ?
Ag3 S9 Ag5 79.77(3) . . ?
Ag10 S9 Ag5 128.44(4) . . ?
C27 P1 C21 102.75(16) . . ?
C27 P1 C20 105.96(17) . . ?
C21 P1 C20 103.38(17) . . ?
C27 P1 Ag10 109.97(11) . . ?
C21 P1 Ag10 118.30(11) . . ?
C20 P1 Ag10 115.14(12) . . ?
C5 P2 C11 104.5(2) . . ?
C5 P2 C17 104.87(19) . . ?
C11 P2 C17 104.39(18) . . ?
C5 P2 Ag2 111.12(14) . . ?
C11 P2 Ag2 111.01(14) . . ?
C17 P2 Ag2 119.70(12) . . ?
C33 P3 C39 101.07(19) . . ?
C33 P3 C45 104.6(2) . . ?
C39 P3 C45 103.24(18) . . ?
C33 P3 Ag7 121.20(14) . . ?
C39 P3 Ag7 112.87(12) . . ?
C45 P3 Ag7 111.91(12) . . ?
C55 P4 C49 104.48(17) . . ?
C55 P4 C48 105.85(19) . . ?
C49 P4 C48 101.90(18) . . ?
C55 P4 Ag6 111.14(12) . . ?
C49 P4 Ag6 119.77(12) . . ?
C48 P4 Ag6 112.44(12) . . ?
C67 P5 C73 104.04(18) . . ?
C67 P5 C61 106.18(16) . . ?
C73 P5 C61 103.66(17) . . ?
C67 P5 Ag8 111.06(12) . . ?
C73 P5 Ag8 113.59(12) . . ?
C61 P5 Ag8 117.17(13) . . ?
C83 P6 C77 100.90(17) . . ?
C83 P6 C76 106.0(2) . . ?
C77 P6 C76 104.2(2) . . ?
C83 P6 Ag9 111.53(13) . . ?
C77 P6 Ag9 116.94(13) . . ?
C76 P6 Ag9 115.73(13) . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C2 C3 C107 112.7(4) . . ?
C2 C3 S9 111.7(3) . . ?
C107 C3 S9 107.9(3) . . ?
C2 C3 H3 108.2 . . ?
C107 C3 H3 108.2 . . ?
S9 C3 H3 108.2 . . ?
C10 C5 C6 118.5(5) . . ?
C10 C5 P2 122.7(4) . . ?
C6 C5 P2 118.4(4) . . ?
C5 C6 C7 121.4(5) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C8 C7 C6 118.9(5) . . ?
C8 C7 H7 120.6 . . ?
C6 C7 H7 120.6 . . ?
C7 C8 C9 120.9(6) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C8 C9 C10 119.2(7) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
C5 C10 C9 120.8(6) . . ?
C5 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C12 C11 C16 119.4(4) . . ?
C12 C11 P2 118.8(3) . . ?
C16 C11 P2 121.7(4) . . ?
C11 C12 C13 120.6(6) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C12 120.5(7) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 120.3(5) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 119.2(5) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
C15 C16 C11 120.0(5) . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
C18 C17 P2 114.9(3) . . ?
C18 C17 H17A 108.5 . . ?
P2 C17 H17A 108.5 . . ?
C18 C17 H17B 108.5 . . ?
P2 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C17 C18 C19 115.3(3) . . ?
C17 C18 H18A 108.5 . . ?
C19 C18 H18A 108.5 . . ?
C17 C18 H18B 108.5 . . ?
C19 C18 H18B 108.5 . . ?
H18A C18 H18B 107.5 . . ?
C20 C19 C18 113.6(3) . . ?
C20 C19 H19A 108.9 . . ?
C18 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
C18 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C19 C20 P1 112.5(2) . . ?
C19 C20 H20A 109.1 . . ?
P1 C20 H20A 109.1 . . ?
C19 C20 H20B 109.1 . . ?
P1 C20 H20B 109.1 . . ?
H20A C20 H20B 107.8 . . ?
C22 C21 C26 118.4(4) . . ?
C22 C21 P1 121.3(3) . . ?
C26 C21 P1 120.3(3) . . ?
C21 C22 C23 119.8(5) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 121.5(5) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C25 C24 C23 118.8(5) . . ?
C25 C24 H24 120.6 . . ?
C23 C24 H24 120.6 . . ?
C24 C25 C26 121.5(4) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C25 C26 C21 120.0(4) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
C28 C27 C32 119.0(3) . . ?
C28 C27 P1 119.7(3) . . ?
C32 C27 P1 121.2(3) . . ?
C27 C28 C29 120.6(4) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C30 C29 C28 120.4(4) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 119.8(4) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C30 C31 C32 120.3(4) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C31 C32 C27 120.0(4) . . ?
C31 C32 H32 120.0 . . ?
C27 C32 H32 120.0 . . ?
C38 C33 C34 118.3(5) . . ?
C38 C33 P3 119.0(4) . . ?
C34 C33 P3 122.5(4) . . ?
C35 C34 C33 118.8(7) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
C34 C35 C36 121.1(7) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C37 C36 C35 120.0(6) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C38 120.5(6) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C37 C38 C33 121.2(6) . . ?
C37 C38 H38 119.4 . . ?
C33 C38 H38 119.4 . . ?
C44 C39 C40 118.2(4) . . ?
C44 C39 P3 121.1(3) . . ?
C40 C39 P3 120.7(3) . . ?
C39 C40 C41 121.2(4) . . ?
C39 C40 H40 119.4 . . ?
C41 C40 H40 119.4 . . ?
C42 C41 C40 120.2(4) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C41 C42 C43 118.8(5) . . ?
C41 C42 H42 120.6 . . ?
C43 C42 H42 120.6 . . ?
C42 C43 C44 122.1(5) . . ?
C42 C43 H43 119.0 . . ?
C44 C43 H43 119.0 . . ?
C39 C44 C43 119.6(4) . . ?
C39 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C46 C45 P3 111.0(3) . . ?
C46 C45 H45A 109.4 . . ?
P3 C45 H45A 109.4 . . ?
C46 C45 H45B 109.4 . . ?
P3 C45 H45B 109.4 . . ?
H45A C45 H45B 108.0 . . ?
C47 C46 C45 111.9(3) . . ?
C47 C46 H46A 109.2 . . ?
C45 C46 H46A 109.2 . . ?
C47 C46 H46B 109.2 . . ?
C45 C46 H46B 109.2 . . ?
H46A C46 H46B 107.9 . . ?
C46 C47 C48 113.5(3) . . ?
C46 C47 H47A 108.9 . . ?
C48 C47 H47A 108.9 . . ?
C46 C47 H47B 108.9 . . ?
C48 C47 H47B 108.9 . . ?
H47A C47 H47B 107.7 . . ?
C47 C48 P4 115.6(3) . . ?
C47 C48 H48A 108.4 . . ?
P4 C48 H48A 108.4 . . ?
C47 C48 H48B 108.4 . . ?
P4 C48 H48B 108.4 . . ?
H48A C48 H48B 107.4 . . ?
C54 C49 C50 118.5(4) . . ?
C54 C49 P4 120.2(3) . . ?
C50 C49 P4 121.2(3) . . ?
C51 C50 C49 120.4(4) . . ?
C51 C50 H50 119.8 . . ?
C49 C50 H50 119.8 . . ?
C52 C51 C50 120.0(5) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C53 C52 C51 119.6(5) . . ?
C53 C52 H52 120.2 . . ?
C51 C52 H52 120.2 . . ?
C52 C53 C54 121.0(5) . . ?
C52 C53 H53 119.5 . . ?
C54 C53 H53 119.5 . . ?
C49 C54 C53 120.4(4) . . ?
C49 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C56 C55 C60 118.7(4) . . ?
C56 C55 P4 124.6(3) . . ?
C60 C55 P4 116.6(3) . . ?
C55 C56 C57 121.1(5) . . ?
C55 C56 H56 119.4 . . ?
C57 C56 H56 119.4 . . ?
C58 C57 C56 119.8(5) . . ?
C58 C57 H57 120.1 . . ?
C56 C57 H57 120.1 . . ?
C57 C58 C59 120.3(5) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C58 C59 C60 119.9(5) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C59 C60 C55 120.1(5) . . ?
C59 C60 H60 119.9 . . ?
C55 C60 H60 119.9 . . ?
C62 C61 C66 118.9(4) . . ?
C62 C61 P5 119.0(3) . . ?
C66 C61 P5 122.1(3) . . ?
C61 C62 C63 120.6(4) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 H62 119.7 . . ?
C64 C63 C62 119.8(5) . . ?
C64 C63 H63 120.1 . . ?
C62 C63 H63 120.1 . . ?
C65 C64 C63 120.1(4) . . ?
C65 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C65 C66 120.7(5) . . ?
C64 C65 H65 119.6 . . ?
C66 C65 H65 119.6 . . ?
C65 C66 C61 119.9(5) . . ?
C65 C66 H66 120.0 . . ?
C61 C66 H66 120.0 . . ?
C72 C67 C68 118.9(4) . . ?
C72 C67 P5 122.9(3) . . ?
C68 C67 P5 118.1(3) . . ?
C69 C68 C67 121.1(4) . . ?
C69 C68 H68 119.5 . . ?
C67 C68 H68 119.5 . . ?
C68 C69 C70 119.4(5) . . ?
C68 C69 H69 120.3 . . ?
C70 C69 H69 120.3 . . ?
C71 C70 C69 120.1(5) . . ?
C71 C70 H70 120.0 . . ?
C69 C70 H70 120.0 . . ?
C70 C71 C72 120.8(5) . . ?
C70 C71 H71 119.6 . . ?
C72 C71 H71 119.6 . . ?
C67 C72 C71 119.7(4) . . ?
C67 C72 H72 120.2 . . ?
C71 C72 H72 120.2 . . ?
C74 C73 P5 111.0(3) . . ?
C74 C73 H73A 109.4 . . ?
P5 C73 H73A 109.4 . . ?
C74 C73 H73B 109.4 . . ?
P5 C73 H73B 109.4 . . ?
H73A C73 H73B 108.0 . . ?
C73 C74 C75 114.0(3) . . ?
C73 C74 H74A 108.8 . . ?
C75 C74 H74A 108.8 . . ?
C73 C74 H74B 108.8 . . ?
C75 C74 H74B 108.8 . . ?
H74A C74 H74B 107.7 . . ?
C76 C75 C74 111.5(3) . . ?
C76 C75 H75A 109.3 . . ?
C74 C75 H75A 109.3 . . ?
C76 C75 H75B 109.3 . . ?
C74 C75 H75B 109.3 . . ?
H75A C75 H75B 108.0 . . ?
C75 C76 P6 114.2(3) . . ?
C75 C76 H76A 108.7 . . ?
P6 C76 H76A 108.7 . . ?
C75 C76 H76B 108.7 . . ?
P6 C76 H76B 108.7 . . ?
H76A C76 H76B 107.6 . . ?
C78 C77 C82 118.3(4) . . ?
C78 C77 P6 117.2(4) . . ?
C82 C77 P6 124.5(4) . . ?
C79 C78 C77 119.8(5) . . ?
C79 C78 H78 120.1 . . ?
C77 C78 H78 120.1 . . ?
C80 C79 C78 121.5(6) . . ?
C80 C79 H79 119.2 . . ?
C78 C79 H79 119.2 . . ?
C79 C80 C81 120.0(5) . . ?
C79 C80 H80 120.0 . . ?
C81 C80 H80 120.0 . . ?
C80 C81 C82 119.4(6) . . ?
C81 C82 C77 120.8(6) . . ?
C81 C82 H82 119.6 . . ?
C77 C82 H82 119.6 . . ?
C84 C83 C88 117.9(4) . . ?
C84 C83 P6 118.9(3) . . ?
C88 C83 P6 123.1(3) . . ?
C85 C84 C83 121.5(4) . . ?
C85 C84 H84 119.3 . . ?
C83 C84 H84 119.3 . . ?
C86 C85 C84 119.0(5) . . ?
C86 C85 H85 120.5 . . ?
C84 C85 H85 120.5 . . ?
C87 C86 C85 120.8(5) . . ?
C87 C86 H86 119.6 . . ?
C85 C86 H86 119.6 . . ?
C86 C87 C88 120.3(5) . . ?
C86 C87 H87 119.9 . . ?
C88 C87 H87 119.9 . . ?
C87 C88 C83 120.5(5) . . ?
C87 C88 H88 119.7 . . ?
C83 C88 H88 119.7 . . ?
C90 C89 C91 111.5(4) . . ?
C90 C89 S4 110.6(3) . . ?
C91 C89 S4 110.9(3) . . ?
C90 C89 H89 107.9 . . ?
C91 C89 H89 107.9 . . ?
S4 C89 H89 107.9 . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C89 C91 H91A 109.5 . . ?
C89 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C89 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C93 C92 C94 110.8(4) . . ?
C93 C92 S7 108.5(3) . . ?
C94 C92 S7 112.3(3) . . ?
C93 C92 H92 108.4 . . ?
C94 C92 H92 108.4 . . ?
S7 C92 H92 108.4 . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C92 C94 H94A 109.5 . . ?
C92 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C92 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C96 C95 C97 113.1(4) . . ?
C96 C95 S6 110.1(3) . . ?
C97 C95 S6 110.3(3) . . ?
C96 C95 H95 107.7 . . ?
C97 C95 H95 107.7 . . ?
S6 C95 H95 107.7 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C95 C97 H97A 109.5 . . ?
C95 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C95 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C100 C98 C99 113.6(5) . . ?
C100 C98 S1 112.1(3) . . ?
C99 C98 S1 109.0(3) . . ?
C100 C98 H98 107.3 . . ?
C99 C98 H98 107.3 . . ?
S1 C98 H98 107.3 . . ?
C98 C99 H99A 109.5 . . ?
C98 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C98 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C98 C100 H10A 109.5 . . ?
C98 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C98 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C103 C101 C102 118.7(5) . . ?
C103 C101 S3 117.0(4) . . ?
C102 C101 S3 111.7(4) . . ?
C103 C101 H101 102.0 . . ?
C102 C101 H101 102.0 . . ?
S3 C101 H101 102.0 . . ?
C101 C102 H10D 120.0 . . ?
C101 C102 H10E 120.0 . . ?
H10D C102 H10E 120.0 . . ?
C101 C103 H10F 120.0 . . ?
C101 C103 H10G 120.0 . . ?
H10F C103 H10G 120.0 . . ?
C105 C104 C106 111.0(4) . . ?
C105 C104 S8 108.9(3) . . ?
C106 C104 S8 112.3(3) . . ?
C105 C104 H104 108.2 . . ?
C106 C104 H104 108.2 . . ?
S8 C104 H104 108.2 . . ?
C104 C105 H10H 109.5 . . ?
C104 C105 H10I 109.5 . . ?
H10H C105 H10I 109.5 . . ?
C104 C105 H10J 109.5 . . ?
H10H C105 H10J 109.5 . . ?
H10I C105 H10J 109.5 . . ?
C104 C106 H10K 109.5 . . ?
C104 C106 H10L 109.5 . . ?
H10K C106 H10L 109.5 . . ?
C104 C106 H10M 109.5 . . ?
H10K C106 H10M 109.5 . . ?
H10L C106 H10M 109.5 . . ?
C3 C107 H10N 109.5 . . ?
C3 C107 H10O 109.5 . . ?
H10N C107 H10O 109.5 . . ?
C3 C107 H10P 109.5 . . ?
H10N C107 H10P 109.5 . . ?
H10O C107 H10P 109.5 . . ?
C109 C108 C110 112.0(5) . . ?
C109 C108 S2 110.0(4) . . ?
C110 C108 S2 111.2(4) . . ?
C109 C108 H108 107.8 . . ?
C110 C108 H108 107.8 . . ?
S2 C108 H108 107.8 . . ?
C108 C109 H10Q 109.5 . . ?
C108 C109 H10R 109.5 . . ?
H10Q C109 H10R 109.5 . . ?
C108 C109 H10S 109.5 . . ?
H10Q C109 H10S 109.5 . . ?
H10R C109 H10S 109.5 . . ?
C108 C110 H11A 109.5 . . ?
C108 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C108 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O7 C114 H21D 109.5 . . ?
O7 C114 H21E 109.5 . . ?
H21D C114 H21E 109.5 . . ?
O7 C114 H21F 109.5 . . ?
H21D C114 H21F 109.5 . . ?
H21E C114 H21F 109.5 . . ?
C113 C111 C112 111.2(5) . . ?
C113 C111 S5 110.9(3) . . ?
C112 C111 S5 108.7(3) . . ?
C113 C111 H111 108.6 . . ?
C112 C111 H111 108.6 . . ?
S5 C111 H111 108.6 . . ?
C111 C112 H11D 109.5 . . ?
C111 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C111 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C111 C113 H11G 109.5 . . ?
C111 C113 H11H 109.5 . . ?
H11G C113 H11H 109.5 . . ?
C111 C113 H11I 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
F3_1 C1_1 F2_1 109.9(7) . . ?
F3_1 C1_1 F1_1 108.5(7) . . ?
F2_1 C1_1 F1_1 94.0(7) . . ?
F3_1 C1_1 S1_1 117.8(5) . . ?
F2_1 C1_1 S1_1 113.3(6) . . ?
F1_1 C1_1 S1_1 110.7(6) . . ?
O3_1 S1_1 O2_1 122.4(5) . . ?
O3_1 S1_1 O1_1 99.0(7) . . ?
O2_1 S1_1 O1_1 113.7(4) . . ?
O3_1 S1_1 C1_1 105.6(5) . . ?
O2_1 S1_1 C1_1 109.7(3) . . ?
O1_1 S1_1 C1_1 104.8(5) . . ?
F2_2 C1_2 F3_2 113.9(8) . . ?
F2_2 C1_2 F1_2 110.2(8) . . ?
F3_2 C1_2 F1_2 103.7(7) . . ?
F2_2 C1_2 S1_2 109.2(6) . . ?
F3_2 C1_2 S1_2 110.1(6) . . ?
F1_2 C1_2 S1_2 109.6(6) . . ?
O2_2 S1_2 O3_2 122.1(5) . . ?
O2_2 S1_2 O1_2 117.7(5) . . ?
O3_2 S1_2 O1_2 106.3(6) . . ?
O2_2 S1_2 C1_2 101.4(5) . . ?
O3_2 S1_2 C1_2 105.2(4) . . ?
O1_2 S1_2 C1_2 101.2(4) . . ?

# start Validation Reply Form
_vrf_PLAT910_ag11_0m_sq          
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         17 Note  
RESPONSE: Some low resolution reflections are bloced by beamstop.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_ag15_0m_5_sq
_database_code_depnum_ccdc_archive 'CCDC 2040192'
loop_
_audit_author_name
_audit_author_address
'shen yanglin'
;Huazhong University of Science and Technology
China
;
_audit_update_record             
;
2021-06-20 deposited with the CCDC.	2021-06-24 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V69 by Daniel Kratzert, Freiburg 2019,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C133 H192 Ag15 F3 O4 P6 S14'
_chemical_formula_moiety         ?
_chemical_formula_weight         4164.56
_chemical_melting_point          ?
_space_group_crystal_system      trigonal
_space_group_IT_number           163
_space_group_name_H-M_alt        'P -3 1 c'
_space_group_name_Hall           '-P 3 2c'
_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   20.6961(19)
_cell_length_b                   20.6961(19)
_cell_length_c                   23.000(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     8531.6(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    6165
_cell_measurement_theta_min      2.6475
_cell_measurement_theta_max      26.4025
_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_F_000             4136
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.140651
_exptl_absorpt_correction_T_max  0.260329
_exptl_absorpt_process_details   
;
TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1: Krause, L.,
Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.696
_shelx_estimated_absorpt_T_max   0.829
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      173(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           45.0
_diffrn_source_current           30.0
_diffrn_detector                 CMOS
_diffrn_detector_type            'Bruker PHOTON 100'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            23275
_diffrn_reflns_av_unetI/netI     0.0826
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_theta_min         2.439
_diffrn_reflns_theta_max         26.481
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             23275
_reflns_number_gt                11841
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       'Bruker BIS V6.2.9/2018-03-16'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0625P)²+105.0045P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         23275
_refine_ls_number_parameters     483
_refine_ls_number_restraints     617
_refine_ls_R_factor_all          0.1845
_refine_ls_R_factor_gt           0.1021
_refine_ls_wR_factor_ref         0.2882
_refine_ls_wR_factor_gt          0.2427
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.131
_refine_diff_density_min         -0.986
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0020(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_twin_special_details            
'The data was integrated as a 2-component twin.'
_twin_individual_id              2
_twin_individual_twin_matrix_11  0.06463
_twin_individual_twin_matrix_12  0.05015
_twin_individual_twin_matrix_13  -0.96456
_twin_individual_twin_matrix_21  0.96335
_twin_individual_twin_matrix_22  -0.08535
_twin_individual_twin_matrix_23  1.02478
_twin_individual_twin_matrix_31  -0.09539
_twin_individual_twin_matrix_32  -0.99544
_twin_individual_twin_matrix_33  -0.11427

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
F F 0.0171 0.0103 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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 0.57321(7) 0.31674(7) 0.36221(8) 0.0974(6) Uani 1 1 d . . . . .
Ag3 Ag 0.58639(10) 0.41361(10) 0.250000 0.0987(12) Uani 0.820(8) 2 d S TU P A 1
Ag3A Ag 0.6166(4) 0.3834(4) 0.250000 0.087(5) Uani 0.180(8) 2 d S TU P A 2
Ag2 Ag 0.73232(10) 0.56461(7) 0.32330(11) 0.1353(9) Uani 1 1 d . . . . .
S1 S 0.666667 0.333333 0.250000 0.081(3) Uani 1 6 d S TU P . .
O1 O 1.050(3) 0.893(4) 0.329(2) 0.078(19) Uani 0.1667 1 d . . P B -2
P1_1 P 0.7803(7) 0.6921(7) 0.3654(5) 0.063(3) Uani 0.5 1 d D U P C -1
C1_1 C 0.7989(12) 0.7170(11) 0.4419(6) 0.068(6) Uani 0.5 1 d DG U P C -1
C2_1 C 0.8051(12) 0.7830(10) 0.4624(7) 0.069(6) Uani 0.5 1 d G U P C -1
H2_1 H 0.799501 0.815566 0.436439 0.083 Uiso 0.5 1 calc R U P C -1
C3_1 C 0.8195(12) 0.8014(10) 0.5209(8) 0.079(6) Uani 0.5 1 d G U P C -1
H3_1 H 0.823715 0.846583 0.534955 0.094 Uiso 0.5 1 calc R U P C -1
C4_1 C 0.8277(12) 0.7538(13) 0.5590(6) 0.083(7) Uani 0.5 1 d G U P C -1
H4_1 H 0.837535 0.766424 0.598960 0.099 Uiso 0.5 1 calc R U P C -1
C5_1 C 0.8215(13) 0.6878(12) 0.5385(8) 0.083(7) Uani 0.5 1 d G U P C -1
H5_1 H 0.827141 0.655248 0.564449 0.100 Uiso 0.5 1 calc R U P C -1
C6_1 C 0.8071(13) 0.6694(9) 0.4799(9) 0.074(6) Uani 0.5 1 d G U P C -1
H6_1 H 0.802926 0.624229 0.465933 0.089 Uiso 0.5 1 calc R U P C -1
C7_1 C 0.7186(10) 0.7273(11) 0.3451(9) 0.068(6) Uani 0.5 1 d DG U P C -1
C8_1 C 0.6432(12) 0.6803(9) 0.3565(9) 0.073(7) Uani 0.5 1 d G U P C -1
H8_1 H 0.626795 0.633070 0.374118 0.088 Uiso 0.5 1 calc R U P C -1
C9_1 C 0.5918(9) 0.7022(11) 0.3419(11) 0.086(7) Uani 0.5 1 d G U P C -1
H9_1 H 0.540313 0.670055 0.349671 0.103 Uiso 0.5 1 calc R U P C -1
C10_1 C 0.6159(11) 0.7713(13) 0.3161(11) 0.086(8) Uani 0.5 1 d G U P C -1
H10_1 H 0.580772 0.786295 0.306164 0.103 Uiso 0.5 1 calc R U P C -1
C11_1 C 0.6913(12) 0.8184(9) 0.3048(10) 0.092(8) Uani 0.5 1 d G U P C -1
H11_1 H 0.707714 0.865552 0.287103 0.110 Uiso 0.5 1 calc R U P C -1
C12_1 C 0.7427(9) 0.7964(10) 0.3193(9) 0.075(6) Uani 0.5 1 d G U P C -1
H12_1 H 0.794197 0.828569 0.311549 0.090 Uiso 0.5 1 calc R U P C -1
P2_1 P 0.9265(8) 0.6813(8) 0.1484(6) 0.073(4) Uani 0.5 1 d D U P C -1
C13_1 C 0.9169(16) 0.6859(18) 0.0698(7) 0.094(8) Uani 0.5 1 d DG U P C -1
C14_1 C 0.9783(12) 0.715(2) 0.0330(10) 0.125(10) Uani 0.5 1 d G U P C -1
H14_1 H 1.026896 0.733163 0.048521 0.150 Uiso 0.5 1 calc R U P C -1
C15_1 C 0.9686(15) 0.717(2) -0.0267(9) 0.144(12) Uani 0.5 1 d G U P C -1
H15_1 H 1.010594 0.736937 -0.051851 0.172 Uiso 0.5 1 calc R U P C -1
C16_1 C 0.8975(18) 0.690(2) -0.0494(7) 0.138(12) Uani 0.5 1 d G U P C -1
H16_1 H 0.890882 0.691952 -0.090176 0.165 Uiso 0.5 1 calc R U P C -1
C17_1 C 0.8361(14) 0.661(2) -0.0126(12) 0.125(11) Uani 0.5 1 d G U P C -1
H17_1 H 0.787470 0.643193 -0.028131 0.150 Uiso 0.5 1 calc R U P C -1
C18_1 C 0.8458(13) 0.6592(19) 0.0471(11) 0.115(10) Uani 0.5 1 d G U P C -1
H18_1 H 0.803770 0.639419 0.072241 0.139 Uiso 0.5 1 calc R U P C -1
C19_1 C 1.1487(9) 0.7519(12) 0.1752(14) 0.100(10) Uani 0.5 1 d G U P C -1
H19_1 H 1.194105 0.797231 0.181618 0.120 Uiso 0.5 1 calc R U P C -1
C20_1 C 1.1485(10) 0.6846(15) 0.1737(14) 0.107(9) Uani 0.5 1 d G U P C -1
H20_1 H 1.193674 0.683986 0.179084 0.128 Uiso 0.5 1 calc R U P C -1
C21_1 C 1.0821(12) 0.6183(12) 0.1643(13) 0.111(9) Uani 0.5 1 d G U P C -1
H21_1 H 1.081957 0.572335 0.163235 0.133 Uiso 0.5 1 calc R U P C -1
C22_1 C 1.0160(9) 0.6193(10) 0.1564(13) 0.090(7) Uani 0.5 1 d G U P C -1
H22_1 H 0.970669 0.573928 0.149919 0.108 Uiso 0.5 1 calc R U P C -1
C23_1 C 1.0163(9) 0.6865(12) 0.1579(12) 0.078(7) Uani 0.5 1 d DG U P C -1
C24_1 C 1.0826(12) 0.7528(10) 0.1673(12) 0.092(8) Uani 0.5 1 d G U P C -1
H24_1 H 1.082815 0.798823 0.168302 0.111 Uiso 0.5 1 calc R U P C -1
C26_1 C 0.8684(18) 0.7404(14) 0.2664(11) 0.075(7) Uani 0.5 1 d D U P C -1
H26A_1 H 0.834187 0.754689 0.247792 0.090 Uiso 0.5 1 calc R U P C -1
H26B_1 H 0.847498 0.686266 0.259853 0.090 Uiso 0.5 1 calc R U P C -1
C25_1 C 0.8693(13) 0.7536(13) 0.3298(11) 0.071(6) Uani 0.5 1 d D U P C -1
H25A_1 H 0.882484 0.806024 0.336416 0.085 Uiso 0.5 1 calc R U P C -1
H25B_1 H 0.908563 0.746304 0.347988 0.085 Uiso 0.5 1 calc R U P C -1
C28_1 C 0.9394(18) 0.7709(11) 0.1730(11) 0.072(6) Uani 0.5 1 d D U P C -1
H28A_1 H 0.986467 0.811146 0.156183 0.087 Uiso 0.5 1 calc R U P C -1
H28B_1 H 0.898134 0.776866 0.157244 0.087 Uiso 0.5 1 calc R U P C -1
C27_1 C 0.9420(15) 0.7811(15) 0.2368(11) 0.080(7) Uani 0.5 1 d D U P C -1
H27A_1 H 0.964360 0.835026 0.245262 0.096 Uiso 0.5 1 calc R U P C -1
H27B_1 H 0.975265 0.764441 0.253583 0.096 Uiso 0.5 1 calc R U P C -1
S1_2 S 0.6430(2) 0.4510(2) 0.3898(2) 0.0901(13) Uani 1 1 d D U . . .
C1_2 C 0.641(2) 0.4729(18) 0.4682(10) 0.127(9) Uani 0.52(2) 1 d D U P D 1
H1_2 H 0.693683 0.509069 0.478900 0.153 Uiso 0.52(2) 1 calc R U P D 1
C2_2 C 0.616(3) 0.4065(17) 0.5099(10) 0.132(9) Uani 0.52(2) 1 d D U P D 1
H2A_2 H 0.560752 0.376499 0.510018 0.158 Uiso 0.52(2) 1 calc R U P D 1
H2B_2 H 0.635330 0.374343 0.495708 0.158 Uiso 0.52(2) 1 calc R U P D 1
C3_2 C 0.643(3) 0.431(3) 0.5717(11) 0.160(17) Uani 0.52(2) 1 d D U P D 1
H3A_2 H 0.626166 0.387335 0.596669 0.240 Uiso 0.52(2) 1 calc R U P D 1
H3B_2 H 0.697909 0.460191 0.572009 0.240 Uiso 0.52(2) 1 calc R U P D 1
H3C_2 H 0.623337 0.462346 0.586318 0.240 Uiso 0.52(2) 1 calc R U P D 1
C4_2 C 0.596(3) 0.513(3) 0.4817(18) 0.171(16) Uani 0.52(2) 1 d D U P D 1
H4A_2 H 0.612351 0.555764 0.455048 0.257 Uiso 0.52(2) 1 calc R U P D 1
H4B_2 H 0.542975 0.478659 0.476536 0.257 Uiso 0.52(2) 1 calc R U P D 1
H4C_2 H 0.606051 0.531650 0.521842 0.257 Uiso 0.52(2) 1 calc R U P D 1
C1A_2 C 0.6595(19) 0.459(2) 0.4699(11) 0.112(8) Uani 0.48(2) 1 d D U P D 2
H1A_2 H 0.694675 0.513633 0.475598 0.134 Uiso 0.48(2) 1 calc R U P D 2
C2A_2 C 0.593(2) 0.444(2) 0.5086(16) 0.138(9) Uani 0.48(2) 1 d D U P D 2
H2AA_2 H 0.606537 0.441816 0.549620 0.166 Uiso 0.48(2) 1 calc R U P D 2
H2AB_2 H 0.583697 0.486091 0.504975 0.166 Uiso 0.48(2) 1 calc R U P D 2
C3A_2 C 0.522(2) 0.373(2) 0.495(2) 0.140(14) Uani 0.48(2) 1 d D U P D 2
H3AA_2 H 0.482333 0.367364 0.521733 0.210 Uiso 0.48(2) 1 calc R U P D 2
H3AB_2 H 0.506644 0.374440 0.454937 0.210 Uiso 0.48(2) 1 calc R U P D 2
H3AC_2 H 0.529531 0.330074 0.499673 0.210 Uiso 0.48(2) 1 calc R U P D 2
C4A_2 C 0.702(3) 0.423(3) 0.496(2) 0.20(2) Uani 0.48(2) 1 d D U P D 2
H4AA_2 H 0.744453 0.433057 0.470536 0.307 Uiso 0.48(2) 1 calc R U P D 2
H4AB_2 H 0.720614 0.443372 0.534536 0.307 Uiso 0.48(2) 1 calc R U P D 2
H4AC_2 H 0.668723 0.368731 0.498673 0.307 Uiso 0.48(2) 1 calc R U P D 2
S1_3 S 0.6872(3) 0.5268(3) 0.2182(3) 0.1045(17) Uani 1 1 d D U . . .
C1_3 C 0.6171(16) 0.5484(14) 0.1883(16) 0.116(7) Uani 0.527(19) 1 d D U P A -1
H1_3 H 0.593086 0.512865 0.155306 0.140 Uiso 0.527(19) 1 calc R U P A -1
C2_3 C 0.6516(17) 0.6247(18) 0.1618(17) 0.121(7) Uani 0.527(19) 1 d D U P A -1
H2A_3 H 0.661305 0.621185 0.120076 0.146 Uiso 0.527(19) 1 calc R U P A -1
H2B_3 H 0.700142 0.657359 0.180821 0.146 Uiso 0.527(19) 1 calc R U P A -1
C3_3 C 0.6029(19) 0.6608(16) 0.1672(19) 0.109(10) Uani 0.527(19) 1 d D U P A -1
H3A_3 H 0.628433 0.710252 0.149060 0.163 Uiso 0.527(19) 1 calc R U P A -1
H3B_3 H 0.555145 0.629471 0.147555 0.163 Uiso 0.527(19) 1 calc R U P A -1
H3C_3 H 0.594015 0.665675 0.208352 0.163 Uiso 0.527(19) 1 calc R U P A -1
C4_3 C 0.5538(17) 0.532(3) 0.231(2) 0.196(17) Uani 0.527(19) 1 d D U P A -1
H4A_3 H 0.533775 0.481342 0.246534 0.294 Uiso 0.527(19) 1 calc R U P A -1
H4B_3 H 0.572863 0.568052 0.262681 0.294 Uiso 0.527(19) 1 calc R U P A -1
H4C_3 H 0.514078 0.535331 0.210395 0.294 Uiso 0.527(19) 1 calc R U P A -1
C1A_3 C 0.6684(18) 0.595(2) 0.1803(16) 0.116(7) Uani 0.473(19) 1 d D U P A 2
H1A_3 H 0.708268 0.643725 0.195543 0.139 Uiso 0.473(19) 1 calc R U P A 2
C2A_3 C 0.5984(18) 0.592(2) 0.1995(18) 0.121(8) Uani 0.473(19) 1 d D U P A 2
H2AA_3 H 0.601842 0.640201 0.191057 0.145 Uiso 0.473(19) 1 calc R U P A 2
H2AB_3 H 0.593033 0.583799 0.242092 0.145 Uiso 0.473(19) 1 calc R U P A 2
C3A_3 C 0.529(2) 0.529(2) 0.169(3) 0.139(13) Uani 0.473(19) 1 d D U P A 2
H3AA_3 H 0.484675 0.529810 0.183464 0.209 Uiso 0.473(19) 1 calc R U P A 2
H3AB_3 H 0.533743 0.537559 0.127329 0.209 Uiso 0.473(19) 1 calc R U P A 2
H3AC_3 H 0.524935 0.481154 0.178367 0.209 Uiso 0.473(19) 1 calc R U P A 2
C4A_3 C 0.681(3) 0.603(3) 0.1139(15) 0.160(15) Uani 0.473(19) 1 d D U P A 2
H4AA_3 H 0.727588 0.604194 0.104310 0.240 Uiso 0.473(19) 1 calc R U P A 2
H4AB_3 H 0.639218 0.560069 0.094358 0.240 Uiso 0.473(19) 1 calc R U P A 2
H4AC_3 H 0.683166 0.648955 0.100939 0.240 Uiso 0.473(19) 1 calc R U P A 2
C1_4 C 1.0104(15) 1.0123(17) 0.3702(6) 0.056(7) Uani 0.1667 1 d DG U P E -1
F1_4 F 0.9630(19) 1.0286(19) 0.3963(15) 0.055(10) Uani 0.1667 1 d DG U P E -1
F2_4 F 1.0789(17) 1.0683(19) 0.3805(14) 0.088(15) Uani 0.1667 1 d DG U P E -1
F3_4 F 1.0043(18) 0.9516(19) 0.3948(17) 0.058(11) Uani 0.1667 1 d DG U P E -1
S1_4 S 0.9923(19) 0.999(4) 0.2923(6) 0.055(6) Uani 0.1667 1 d DG U P E -1
O1_4 O 0.9180(19) 0.936(4) 0.2885(13) 0.055(13) Uani 0.1667 1 d DG U P E -1
O2_4 O 1.000(3) 1.069(4) 0.274(2) 0.070(15) Uani 0.1667 1 d DG U P E -1
O3_4 O 1.050(2) 0.986(4) 0.2715(16) 0.061(14) Uani 0.1667 1 d DG U P E -1


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S1_2 2.455(4) 2_655 ?
Ag1 S1_2 2.489(4) . ?
Ag1 S1_3 2.746(6) 4_665 ?
Ag1 Ag3A 2.852(3) . ?
Ag1 Ag1 3.096(2) 3_665 ?
Ag1 Ag1 3.096(2) 2_655 ?
Ag1 Ag2 3.107(2) 2_655 ?
Ag1 Ag3 3.195(2) . ?
Ag3 S1_3 2.342(5) 4_665 ?
Ag3 S1_3 2.342(5) . ?
Ag3 S1 2.878(4) . ?
Ag3A S1 1.795(16) . ?
Ag3A S1_3 2.671(9) . ?
Ag3A S1_3 2.671(9) 4_665 ?
Ag3A Ag3A 3.11(3) 2_655 ?
Ag3A Ag3A 3.11(3) 3_665 ?
Ag2 P1_1 2.504(12) . ?
Ag2 S1_3 2.568(7) . ?
Ag2 S1_2 2.634(5) . ?
Ag2 S1_3 2.862(5) 5_655 ?
P1_1 C7_1 1.819(13) . ?
P1_1 C1_1 1.819(13) . ?
P1_1 C25_1 1.827(15) . ?
C1_1 C2_1 1.3900 . ?
C1_1 C6_1 1.3900 . ?
C2_1 C3_1 1.3900 . ?
C3_1 C4_1 1.3900 . ?
C4_1 C5_1 1.3900 . ?
C5_1 C6_1 1.3900 . ?
C7_1 C8_1 1.3900 . ?
C7_1 C12_1 1.3900 . ?
C8_1 C9_1 1.3900 . ?
C9_1 C10_1 1.3900 . ?
C10_1 C11_1 1.3900 . ?
C11_1 C12_1 1.3900 . ?
P2_1 C23_1 1.819(13) . ?
P2_1 C28_1 1.827(15) . ?
P2_1 C13_1 1.827(14) . ?
C13_1 C14_1 1.3900 . ?
C13_1 C18_1 1.3900 . ?
C14_1 C15_1 1.3900 . ?
C15_1 C16_1 1.3900 . ?
C16_1 C17_1 1.3900 . ?
C17_1 C18_1 1.3900 . ?
C19_1 C20_1 1.3900 . ?
C19_1 C24_1 1.3900 . ?
C20_1 C21_1 1.3900 . ?
C21_1 C22_1 1.3900 . ?
C22_1 C23_1 1.3900 . ?
C23_1 C24_1 1.3900 . ?
C26_1 C25_1 1.48(2) . ?
C26_1 C27_1 1.49(3) . ?
C28_1 C27_1 1.48(2) . ?
S1_2 C1A_2 1.87(3) . ?
S1_2 C1_2 1.87(3) . ?
C1_2 C2_2 1.537(18) . ?
C1_2 C4_2 1.554(19) . ?
C2_2 C3_2 1.521(19) . ?
C1A_2 C2A_2 1.53(2) . ?
C1A_2 C4A_2 1.54(3) . ?
C2A_2 C3A_2 1.51(3) . ?
S1_3 C1A_3 1.85(3) . ?
S1_3 C1_3 1.85(3) . ?
C1_3 C2_3 1.500(16) . ?
C1_3 C4_3 1.529(18) . ?
C2_3 C3_3 1.528(17) . ?
C1A_3 C2A_3 1.49(2) . ?
C1A_3 C4A_3 1.54(3) . ?
C2A_3 C3A_3 1.53(3) . ?
C1_4 F3_4 1.3251 . ?
C1_4 F1_4 1.3282 . ?
C1_4 F2_4 1.3292 . ?
C1_4 S1_4 1.8236 . ?
S1_4 O2_4 1.4380 . ?
S1_4 O1_4 1.4387 . ?
S1_4 O3_4 1.4425 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1_2 Ag1 S1_2 143.9(2) 2_655 . ?
S1_2 Ag1 S1_3 112.86(15) 2_655 4_665 ?
S1_2 Ag1 S1_3 102.28(16) . 4_665 ?
S1_2 Ag1 Ag3A 126.3(3) 2_655 . ?
S1_2 Ag1 Ag3A 79.86(19) . . ?
S1_3 Ag1 Ag3A 57.0(2) 4_665 . ?
S1_2 Ag1 Ag1 109.40(11) 2_655 3_665 ?
S1_2 Ag1 Ag1 50.74(11) . 3_665 ?
S1_3 Ag1 Ag1 125.84(11) 4_665 3_665 ?
Ag3A Ag1 Ag1 71.14(14) . 3_665 ?
S1_2 Ag1 Ag1 51.72(11) 2_655 2_655 ?
S1_2 Ag1 Ag1 108.46(11) . 2_655 ?
S1_3 Ag1 Ag1 133.10(12) 4_665 2_655 ?
Ag3A Ag1 Ag1 94.5(3) . 2_655 ?
Ag1 Ag1 Ag1 60.0 3_665 2_655 ?
S1_2 Ag1 Ag2 55.04(11) 2_655 2_655 ?
S1_2 Ag1 Ag2 156.05(12) . 2_655 ?
S1_3 Ag1 Ag2 58.17(11) 4_665 2_655 ?
Ag1 Ag1 Ag2 150.78(6) 3_665 2_655 ?
Ag1 Ag1 Ag2 95.46(6) 2_655 2_655 ?
S1_2 Ag1 Ag3 141.01(15) 2_655 . ?
S1_2 Ag1 Ag3 71.67(13) . . ?
S1_3 Ag1 Ag3 45.65(10) 4_665 . ?
Ag1 Ag1 Ag3 80.20(5) 3_665 . ?
Ag1 Ag1 Ag3 113.81(6) 2_655 . ?
Ag2 Ag1 Ag3 97.94(6) 2_655 . ?
S1_3 Ag3 S1_3 169.1(3) 4_665 . ?
S1_3 Ag3 S1 95.43(14) 4_665 . ?
S1_3 Ag3 S1 95.43(14) . . ?
S1_3 Ag3 Ag1 57.00(14) 4_665 . ?
S1_3 Ag3 Ag1 129.30(16) . . ?
S1 Ag3 Ag1 62.00(6) . . ?
S1_3 Ag3 Ag1 129.30(16) 4_665 4_665 ?
S1_3 Ag3 Ag1 57.00(14) . 4_665 ?
S1 Ag3 Ag1 62.00(6) . 4_665 ?
Ag1 Ag3 Ag1 123.99(13) . 4_665 ?
S1 Ag3A S1_3 119.2(3) . . ?
S1 Ag3A S1_3 119.2(3) . 4_665 ?
S1_3 Ag3A S1_3 121.5(6) . 4_665 ?
S1 Ag3A Ag1 81.6(3) . . ?
S1_3 Ag3A Ag1 130.5(3) . . ?
S1_3 Ag3A Ag1 59.53(14) 4_665 . ?
S1 Ag3A Ag1 81.6(3) . 4_665 ?
S1_3 Ag3A Ag1 59.53(14) . 4_665 ?
S1_3 Ag3A Ag1 130.5(3) 4_665 4_665 ?
Ag1 Ag3A Ag1 163.2(6) . 4_665 ?
S1 Ag3A Ag3A 30.0 . 2_655 ?
S1_3 Ag3A Ag3A 146.9(3) . 2_655 ?
S1_3 Ag3A Ag3A 90.5(3) 4_665 2_655 ?
Ag1 Ag3A Ag3A 71.0(3) . 2_655 ?
Ag1 Ag3A Ag3A 94.2(3) 4_665 2_655 ?
S1 Ag3A Ag3A 29.999(1) . 3_665 ?
S1_3 Ag3A Ag3A 90.5(3) . 3_665 ?
S1_3 Ag3A Ag3A 146.9(3) 4_665 3_665 ?
Ag1 Ag3A Ag3A 94.2(3) . 3_665 ?
Ag1 Ag3A Ag3A 71.0(3) 4_665 3_665 ?
P1_1 Ag2 S1_3 125.3(3) . . ?
P1_1 Ag2 S1_2 116.6(3) . . ?
S1_3 Ag2 S1_2 106.74(16) . . ?
P1_1 Ag2 S1_3 117.7(3) . 5_655 ?
S1_3 Ag2 S1_3 79.41(18) . 5_655 ?
S1_2 Ag2 S1_3 104.10(15) . 5_655 ?
P1_1 Ag2 Ag1 133.1(3) . 3_665 ?
S1_3 Ag2 Ag1 100.01(11) . 3_665 ?
S1_2 Ag2 Ag1 49.80(10) . 3_665 ?
S1_3 Ag2 Ag1 54.60(12) 5_655 3_665 ?
Ag3A S1 Ag3A 120.0 . 2_655 ?
Ag3A S1 Ag3 120.000(1) . 2_655 ?
Ag3A S1 Ag3 0.0 2_655 2_655 ?
Ag3A S1 Ag3 119.998(1) 3_665 2_655 ?
Ag3 S1 Ag3 120.000(1) 2_655 3_665 ?
Ag3 S1 Ag3 120.0 2_655 . ?
Ag3 S1 Ag3 120.000(1) 3_665 . ?
C7_1 P1_1 C1_1 103.1(11) . . ?
C7_1 P1_1 C25_1 105.7(14) . . ?
C1_1 P1_1 C25_1 103.8(12) . . ?
C7_1 P1_1 Ag2 109.6(8) . . ?
C1_1 P1_1 Ag2 126.1(8) . . ?
C25_1 P1_1 Ag2 106.9(10) . . ?
C2_1 C1_1 C6_1 120.0 . . ?
C2_1 C1_1 P1_1 120.5(11) . . ?
C6_1 C1_1 P1_1 119.5(11) . . ?
C3_1 C2_1 C1_1 120.0 . . ?
C4_1 C3_1 C2_1 120.0 . . ?
C3_1 C4_1 C5_1 120.0 . . ?
C6_1 C5_1 C4_1 120.0 . . ?
C5_1 C6_1 C1_1 120.0 . . ?
C8_1 C7_1 C12_1 120.0 . . ?
C8_1 C7_1 P1_1 116.0(12) . . ?
C12_1 C7_1 P1_1 124.0(13) . . ?
C7_1 C8_1 C9_1 120.0 . . ?
C10_1 C9_1 C8_1 120.0 . . ?
C11_1 C10_1 C9_1 120.0 . . ?
C10_1 C11_1 C12_1 120.0 . . ?
C11_1 C12_1 C7_1 120.0 . . ?
C23_1 P2_1 C28_1 106.0(15) . . ?
C23_1 P2_1 C13_1 104.5(14) . . ?
C28_1 P2_1 C13_1 102.5(15) . . ?
C14_1 C13_1 C18_1 120.0 . . ?
C14_1 C13_1 P2_1 121.7(16) . . ?
C18_1 C13_1 P2_1 118.3(16) . . ?
C15_1 C14_1 C13_1 120.0 . . ?
C16_1 C15_1 C14_1 120.0 . . ?
C15_1 C16_1 C17_1 120.0 . . ?
C16_1 C17_1 C18_1 120.0 . . ?
C17_1 C18_1 C13_1 120.0 . . ?
C20_1 C19_1 C24_1 120.0 . . ?
C19_1 C20_1 C21_1 120.0 . . ?
C20_1 C21_1 C22_1 120.0 . . ?
C23_1 C22_1 C21_1 120.0 . . ?
C22_1 C23_1 C24_1 120.0 . . ?
C22_1 C23_1 P2_1 116.4(13) . . ?
C24_1 C23_1 P2_1 123.6(13) . . ?
C23_1 C24_1 C19_1 120.0 . . ?
C25_1 C26_1 C27_1 116(3) . . ?
C26_1 C25_1 P1_1 113.4(18) . . ?
C27_1 C28_1 P2_1 115.3(18) . . ?
C28_1 C27_1 C26_1 115(3) . . ?
C1A_2 S1_2 Ag1 97.9(10) . 3_665 ?
C1_2 S1_2 Ag1 115.2(11) . 3_665 ?
C1A_2 S1_2 Ag1 109.3(12) . . ?
C1_2 S1_2 Ag1 116.5(10) . . ?
Ag1 S1_2 Ag1 77.54(13) 3_665 . ?
C1A_2 S1_2 Ag2 118.5(12) . . ?
C1_2 S1_2 Ag2 115.9(10) . . ?
Ag1 S1_2 Ag2 75.16(13) 3_665 . ?
Ag1 S1_2 Ag2 127.2(2) . . ?
C2_2 C1_2 C4_2 109.6(17) . . ?
C2_2 C1_2 S1_2 115.1(17) . . ?
C4_2 C1_2 S1_2 114.6(18) . . ?
C3_2 C2_2 C1_2 112.3(17) . . ?
C2A_2 C1A_2 C4A_2 110(3) . . ?
C2A_2 C1A_2 S1_2 117(2) . . ?
C4A_2 C1A_2 S1_2 118(2) . . ?
C3A_2 C2A_2 C1A_2 115(3) . . ?
C1_3 S1_3 Ag3 86.8(8) . . ?
C1A_3 S1_3 Ag2 113.2(13) . . ?
C1_3 S1_3 Ag2 119.0(11) . . ?
Ag3 S1_3 Ag2 91.0(2) . . ?
C1A_3 S1_3 Ag3A 139.9(12) . . ?
Ag2 S1_3 Ag3A 89.71(18) . . ?
C1_3 S1_3 Ag1 101.6(11) . 4_665 ?
Ag3 S1_3 Ag1 77.34(15) . 4_665 ?
Ag2 S1_3 Ag1 137.13(19) . 4_665 ?
C1_3 S1_3 Ag2 130.7(9) . 5_655 ?
Ag3 S1_3 Ag2 131.75(19) . 5_655 ?
Ag2 S1_3 Ag2 93.35(18) . 5_655 ?
Ag1 S1_3 Ag2 67.24(12) 4_665 5_655 ?
C2_3 C1_3 C4_3 113.6(14) . . ?
C2_3 C1_3 S1_3 112.9(17) . . ?
C4_3 C1_3 S1_3 113.3(18) . . ?
C1_3 C2_3 C3_3 113.5(13) . . ?
C2A_3 C1A_3 C4A_3 114(3) . . ?
C2A_3 C1A_3 S1_3 114(2) . . ?
C4A_3 C1A_3 S1_3 118(2) . . ?
C1A_3 C2A_3 C3A_3 112(3) . . ?
F3_4 C1_4 F1_4 108.3 . . ?
F3_4 C1_4 F2_4 107.8 . . ?
F1_4 C1_4 F2_4 107.4 . . ?
F3_4 C1_4 S1_4 111.2 . . ?
F1_4 C1_4 S1_4 111.1 . . ?
F2_4 C1_4 S1_4 110.8 . . ?
O2_4 S1_4 O1_4 115.0 . . ?
O2_4 S1_4 O3_4 114.8 . . ?
O1_4 S1_4 O3_4 114.7 . . ?
O2_4 S1_4 C1_4 102.9 . . ?
O1_4 S1_4 C1_4 104.0 . . ?
O3_4 S1_4 C1_4 103.1 . . ?

