#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:46:23 +0100 (vie 25 de mar de 2016) $
#$Revision: 179989 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/83/7028391.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7028391
loop_
_publ_author_name
'Sniekers, Jeroen'
'Brooks, Neil R.'
'Schaltin, Stijn'
'Van Meervelt, Luc'
'Fransaer, Jan'
'Binnemans, Koen'
_publ_section_title
;
 High current density electrodeposition of silver from silver-containing
 liquid metal salts with pyridine-N-oxide ligands.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1589
_journal_page_last               1598
_journal_paper_doi               10.1039/c3dt52416g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C45 H45 Ag3 N9 O9, 3(C2 F6 N O4 S2)'
_chemical_formula_sum            'C51 H45 Ag3 F18 N12 O21 S6'
_chemical_formula_weight         2019.93
_chemical_name_common
;
tris(pyridine-N-oxide) silver bistriflimide
;
_chemical_name_systematic
;
tris(pyridine-N-oxide) silver bis(trifluoromethylsulfonyl)imide
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-08-09
_audit_creation_method
;
  Olex2 1.2
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   25.5554(4)
_cell_length_b                   25.5554(4)
_cell_length_c                   56.4189(11)
_cell_measurement_reflns_used    40166
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1457
_cell_measurement_theta_min      2.6840
_cell_volume                     31909.5(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 15.9631
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega  -78.00   -1.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513  -57.0000 -120.0000 154

  2 omega  -32.00   52.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513   57.0000  150.0000 168

  3 omega   -8.00   23.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1513  -99.0000  150.0000 62

  4 omega   -9.00   55.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8701  -99.0000   90.0000 128
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0317519000
_diffrn_orient_matrix_UB_12      -0.0171552000
_diffrn_orient_matrix_UB_13      -0.0016300000
_diffrn_orient_matrix_UB_21      -0.0008878000
_diffrn_orient_matrix_UB_22      0.0270306000
_diffrn_orient_matrix_UB_23      -0.0016025000
_diffrn_orient_matrix_UB_31      0.0043237000
_diffrn_orient_matrix_UB_32      -0.0012861000
_diffrn_orient_matrix_UB_33      -0.0123658000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_av_unetI/netI     0.0148
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       70
_diffrn_reflns_limit_l_min       -70
_diffrn_reflns_number            53899
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.76
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.124
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             18036
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.742
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1045
_refine_ls_number_reflns         14480
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.183
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0204P)²+190.5742P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                12956
_reflns_number_total             14480
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52416g.txt
_cod_data_source_block           kb2002
_cod_database_code               7028391
#BEGIN Tags that were not found in dictionaries:
_chemical_oxdiff_formula         'Ag C2 F6 S2 O4 N C10 H10 O2 N2'
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O5) = Uanis(O5')
Uanis(N14) = Uanis(N14')
Uanis(C39) = Uanis(C39')
Uanis(C40) = Uanis(C40')
Uanis(C41) = Uanis(C41')
Uanis(C42) = Uanis(C42')
Uanis(C43) = Uanis(C43')
Uanis(S72) = Uanis(S72')
Uanis(O73) = Uanis(O73')
Uanis(O74) = Uanis(O74')
Uanis(C75) = Uanis(C75')
Uanis(F76) = Uanis(F76')
Uanis(F77) = Uanis(F77')
Uanis(F78) = Uanis(F78')
3. Same fragment restrains
{O5, N14, C39, C40, C41, C42, C43}
as
{O5', N14', C39', C40', C41', C42', C43'}
{S72, O73, O74, C75, F76, F77, F78}
as
{S72', O73', O74', C75', F76', F77', F78'}
4. Others
 Sof(S72')=Sof(O73')=Sof(O74')=Sof(C75')=Sof(F76')=Sof(F77')=Sof(F78')=1-FVAR(1)
 Sof(S72)=Sof(O73)=Sof(O74)=Sof(C75)=Sof(F76)=Sof(F77)=Sof(F78)=FVAR(1)
 Sof(O5')=Sof(N14')=Sof(C39')=Sof(H39')=Sof(C40')=Sof(H40')=Sof(C41')=
 Sof(H41')=Sof(C42')=Sof(H42')=Sof(C43')=Sof(H43')=1-FVAR(2)
 Sof(O5)=Sof(N14)=Sof(C39)=Sof(H39)=Sof(C40)=Sof(H40)=Sof(C41)=Sof(H41)=
 Sof(C42)=Sof(H42)=Sof(C43)=Sof(H43)=FVAR(2)
5.a Riding coordinates:
 C21(H21)
5.b Aromatic/amide H refined with riding coordinates:
 C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26),
 C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34),
  C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C41(H41),
 C42(H42), C43(H43), C39'(H39'), C40'(H40'), C41'(H41'), C42'(H42'), C43'(H43'),
  C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58),
  C59(H59), C60(H60), C61(H61), C62(H62), C63(H63)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y, x-y, z'
3 '-x+y, -x, z'
4 'x+2/3, y+1/3, z+1/3'
5 '-y+2/3, x-y+1/3, z+1/3'
6 '-x+y+2/3, -x+1/3, z+1/3'
7 'x+1/3, y+2/3, z+2/3'
8 '-y+1/3, x-y+2/3, z+2/3'
9 '-x+y+1/3, -x+2/3, z+2/3'
10 '-x, -y, -z'
11 'y, -x+y, -z'
12 'x-y, x, -z'
13 '-x+2/3, -y+1/3, -z+1/3'
14 'y+2/3, -x+y+1/3, -z+1/3'
15 'x-y+2/3, x+1/3, -z+1/3'
16 '-x+1/3, -y+2/3, -z+2/3'
17 'y+1/3, -x+y+2/3, -z+2/3'
18 'x-y+1/3, x+2/3, -z+2/3'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.6667 0.3333 0.3333 0.01447(10) Uani 1 6 d S . .
Ag2 Ag 0.6667 0.3333 0.277486(6) 0.01501(8) Uani 1 3 d S . .
Ag3 Ag 0.6667 0.3333 0.221480(6) 0.01351(8) Uani 1 3 d S . .
Ag4 Ag 0.6667 0.3333 0.164340(6) 0.01447(8) Uani 1 3 d S . .
Ag5 Ag 0.6667 0.3333 0.109743(6) 0.01391(8) Uani 1 3 d S . .
Ag6 Ag 0.6667 0.3333 0.055643(5) 0.01328(7) Uani 1 3 d S . .
Ag7 Ag 0.6667 0.3333 -0.000960(5) 0.01232(7) Uani 1 3 d S . .
Ag8 Ag 0.6667 0.3333 -0.055976(6) 0.01452(8) Uani 1 3 d S . .
Ag9 Ag 0.6667 0.3333 -0.109891(6) 0.01503(8) Uani 1 3 d S . .
Ag10 Ag 0.6667 0.3333 -0.1667 0.01690(10) Uani 1 6 d S . .
O1 O 0.74915(8) 0.35220(8) 0.30524(3) 0.0193(4) Uani 1 1 d . . .
O2 O 0.74527(8) 0.40397(9) 0.24927(3) 0.0191(4) Uani 1 1 d . . .
O3 O 0.58607(8) 0.27306(8) 0.19267(3) 0.0170(4) Uani 1 1 d . . .
O4 O 0.74082(8) 0.41174(8) 0.13688(3) 0.0181(4) Uani 1 1 d . A .
O6 O 0.70869(8) 0.29036(9) 0.02758(3) 0.0201(4) Uani 1 1 d . A .
O7 O 0.74256(9) 0.33277(8) -0.02847(3) 0.0178(4) Uani 1 1 d . A .
O8 O 0.68829(8) 0.26956(9) -0.08279(3) 0.0185(4) Uani 1 1 d . A .
O9 O 0.63500(9) 0.24932(9) -0.13824(3) 0.0198(4) Uani 1 1 d . A .
N10 N 0.79790(10) 0.40710(10) 0.30563(4) 0.0159(4) Uani 1 1 d . . .
N11 N 0.79815(10) 0.40561(10) 0.24763(4) 0.0153(4) Uani 1 1 d . . .
N12 N 0.53626(10) 0.27714(10) 0.19328(4) 0.0134(4) Uani 1 1 d . A .
N13 N 0.74625(10) 0.46631(10) 0.13576(4) 0.0150(4) Uani 1 1 d . . .
N15 N 0.76894(10) 0.31420(10) 0.02882(4) 0.0178(5) Uani 1 1 d . . .
N16 N 0.74925(10) 0.28445(10) -0.02626(4) 0.0155(4) Uani 1 1 d . . .
N17 N 0.74356(10) 0.27663(10) -0.08378(4) 0.0158(4) Uani 1 1 d . . .
N18 N 0.66673(10) 0.22101(11) -0.13805(4) 0.0174(5) Uani 1 1 d . . .
C19 C 0.79211(12) 0.45661(12) 0.30659(5) 0.0187(5) Uani 1 1 d . . .
H19 H 0.7538 0.4525 0.3069 0.022 Uiso 1 1 calc R . .
C20 C 0.84254(13) 0.51323(13) 0.30718(5) 0.0209(6) Uani 1 1 d . . .
H20 H 0.8383 0.5473 0.3079 0.025 Uiso 1 1 calc R . .
C21 C 0.89944(13) 0.51957(13) 0.30664(5) 0.0227(6) Uani 1 1 d . . .
H21 H 0.9324 0.5580 0.3065 0.027 Uiso 1 1 d R . .
C22 C 0.90426(13) 0.46807(13) 0.30554(5) 0.0223(6) Uani 1 1 d . . .
H22 H 0.9422 0.4713 0.3051 0.027 Uiso 1 1 calc R . .
C23 C 0.85309(12) 0.41212(13) 0.30509(5) 0.0189(6) Uani 1 1 d . . .
H23 H 0.8564 0.3775 0.3044 0.023 Uiso 1 1 calc R . .
C24 C 0.80038(13) 0.35406(13) 0.24586(5) 0.0203(6) Uani 1 1 d . . .
H24 H 0.7649 0.3168 0.2464 0.024 Uiso 1 1 calc R . .
C25 C 0.85525(13) 0.35671(14) 0.24320(5) 0.0237(6) Uani 1 1 d . . .
H25 H 0.8568 0.3212 0.2418 0.028 Uiso 1 1 calc R . .
C26 C 0.90794(13) 0.41194(14) 0.24268(5) 0.0240(6) Uani 1 1 d . . .
H26 H 0.9451 0.4141 0.2407 0.029 Uiso 1 1 calc R . .
C27 C 0.90444(13) 0.46395(14) 0.24509(5) 0.0240(6) Uani 1 1 d . . .
H27 H 0.9395 0.5016 0.2450 0.029 Uiso 1 1 calc R . .
C28 C 0.84922(12) 0.45998(12) 0.24761(5) 0.0191(6) Uani 1 1 d . . .
H28 H 0.8469 0.4950 0.2493 0.023 Uiso 1 1 calc R . .
C29 C 0.48238(12) 0.22556(12) 0.19462(5) 0.0165(5) Uani 1 1 d . . .
H29 H 0.4808 0.1884 0.1951 0.020 Uiso 1 1 calc R A .
C30 C 0.42970(12) 0.22799(13) 0.19531(5) 0.0203(6) Uani 1 1 d . A .
H30 H 0.3926 0.1925 0.1963 0.024 Uiso 1 1 calc R . .
C31 C 0.43181(12) 0.28301(13) 0.19456(5) 0.0203(6) Uani 1 1 d . . .
H31 H 0.3965 0.2850 0.1950 0.024 Uiso 1 1 calc R A .
C32 C 0.48778(12) 0.33531(12) 0.19313(5) 0.0183(5) Uani 1 1 d . A .
H32 H 0.4901 0.3728 0.1926 0.022 Uiso 1 1 calc R . .
C33 C 0.53995(12) 0.33196(12) 0.19249(4) 0.0158(5) Uani 1 1 d . . .
H33 H 0.5774 0.3670 0.1915 0.019 Uiso 1 1 calc R A .
C34 C 0.69693(13) 0.47230(13) 0.13402(5) 0.0203(6) Uani 1 1 d . A .
H34 H 0.6586 0.4383 0.1342 0.024 Uiso 1 1 calc R . .
C35 C 0.70341(13) 0.52888(13) 0.13193(5) 0.0239(6) Uani 1 1 d . . .
H35 H 0.6694 0.5329 0.1305 0.029 Uiso 1 1 calc R A .
C36 C 0.76001(14) 0.57951(13) 0.13197(5) 0.0255(6) Uani 1 1 d . A .
H36 H 0.7646 0.6178 0.1304 0.031 Uiso 1 1 calc R . .
C37 C 0.80993(14) 0.57230(13) 0.13438(5) 0.0257(6) Uani 1 1 d . . .
H37 H 0.8486 0.6059 0.1348 0.031 Uiso 1 1 calc R A .
C38 C 0.80209(12) 0.51527(12) 0.13621(5) 0.0194(6) Uani 1 1 d . A .
H38 H 0.8356 0.5104 0.1378 0.023 Uiso 1 1 calc R . .
O5 O 0.60839(9) 0.24529(9) 0.08236(4) 0.0189(5) Uani 0.915(4) 1 d PD A 1
N14 N 0.62612(14) 0.20425(13) 0.08283(5) 0.0168(6) Uani 0.915(4) 1 d PD A 1
C39 C 0.58398(17) 0.14547(15) 0.08618(8) 0.0215(8) Uani 0.915(4) 1 d PD A 1
H39 H 0.5438 0.1345 0.0886 0.026 Uiso 0.915(4) 1 calc PR A 1
C40 C 0.6007(2) 0.1020(2) 0.0860(2) 0.0242(9) Uani 0.915(4) 1 d PD A 1
H40 H 0.5716 0.0616 0.0881 0.029 Uiso 0.915(4) 1 calc PR A 1
C41 C 0.6603(2) 0.11789(17) 0.08285(9) 0.0247(9) Uani 0.915(4) 1 d PD A 1
H41 H 0.6718 0.0887 0.0825 0.030 Uiso 0.915(4) 1 calc PR A 1
C42 C 0.70301(16) 0.17901(16) 0.08013(6) 0.0217(7) Uani 0.915(4) 1 d PD A 1
H42 H 0.7437 0.1911 0.0784 0.026 Uiso 0.915(4) 1 calc PR A 1
C43 C 0.68477(16) 0.22119(14) 0.07998(6) 0.0183(7) Uani 0.915(4) 1 d PD A 1
H43 H 0.7132 0.2618 0.0779 0.022 Uiso 0.915(4) 1 calc PR A 1
O5' O 0.6972(9) 0.2809(8) 0.0834(4) 0.0189(5) Uani 0.085(4) 1 d PD A 2
N14' N 0.6638(14) 0.2203(10) 0.0833(6) 0.0168(6) Uani 0.085(4) 1 d PD A 2
C39' C 0.6042(13) 0.1913(15) 0.0879(8) 0.0215(8) Uani 0.085(4) 1 d PD A 2
H39' H 0.5846 0.2129 0.0910 0.026 Uiso 0.085(4) 1 calc PR A 2
C40' C 0.5726(17) 0.1290(15) 0.0881(12) 0.0242(9) Uani 0.085(4) 1 d PD A 2
H40' H 0.5306 0.1084 0.0887 0.029 Uiso 0.085(4) 1 calc PR A 2
C41' C 0.603(2) 0.0970(18) 0.087(3) 0.0247(9) Uani 0.085(4) 1 d PD A 2
H41' H 0.5824 0.0551 0.0879 0.030 Uiso 0.085(4) 1 calc PR A 2
C42' C 0.666(2) 0.1304(17) 0.0852(12) 0.0217(7) Uani 0.085(4) 1 d PD A 2
H42' H 0.6903 0.1139 0.0891 0.026 Uiso 0.085(4) 1 calc PR A 2
C43' C 0.6907(15) 0.1888(15) 0.0770(7) 0.0183(7) Uani 0.085(4) 1 d PD A 2
H43' H 0.7249 0.2059 0.0675 0.022 Uiso 0.085(4) 1 calc PR A 2
C44 C 0.80512(13) 0.37449(13) 0.02637(5) 0.0211(6) Uani 1 1 d . A .
H44 H 0.7888 0.3994 0.0240 0.025 Uiso 1 1 calc R . .
C45 C 0.86724(14) 0.39843(15) 0.02740(5) 0.0295(7) Uani 1 1 d . . .
H45 H 0.8929 0.4398 0.0257 0.035 Uiso 1 1 calc R A .
C46 C 0.89126(14) 0.36109(16) 0.03095(5) 0.0295(7) Uani 1 1 d . A .
H46 H 0.9328 0.3769 0.0316 0.035 Uiso 1 1 calc R . .
C47 C 0.85232(15) 0.30018(16) 0.03342(5) 0.0299(7) Uani 1 1 d . . .
H47 H 0.8676 0.2744 0.0359 0.036 Uiso 1 1 calc R A .
C48 C 0.79122(14) 0.27708(14) 0.03233(5) 0.0239(6) Uani 1 1 d . A .
H48 H 0.7651 0.2357 0.0340 0.029 Uiso 1 1 calc R . .
C49 C 0.70058(12) 0.22902(12) -0.02351(5) 0.0180(5) Uani 1 1 d . A .
H49 H 0.6620 0.2241 -0.0238 0.022 Uiso 1 1 calc R . .
C50 C 0.70787(14) 0.17988(13) -0.02033(5) 0.0222(6) Uani 1 1 d . . .
H50 H 0.6742 0.1418 -0.0183 0.027 Uiso 1 1 calc R A .
C51 C 0.76505(14) 0.18655(14) -0.02014(5) 0.0235(6) Uani 1 1 d . A .
H51 H 0.7702 0.1534 -0.0177 0.028 Uiso 1 1 calc R . .
C52 C 0.81419(14) 0.24346(14) -0.02359(5) 0.0250(6) Uani 1 1 d . . .
H52 H 0.8530 0.2489 -0.0239 0.030 Uiso 1 1 calc R A .
C53 C 0.80563(12) 0.29226(13) -0.02655(5) 0.0194(6) Uani 1 1 d . A .
H53 H 0.8388 0.3307 -0.0288 0.023 Uiso 1 1 calc R . .
C54 C 0.74958(13) 0.22697(12) -0.08178(5) 0.0187(6) Uani 1 1 d . A .
H54 H 0.7156 0.1891 -0.0797 0.022 Uiso 1 1 calc R . .
C55 C 0.80575(13) 0.23269(13) -0.08283(5) 0.0225(6) Uani 1 1 d . . .
H55 H 0.8098 0.1986 -0.0813 0.027 Uiso 1 1 calc R A .
C56 C 0.85660(14) 0.28883(14) -0.08618(5) 0.0253(6) Uani 1 1 d . A .
H56 H 0.8949 0.2930 -0.0869 0.030 Uiso 1 1 calc R . .
C57 C 0.84903(13) 0.33858(13) -0.08841(5) 0.0237(6) Uani 1 1 d . . .
H57 H 0.8825 0.3766 -0.0909 0.028 Uiso 1 1 calc R A .
C58 C 0.79222(13) 0.33207(12) -0.08694(5) 0.0193(6) Uani 1 1 d . A .
H58 H 0.7874 0.3657 -0.0881 0.023 Uiso 1 1 calc R . .
C59 C 0.63752(13) 0.16082(13) -0.13423(5) 0.0219(6) Uani 1 1 d . A .
H59 H 0.5961 0.1400 -0.1315 0.026 Uiso 1 1 calc R . .
C60 C 0.66897(14) 0.13031(14) -0.13433(5) 0.0256(6) Uani 1 1 d . . .
H60 H 0.6487 0.0889 -0.1316 0.031 Uiso 1 1 calc R A .
C61 C 0.73033(14) 0.16062(14) -0.13840(5) 0.0254(6) Uani 1 1 d . A .
H61 H 0.7517 0.1400 -0.1388 0.030 Uiso 1 1 calc R . .
C62 C 0.75942(14) 0.22257(14) -0.14191(5) 0.0238(6) Uani 1 1 d . . .
H62 H 0.8010 0.2441 -0.1444 0.029 Uiso 1 1 calc R A .
C63 C 0.72703(13) 0.25230(13) -0.14175(5) 0.0196(6) Uani 1 1 d . A .
H63 H 0.7466 0.2938 -0.1442 0.023 Uiso 1 1 calc R . .
C64 C 0.16461(14) -0.13540(14) -0.06811(5) 0.0285(7) Uani 1 1 d . . .
F65 F 0.14061(10) -0.19428(9) -0.07226(4) 0.0417(5) Uani 1 1 d . . .
F66 F 0.20427(9) -0.10594(9) -0.08530(3) 0.0343(4) Uani 1 1 d . . .
F67 F 0.12108(8) -0.12150(9) -0.06939(4) 0.0384(5) Uani 1 1 d . . .
S68 S 0.20048(3) -0.11812(3) -0.038727(12) 0.02159(15) Uani 1 1 d . B .
O69 O 0.15064(10) -0.14897(11) -0.02293(4) 0.0331(5) Uani 1 1 d . . .
O70 O 0.24339(9) -0.13853(9) -0.04040(4) 0.0256(4) Uani 1 1 d . . .
N71 N 0.22802(11) -0.04776(11) -0.03587(4) 0.0249(5) Uani 1 1 d . . .
S72 S 0.2973(4) 0.0027(3) -0.04285(12) 0.0184(7) Uani 0.655(3) 1 d PD B 1
O73 O 0.3017(2) 0.0606(2) -0.04463(7) 0.0242(9) Uani 0.655(3) 1 d PD B 1
O74 O 0.3253(3) -0.0141(4) -0.06069(11) 0.0341(14) Uani 0.655(3) 1 d PD B 1
C75 C 0.3385(2) 0.0091(2) -0.01531(9) 0.0276(11) Uani 0.655(3) 1 d PD B 1
F76 F 0.3978(5) 0.0431(6) -0.0194(4) 0.0417(10) Uani 0.655(3) 1 d PD B 1
F77 F 0.32269(13) 0.03395(14) 0.00179(5) 0.0370(7) Uani 0.655(3) 1 d PD B 1
F78 F 0.3285(2) -0.04530(18) -0.00807(9) 0.0521(10) Uani 0.655(3) 1 d PD B 1
S72' S 0.2912(8) -0.0041(7) -0.0419(2) 0.0184(7) Uani 0.345(3) 1 d PD B 2
O73' O 0.2997(5) 0.0534(5) -0.03558(14) 0.0242(9) Uani 0.345(3) 1 d PD B 2
O74' O 0.3100(7) -0.0100(8) -0.0651(2) 0.0341(14) Uani 0.345(3) 1 d PD B 2
C75' C 0.3431(4) -0.0132(4) -0.02220(17) 0.0276(11) Uani 0.345(3) 1 d PD B 2
F76' F 0.3923(10) 0.0403(11) -0.0184(7) 0.0417(10) Uani 0.345(3) 1 d PD B 2
F77' F 0.3173(4) -0.0375(4) -0.00160(12) 0.0370(7) Uani 0.345(3) 1 d PD B 2
F78' F 0.3599(3) -0.0512(3) -0.03049(12) 0.0521(10) Uani 0.345(3) 1 d PD B 2
C79 C 0.44961(14) -0.06213(15) 0.04995(6) 0.0294(7) Uani 1 1 d . . .
F80 F 0.50877(9) -0.03843(11) 0.04841(4) 0.0501(6) Uani 1 1 d . . .
F81 F 0.42438(9) -0.12234(9) 0.04985(3) 0.0386(5) Uani 1 1 d . . .
F82 F 0.43001(9) -0.04641(9) 0.03083(3) 0.0357(4) Uani 1 1 d . . .
S83 S 0.43123(3) -0.03606(3) 0.077436(12) 0.02064(14) Uani 1 1 d . . .
O84 O 0.45286(10) -0.05936(10) 0.09557(4) 0.0282(5) Uani 1 1 d . . .
O85 O 0.45975(9) 0.02792(9) 0.07450(4) 0.0272(5) Uani 1 1 d . . .
N86 N 0.35993(11) -0.07157(11) 0.07801(4) 0.0219(5) Uani 1 1 d . . .
S87 S 0.31986(3) -0.04580(3) 0.067692(12) 0.01844(14) Uani 1 1 d . . .
O88 O 0.25968(9) -0.09554(9) 0.06501(4) 0.0272(5) Uani 1 1 d . . .
O89 O 0.34516(10) -0.00293(10) 0.04895(4) 0.0298(5) Uani 1 1 d . . .
C90 C 0.31279(14) -0.00322(13) 0.09249(5) 0.0243(6) Uani 1 1 d . . .
F91 F 0.28978(10) -0.03829(10) 0.11153(3) 0.0410(5) Uani 1 1 d . . .
F92 F 0.36474(9) 0.04402(9) 0.09832(4) 0.0415(5) Uani 1 1 d . . .
F93 F 0.27482(8) 0.01570(8) 0.08630(3) 0.0311(4) Uani 1 1 d . . .
C94 C 0.53957(13) 0.51410(14) 0.14888(5) 0.0238(6) Uani 1 1 d . . .
F95 F 0.49556(8) 0.52756(9) 0.14963(3) 0.0327(4) Uani 1 1 d . . .
F96 F 0.58282(8) 0.55379(9) 0.13469(3) 0.0304(4) Uani 1 1 d . . .
F97 F 0.51788(10) 0.45997(9) 0.13936(4) 0.0422(5) Uani 1 1 d . . .
S98 S 0.56792(3) 0.51446(3) 0.178813(12) 0.01776(14) Uani 1 1 d . . .
O99 O 0.60951(9) 0.49296(9) 0.17548(4) 0.0258(5) Uani 1 1 d . . .
O100 O 0.51386(9) 0.47829(9) 0.19201(4) 0.0245(4) Uani 1 1 d . . .
N101 N 0.59706(10) 0.58203(10) 0.18706(4) 0.0208(5) Uani 1 1 d . . .
S102 S 0.66683(3) 0.62830(3) 0.183952(14) 0.02534(16) Uani 1 1 d . . .
O103 O 0.70452(11) 0.62070(11) 0.20064(6) 0.0514(8) Uani 1 1 d . . .
O104 O 0.68772(12) 0.64073(12) 0.16036(5) 0.0570(9) Uani 1 1 d . . .
C105 C 0.66597(14) 0.69510(14) 0.19421(6) 0.0296(7) Uani 1 1 d . . .
F106 F 0.72158(9) 0.74183(8) 0.19227(4) 0.0430(5) Uani 1 1 d . . .
F107 F 0.65023(11) 0.69114(11) 0.21650(4) 0.0593(7) Uani 1 1 d . . .
F108 F 0.62938(11) 0.70599(10) 0.18156(6) 0.0706(9) Uani 1 1 d . . .
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'
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
Ag2 Ag1 Ag2 180.0 . 16_655
O1 Ag1 Ag2 129.64(4) 17 .
O1 Ag1 Ag2 129.64(4) 18_545 .
O1 Ag1 Ag2 129.64(4) 16_655 .
O1 Ag1 Ag2 50.36(4) . .
O1 Ag1 Ag2 50.36(4) 3_665 .
O1 Ag1 Ag2 50.36(4) 2_655 .
O1 Ag1 Ag2 50.36(4) 17 16_655
O1 Ag1 Ag2 50.36(4) 18_545 16_655
O1 Ag1 Ag2 50.36(4) 16_655 16_655
O1 Ag1 Ag2 129.64(4) . 16_655
O1 Ag1 Ag2 129.64(4) 3_665 16_655
O1 Ag1 Ag2 129.64(4) 2_655 16_655
O1 Ag1 O1 96.34(7) 3_665 17
O1 Ag1 O1 179.996(1) 2_655 17
O1 Ag1 O1 96.34(7) . 18_545
O1 Ag1 O1 96.34(7) . 17
O1 Ag1 O1 83.65(7) . 3_665
O1 Ag1 O1 83.66(7) . 2_655
O1 Ag1 O1 83.65(7) 3_665 2_655
O1 Ag1 O1 179.997(2) 3_665 18_545
O1 Ag1 O1 96.35(7) 2_655 16_655
O1 Ag1 O1 83.66(7) 18_545 16_655
O1 Ag1 O1 83.66(7) 17 16_655
O1 Ag1 O1 96.34(7) 3_665 16_655
O1 Ag1 O1 96.35(7) 2_655 18_545
O1 Ag1 O1 83.66(7) 17 18_545
O1 Ag1 O1 179.997(1) . 16_655
Ag1 Ag2 Ag3 180.0 . .
O1 Ag2 Ag1 50.70(4) 2_655 .
O1 Ag2 Ag1 50.70(4) 3_665 .
O1 Ag2 Ag1 50.70(4) . .
O1 Ag2 Ag3 129.30(4) 3_665 .
O1 Ag2 Ag3 129.30(4) . .
O1 Ag2 Ag3 129.30(4) 2_655 .
O1 Ag2 O1 84.15(7) 3_665 .
O1 Ag2 O1 84.16(7) 3_665 2_655
O1 Ag2 O1 84.16(7) . 2_655
O1 Ag2 O2 87.91(6) 2_655 2_655
O1 Ag2 O2 166.21(6) . 2_655
O1 Ag2 O2 87.91(6) . .
O1 Ag2 O2 166.21(6) 3_665 .
O1 Ag2 O2 166.21(6) 2_655 3_665
O1 Ag2 O2 106.27(6) . 3_665
O1 Ag2 O2 106.27(6) 2_655 .
O1 Ag2 O2 87.91(6) 3_665 3_665
O1 Ag2 O2 106.27(6) 3_665 2_655
O2 Ag2 Ag1 129.74(4) 2_655 .
O2 Ag2 Ag1 129.74(4) . .
O2 Ag2 Ag1 129.74(4) 3_665 .
O2 Ag2 Ag3 50.26(4) . .
O2 Ag2 Ag3 50.26(4) 2_655 .
O2 Ag2 Ag3 50.26(4) 3_665 .
O2 Ag2 O2 83.51(7) 3_665 2_655
O2 Ag2 O2 83.51(6) . 2_655
O2 Ag2 O2 83.51(6) 3_665 .
Ag2 Ag3 Ag4 180.0 . .
O2 Ag3 Ag2 50.70(4) 2_655 .
O2 Ag3 Ag2 50.70(4) . .
O2 Ag3 Ag2 50.70(4) 3_665 .
O2 Ag3 Ag4 129.30(4) 2_655 .
O2 Ag3 Ag4 129.30(4) . .
O2 Ag3 Ag4 129.30(4) 3_665 .
O2 Ag3 O2 84.16(7) 3_665 .
O2 Ag3 O2 84.15(7) . 2_655
O2 Ag3 O2 84.15(7) 3_665 2_655
O3 Ag3 Ag2 131.22(4) 2_655 .
O3 Ag3 Ag2 131.22(4) . .
O3 Ag3 Ag2 131.22(4) 3_665 .
O3 Ag3 Ag4 48.78(4) 2_655 .
O3 Ag3 Ag4 48.78(4) . .
O3 Ag3 Ag4 48.78(4) 3_665 .
O3 Ag3 O2 173.06(6) 2_655 2_655
O3 Ag3 O2 93.05(6) . 2_655
O3 Ag3 O2 101.91(6) 3_665 2_655
O3 Ag3 O2 93.04(6) 2_655 3_665
O3 Ag3 O2 101.91(6) . 3_665
O3 Ag3 O2 93.04(6) 3_665 .
O3 Ag3 O2 173.06(6) . .
O3 Ag3 O2 173.06(6) 3_665 3_665
O3 Ag3 O2 101.91(6) 2_655 .
O3 Ag3 O3 81.30(6) 2_655 .
O3 Ag3 O3 81.30(6) 2_655 3_665
O3 Ag3 O3 81.30(6) . 3_665
Ag5 Ag4 Ag3 180.0 . .
O3 Ag4 Ag3 49.25(4) . .
O3 Ag4 Ag3 49.25(4) 2_655 .
O3 Ag4 Ag3 49.25(4) 3_665 .
O3 Ag4 Ag5 130.75(4) 3_665 .
O3 Ag4 Ag5 130.75(4) 2_655 .
O3 Ag4 Ag5 130.75(4) . .
O3 Ag4 O3 82.01(6) . 2_655
O3 Ag4 O3 82.01(6) 2_655 3_665
O3 Ag4 O3 82.01(6) . 3_665
O3 Ag4 O4 105.68(6) 3_665 2_655
O3 Ag4 O4 166.87(6) . .
O3 Ag4 O4 88.47(6) 2_655 3_665
O3 Ag4 O4 105.68(6) . 3_665
O3 Ag4 O4 88.47(6) 3_665 .
O3 Ag4 O4 105.68(6) 2_655 .
O3 Ag4 O4 166.87(6) 3_665 3_665
O3 Ag4 O4 166.87(6) 2_655 2_655
O3 Ag4 O4 88.47(6) . 2_655
O4 Ag4 Ag3 128.44(4) 2_655 .
O4 Ag4 Ag3 128.44(4) 3_665 .
O4 Ag4 Ag3 128.44(4) . .
O4 Ag4 Ag5 51.56(4) . .
O4 Ag4 Ag5 51.56(4) 3_665 .
O4 Ag4 Ag5 51.56(4) 2_655 .
O4 Ag4 O4 85.43(6) . 3_665
O4 Ag4 O4 85.43(6) . 2_655
O4 Ag4 O4 85.42(6) 3_665 2_655
Ag6 Ag5 Ag4 180.0 . .
O4 Ag5 Ag4 51.89(4) 2_655 .
O4 Ag5 Ag4 51.88(4) . .
O4 Ag5 Ag4 51.89(4) 3_665 .
O4 Ag5 Ag6 128.11(4) 3_665 .
O4 Ag5 Ag6 128.11(4) 2_655 .
O4 Ag5 Ag6 128.12(4) . .
O4 Ag5 O4 85.90(6) 3_665 .
O4 Ag5 O4 85.90(6) . 2_655
O4 Ag5 O4 85.90(6) 3_665 2_655
O4 Ag5 O5 85.88(6) . 2_655
O4 Ag5 O5 103.66(6) 3_665 2_655
O4 Ag5 O5 85.88(6) 2_655 3_665
O4 Ag5 O5 103.66(6) . 3_665
O4 Ag5 O5 103.66(6) 2_655 .
O4 Ag5 O5 166.90(6) . .
O4 Ag5 O5 85.88(6) 3_665 .
O4 Ag5 O5 166.90(6) 3_665 3_665
O4 Ag5 O5 166.90(6) 2_655 2_655
O5 Ag5 Ag4 127.93(5) . .
O5 Ag5 Ag4 127.93(5) 2_655 .
O5 Ag5 Ag4 127.93(5) 3_665 .
O5 Ag5 Ag6 52.07(5) 2_655 .
O5 Ag5 Ag6 52.07(5) . .
O5 Ag5 Ag6 52.07(5) 3_665 .
O5 Ag5 O5 86.17(7) 2_655 .
O5 Ag5 O5 86.17(7) 2_655 3_665
O5 Ag5 O5 86.17(7) . 3_665
O5' Ag5 Ag4 128.6(5) . .
O5' Ag5 Ag4 128.6(5) 2_655 .
O5' Ag5 Ag4 128.6(5) 3_665 .
O5' Ag5 Ag6 51.4(5) . .
O5' Ag5 Ag6 51.4(5) 2_655 .
O5' Ag5 Ag6 51.4(5) 3_665 .
O5' Ag5 O4 147.8(5) 3_665 .
O5' Ag5 O4 147.8(5) . 2_655
O5' Ag5 O4 120.5(5) 2_655 2_655
O5' Ag5 O4 78.6(5) 3_665 2_655
O5' Ag5 O4 78.6(5) . 3_665
O5' Ag5 O4 120.5(5) . .
O5' Ag5 O4 78.6(5) 2_655 .
O5' Ag5 O4 120.5(5) 3_665 3_665
O5' Ag5 O4 147.8(5) 2_655 3_665
O5' Ag5 O5 44.8(5) 3_665 .
O5' Ag5 O5 103.4(5) . 3_665
O5' Ag5 O5 44.8(5) 2_655 3_665
O5' Ag5 O5 47.6(5) 3_665 3_665
O5' Ag5 O5 103.4(5) 2_655 .
O5' Ag5 O5 44.8(5) . 2_655
O5' Ag5 O5 47.6(5) 2_655 2_655
O5' Ag5 O5 47.6(5) . .
O5' Ag5 O5 103.4(5) 3_665 2_655
O5' Ag5 O5' 85.1(8) . 2_655
O5' Ag5 O5' 85.1(8) . 3_665
O5' Ag5 O5' 85.1(8) 2_655 3_665
Ag5 Ag6 Ag7 180.0 . .
O6 Ag6 Ag5 130.09(4) . .
O6 Ag6 Ag5 130.09(4) 2_655 .
O6 Ag6 Ag5 130.09(4) 3_665 .
O6 Ag6 Ag7 49.91(4) . .
O6 Ag6 Ag7 49.91(4) 3_665 .
O6 Ag6 Ag7 49.91(4) 2_655 .
O6 Ag6 O6 82.99(7) . 3_665
O6 Ag6 O6 82.99(7) . 2_655
O6 Ag6 O6 82.99(7) 3_665 2_655
O6 Ag6 O5 89.80(7) . 2_655
O6 Ag6 O5 100.58(7) 3_665 3_665
O6 Ag6 O5 171.54(6) . 3_665
O6 Ag6 O5 100.58(7) . .
O6 Ag6 O5 89.80(7) 3_665 .
O6 Ag6 O5 171.54(6) 2_655 .
O6 Ag6 O5 171.54(6) 3_665 2_655
O6 Ag6 O5 100.58(7) 2_655 2_655
O6 Ag6 O5 89.80(7) 2_655 3_665
O5 Ag6 Ag5 52.75(5) 3_665 .
O5 Ag6 Ag5 52.75(5) . .
O5 Ag6 Ag5 52.75(5) 2_655 .
O5 Ag6 Ag7 127.25(5) 3_665 .
O5 Ag6 Ag7 127.25(5) . .
O5 Ag6 Ag7 127.25(5) 2_655 .
O5 Ag6 O5 87.16(7) . 3_665
O5 Ag6 O5 87.16(7) 2_655 3_665
O5 Ag6 O5 87.16(7) 2_655 .
O5' Ag6 Ag5 49.8(5) . .
O5' Ag6 Ag5 49.8(5) 2_655 .
O5' Ag6 Ag5 49.8(5) 3_665 .
O5' Ag6 Ag7 130.2(5) 2_655 .
O5' Ag6 Ag7 130.2(5) . .
O5' Ag6 Ag7 130.2(5) 3_665 .
O5' Ag6 O6 80.6(5) . .
O5' Ag6 O6 80.6(5) 3_665 3_665
O5' Ag6 O6 141.1(5) . 2_655
O5' Ag6 O6 129.2(5) 2_655 .
O5' Ag6 O6 129.2(5) . 3_665
O5' Ag6 O6 141.1(5) 2_655 3_665
O5' Ag6 O6 141.1(5) 3_665 .
O5' Ag6 O6 80.6(5) 2_655 2_655
O5' Ag6 O6 129.2(5) 3_665 2_655
O5' Ag6 O5 47.4(5) 3_665 3_665
O5' Ag6 O5 44.6(5) 3_665 .
O5' Ag6 O5 44.6(5) 2_655 3_665
O5' Ag6 O5 102.6(5) . 3_665
O5' Ag6 O5 102.6(5) 2_655 .
O5' Ag6 O5 44.6(5) . 2_655
O5' Ag6 O5 47.4(5) 2_655 2_655
O5' Ag6 O5 47.4(5) . .
O5' Ag6 O5 102.6(5) 3_665 2_655
O5' Ag6 O5' 82.9(8) . 2_655
O5' Ag6 O5' 82.9(8) . 3_665
O5' Ag6 O5' 82.9(8) 2_655 3_665
Ag8 Ag7 Ag6 180.0 . .
O6 Ag7 Ag6 49.44(4) . .
O6 Ag7 Ag6 49.43(4) 2_655 .
O6 Ag7 Ag6 49.43(4) 3_665 .
O6 Ag7 Ag8 130.56(4) . .
O6 Ag7 Ag8 130.57(4) 2_655 .
O6 Ag7 Ag8 130.57(4) 3_665 .
O6 Ag7 O6 82.28(7) . 2_655
O6 Ag7 O6 82.28(7) 2_655 3_665
O6 Ag7 O6 82.28(7) . 3_665
O6 Ag7 O7 113.92(6) 3_665 2_655
O6 Ag7 O7 83.75(6) 2_655 2_655
O6 Ag7 O7 113.92(6) . 3_665
O6 Ag7 O7 83.74(6) . .
O6 Ag7 O7 113.92(6) 2_655 .
O6 Ag7 O7 156.90(6) 3_665 .
O6 Ag7 O7 156.90(6) 2_655 3_665
O6 Ag7 O7 156.90(6) . 2_655
O6 Ag7 O7 83.75(6) 3_665 3_665
O7 Ag7 Ag6 128.57(4) 2_655 .
O7 Ag7 Ag6 128.57(4) 3_665 .
O7 Ag7 Ag6 128.57(4) . .
O7 Ag7 Ag8 51.43(4) . .
O7 Ag7 Ag8 51.43(4) 3_665 .
O7 Ag7 Ag8 51.43(4) 2_655 .
O7 Ag7 O7 85.23(6) . 3_665
O7 Ag7 O7 85.24(6) . 2_655
O7 Ag7 O7 85.23(6) 3_665 2_655
Ag9 Ag8 Ag7 180.0 . .
O7 Ag8 Ag7 51.44(4) . .
O7 Ag8 Ag7 51.44(4) 3_665 .
O7 Ag8 Ag7 51.44(4) 2_655 .
O7 Ag8 Ag9 128.56(4) . .
O7 Ag8 Ag9 128.56(4) 3_665 .
O7 Ag8 Ag9 128.56(4) 2_655 .
O7 Ag8 O7 85.25(6) . 3_665
O7 Ag8 O7 85.25(6) . 2_655
O7 Ag8 O7 85.25(6) 3_665 2_655
O8 Ag8 Ag7 127.59(4) . .
O8 Ag8 Ag7 127.59(4) 3_665 .
O8 Ag8 Ag7 127.59(4) 2_655 .
O8 Ag8 Ag9 52.41(4) 2_655 .
O8 Ag8 Ag9 52.41(4) 3_665 .
O8 Ag8 Ag9 52.41(4) . .
O8 Ag8 O7 168.59(6) . 2_655
O8 Ag8 O7 86.91(6) 3_665 3_665
O8 Ag8 O7 168.59(6) 2_655 3_665
O8 Ag8 O7 86.92(6) . .
O8 Ag8 O7 102.37(6) 2_655 .
O8 Ag8 O7 102.37(6) 3_665 2_655
O8 Ag8 O7 86.91(6) 2_655 2_655
O8 Ag8 O7 168.59(6) 3_665 .
O8 Ag8 O7 102.37(6) . 3_665
O8 Ag8 O8 86.67(6) . 2_655
O8 Ag8 O8 86.67(6) . 3_665
O8 Ag8 O8 86.67(6) 2_655 3_665
Ag8 Ag9 Ag10 180.0 . .
O8 Ag9 Ag8 52.11(4) 3_665 .
O8 Ag9 Ag8 52.11(4) 2_655 .
O8 Ag9 Ag8 52.11(4) . .
O8 Ag9 Ag10 127.89(4) 2_655 .
O8 Ag9 Ag10 127.89(4) . .
O8 Ag9 Ag10 127.89(4) 3_665 .
O8 Ag9 O8 86.23(6) . 3_665
O8 Ag9 O8 86.23(6) 2_655 3_665
O8 Ag9 O8 86.23(6) . 2_655
O9 Ag9 Ag8 130.41(4) 2_655 .
O9 Ag9 Ag8 130.42(4) . .
O9 Ag9 Ag8 130.41(4) 3_665 .
O9 Ag9 Ag10 49.59(4) 2_655 .
O9 Ag9 Ag10 49.59(4) 3_665 .
O9 Ag9 Ag10 49.58(4) . .
O9 Ag9 O8 84.96(6) 2_655 2_655
O9 Ag9 O8 161.28(6) 3_665 .
O9 Ag9 O8 84.96(6) . .
O9 Ag9 O8 109.59(6) 2_655 .
O9 Ag9 O8 161.28(6) . 2_655
O9 Ag9 O8 84.96(6) 3_665 3_665
O9 Ag9 O8 109.59(6) . 3_665
O9 Ag9 O8 109.59(6) 3_665 2_655
O9 Ag9 O8 161.28(6) 2_655 3_665
O9 Ag9 O9 82.50(7) 2_655 .
O9 Ag9 O9 82.51(7) 2_655 3_665
O9 Ag9 O9 82.50(7) . 3_665
Ag9 Ag10 Ag9 180.0 . 16_654
O9 Ag10 Ag9 130.51(4) 16_654 .
O9 Ag10 Ag9 49.49(4) 2_655 .
O9 Ag10 Ag9 49.49(4) 3_665 .
O9 Ag10 Ag9 130.51(4) 18_544 .
O9 Ag10 Ag9 49.50(4) . .
O9 Ag10 Ag9 130.51(4) 17_554 .
O9 Ag10 Ag9 49.49(4) 16_654 16_654
O9 Ag10 Ag9 130.51(4) 2_655 16_654
O9 Ag10 Ag9 130.51(4) 3_665 16_654
O9 Ag10 Ag9 49.49(4) 18_544 16_654
O9 Ag10 Ag9 130.50(4) . 16_654
O9 Ag10 Ag9 49.49(4) 17_554 16_654
O9 Ag10 O9 82.37(7) 2_655 3_665
O9 Ag10 O9 179.993(1) . 16_654
O9 Ag10 O9 82.36(7) 17_554 16_654
O9 Ag10 O9 97.63(7) 18_544 2_655
O9 Ag10 O9 82.36(7) 18_544 16_654
O9 Ag10 O9 97.63(7) 18_544 .
O9 Ag10 O9 82.36(7) 18_544 17_554
O9 Ag10 O9 97.63(7) . 17_554
O9 Ag10 O9 82.37(7) . 3_665
O9 Ag10 O9 97.64(7) 17_554 3_665
O9 Ag10 O9 97.64(7) 16_654 3_665
O9 Ag10 O9 180.00(11) 18_544 3_665
O9 Ag10 O9 82.37(7) . 2_655
O9 Ag10 O9 179.996(1) 17_554 2_655
O9 Ag10 O9 97.63(7) 16_654 2_655
Ag2 O1 Ag1 78.94(6) . .
N10 O1 Ag1 116.74(15) . .
N10 O1 Ag2 118.24(15) . .
Ag3 O2 Ag2 79.04(6) . .
N11 O2 Ag2 120.29(15) . .
N11 O2 Ag3 114.78(14) . .
Ag4 O3 Ag3 81.97(5) . .
N12 O3 Ag3 117.88(14) . .
N12 O3 Ag4 120.34(14) . .
Ag5 O4 Ag4 76.56(5) . .
N13 O4 Ag4 120.71(14) . .
N13 O4 Ag5 116.99(14) . .
Ag6 O6 Ag7 80.65(6) . .
N15 O6 Ag6 114.90(14) . .
N15 O6 Ag7 119.02(15) . .
Ag8 O7 Ag7 77.13(5) . .
N16 O7 Ag7 114.06(14) . .
N16 O7 Ag8 121.62(14) . .
Ag8 O8 Ag9 75.48(5) . .
N17 O8 Ag8 120.38(14) . .
N17 O8 Ag9 116.91(14) . .
Ag9 O9 Ag10 80.92(6) . .
N18 O9 Ag9 116.40(15) . .
N18 O9 Ag10 117.02(15) . .
O1 N10 C19 120.4(2) . .
O1 N10 C23 118.8(2) . .
C19 N10 C23 120.8(2) . .
O2 N11 C24 120.7(2) . .
O2 N11 C28 118.4(2) . .
C28 N11 C24 120.9(2) . .
O3 N12 C29 118.3(2) . .
O3 N12 C33 120.4(2) . .
C29 N12 C33 121.3(2) . .
O4 N13 C34 120.6(2) . .
O4 N13 C38 118.6(2) . .
C34 N13 C38 120.8(2) . .
O6 N15 C44 119.2(2) . .
C48 N15 O6 118.8(2) . .
C48 N15 C44 122.1(2) . .
O7 N16 C49 120.4(2) . .
O7 N16 C53 118.8(2) . .
C49 N16 C53 120.8(2) . .
O8 N17 C54 118.5(2) . .
O8 N17 C58 120.4(2) . .
C58 N17 C54 121.1(2) . .
O9 N18 C59 118.8(2) . .
O9 N18 C63 120.1(2) . .
C59 N18 C63 121.1(2) . .
N10 C19 H19 119.9 . .
N10 C19 C20 120.3(3) . .
C20 C19 H19 119.9 . .
C19 C20 H20 120.0 . .
C19 C20 C21 120.1(3) . .
C21 C20 H20 120.0 . .
C20 C21 H21 118.4 . .
C20 C21 C22 118.6(3) . .
C22 C21 H21 123.0 . .
C21 C22 H22 120.0 . .
C23 C22 C21 120.0(3) . .
C23 C22 H22 120.0 . .
N10 C23 C22 120.3(3) . .
N10 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
N11 C24 H24 120.0 . .
N11 C24 C25 119.9(3) . .
C25 C24 H24 120.0 . .
C24 C25 H25 120.0 . .
C24 C25 C26 120.1(3) . .
C26 C25 H25 120.0 . .
C25 C26 H26 120.6 . .
C25 C26 C27 118.8(3) . .
C27 C26 H26 120.6 . .
C26 C27 H27 120.1 . .
C28 C27 C26 119.9(3) . .
C28 C27 H27 120.1 . .
N11 C28 C27 120.4(3) . .
N11 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
N12 C29 H29 120.0 . .
N12 C29 C30 120.0(2) . .
C30 C29 H29 120.0 . .
C29 C30 H30 119.9 . .
C29 C30 C31 120.2(3) . .
C31 C30 H30 119.9 . .
C30 C31 H31 120.7 . .
C30 C31 C32 118.6(3) . .
C32 C31 H31 120.7 . .
C31 C32 H32 119.8 . .
C33 C32 C31 120.3(3) . .
C33 C32 H32 119.8 . .
N12 C33 C32 119.5(2) . .
N12 C33 H33 120.2 . .
C32 C33 H33 120.2 . .
N13 C34 H34 120.1 . .
N13 C34 C35 119.9(3) . .
C35 C34 H34 120.1 . .
C34 C35 H35 119.8 . .
C34 C35 C36 120.4(3) . .
C36 C35 H35 119.8 . .
C35 C36 H36 120.6 . .
C35 C36 C37 118.7(3) . .
C37 C36 H36 120.6 . .
C36 C37 H37 120.2 . .
C38 C37 C36 119.6(3) . .
C38 C37 H37 120.2 . .
N13 C38 C37 120.6(3) . .
N13 C38 H38 119.7 . .
C37 C38 H38 119.7 . .
Ag6 O5 Ag5 75.18(6) . .
N14 O5 Ag5 114.17(17) . .
N14 O5 Ag6 115.94(17) . .
O5 N14 C39 118.7(3) . .
O5 N14 C43 120.4(3) . .
C43 N14 C39 120.9(3) . .
N14 C39 H39 120.0 . .
N14 C39 C40 120.0(3) . .
C40 C39 H39 120.0 . .
C39 C40 H40 119.8 . .
C39 C40 C41 120.4(4) . .
C41 C40 H40 119.8 . .
C40 C41 H41 120.8 . .
C40 C41 C42 118.3(4) . .
C42 C41 H41 120.8 . .
C41 C42 H42 120.1 . .
C43 C42 C41 119.8(3) . .
C43 C42 H42 120.1 . .
N14 C43 C42 120.5(3) . .
N14 C43 H43 119.7 . .
C42 C43 H43 119.7 . .
Ag5 O5' Ag6 78.8(6) . .
N14' O5' Ag5 117.1(17) . .
N14' O5' Ag6 115.9(19) . .
O5' N14' C39' 122(2) . .
C43' N14' O5' 118(2) . .
C43' N14' C39' 120(2) . .
N14' C39' H39' 120.5 . .
N14' C39' C40' 119(2) . .
C40' C39' H39' 120.5 . .
C39' C40' H40' 119.8 . .
C39' C40' C41' 120(3) . .
C41' C40' H40' 119.8 . .
C40' C41' H41' 121.3 . .
C40' C41' C42' 117(3) . .
C42' C41' H41' 121.3 . .
C41' C42' H42' 121.7 . .
C43' C42' C41' 117(3) . .
C43' C42' H42' 121.7 . .
N14' C43' C42' 118(2) . .
N14' C43' H43' 121.0 . .
C42' C43' H43' 121.0 . .
N15 C44 H44 120.7 . .
N15 C44 C45 118.6(3) . .
C45 C44 H44 120.7 . .
C44 C45 H45 119.8 . .
C46 C45 C44 120.4(3) . .
C46 C45 H45 119.8 . .
C45 C46 H46 120.8 . .
C47 C46 C45 118.5(3) . .
C47 C46 H46 120.8 . .
C46 C47 H47 119.7 . .
C48 C47 C46 120.6(3) . .
C48 C47 H47 119.7 . .
N15 C48 C47 119.8(3) . .
N15 C48 H48 120.1 . .
C47 C48 H48 120.1 . .
N16 C49 H49 120.0 . .
N16 C49 C50 120.1(3) . .
C50 C49 H49 120.0 . .
C49 C50 H50 119.8 . .
C49 C50 C51 120.5(3) . .
C51 C50 H50 119.8 . .
C50 C51 H51 120.7 . .
C52 C51 C50 118.5(3) . .
C52 C51 H51 120.7 . .
C51 C52 H52 120.1 . .
C51 C52 C53 119.8(3) . .
C53 C52 H52 120.1 . .
N16 C53 C52 120.3(3) . .
N16 C53 H53 119.9 . .
C52 C53 H53 119.9 . .
N17 C54 H54 120.0 . .
N17 C54 C55 120.0(3) . .
C55 C54 H54 120.0 . .
C54 C55 H55 119.8 . .
C54 C55 C56 120.5(3) . .
C56 C55 H55 119.8 . .
C55 C56 H56 120.8 . .
C57 C56 C55 118.3(3) . .
C57 C56 H56 120.8 . .
C56 C57 H57 119.8 . .
C58 C57 C56 120.4(3) . .
C58 C57 H57 119.8 . .
N17 C58 C57 119.8(3) . .
N17 C58 H58 120.1 . .
C57 C58 H58 120.1 . .
N18 C59 H59 120.0 . .
N18 C59 C60 120.0(3) . .
C60 C59 H59 120.0 . .
C59 C60 H60 119.8 . .
C59 C60 C61 120.5(3) . .
C61 C60 H60 119.8 . .
C60 C61 H61 120.8 . .
C60 C61 C62 118.4(3) . .
C62 C61 H61 120.8 . .
C61 C62 H62 119.9 . .
C63 C62 C61 120.2(3) . .
C63 C62 H62 119.9 . .
N18 C63 C62 119.8(3) . .
N18 C63 H63 120.1 . .
C62 C63 H63 120.1 . .
F65 C64 S68 108.8(2) . .
F66 C64 F65 107.5(3) . .
F66 C64 S68 112.0(2) . .
F67 C64 F65 108.6(3) . .
F67 C64 F66 108.2(3) . .
F67 C64 S68 111.6(2) . .
O69 S68 C64 103.34(14) . .
O69 S68 O70 118.30(14) . .
O69 S68 N71 109.41(14) . .
O70 S68 C64 103.51(14) . .
O70 S68 N71 115.77(13) . .
N71 S68 C64 104.52(14) . .
S68 N71 S72 124.4(3) . .
S72' N71 S68 122.4(5) . .
S72' N71 S72 2.4(7) . .
N71 S72 C75 102.3(4) . .
O73 S72 N71 109.2(5) . .
O73 S72 C75 102.9(4) . .
O74 S72 N71 116.3(6) . .
O74 S72 O73 118.2(6) . .
O74 S72 C75 105.8(5) . .
F76 C75 S72 108.9(9) . .
F76 C75 F78 106.9(9) . .
F77 C75 S72 111.1(4) . .
F77 C75 F76 109.5(9) . .
F77 C75 F78 109.2(5) . .
F78 C75 S72 111.2(4) . .
N71 S72' C75' 110.6(9) . .
O73' S72' N71 105.6(11) . .
O73' S72' O74' 117.2(13) . .
O73' S72' C75' 103.4(9) . .
O74' S72' N71 115.6(12) . .
O74' S72' C75' 103.9(10) . .
F76' C75' S72' 109.9(17) . .
F77' C75' S72' 111.7(9) . .
F77' C75' F76' 109.4(19) . .
F77' C75' F78' 103.4(8) . .
F78' C75' S72' 113.5(8) . .
F78' C75' F76' 108.8(19) . .
F80 C79 F81 108.1(3) . .
F80 C79 F82 108.9(3) . .
F80 C79 S83 109.3(2) . .
F81 C79 S83 110.9(2) . .
F82 C79 F81 107.8(3) . .
F82 C79 S83 111.8(2) . .
O84 S83 C79 103.36(14) . .
O84 S83 O85 118.59(13) . .
O84 S83 N86 108.79(13) . .
O85 S83 C79 103.90(14) . .
O85 S83 N86 116.25(13) . .
N86 S83 C79 103.86(14) . .
S83 N86 S87 123.73(15) . .
N86 S87 C90 104.04(13) . .
O88 S87 N86 107.54(13) . .
O88 S87 C90 103.08(13) . .
O89 S87 N86 117.05(13) . .
O89 S87 O88 118.53(13) . .
O89 S87 C90 104.56(14) . .
F91 C90 S87 110.9(2) . .
F92 C90 S87 112.4(2) . .
F92 C90 F91 108.6(3) . .
F92 C90 F93 108.5(2) . .
F93 C90 S87 108.8(2) . .
F93 C90 F91 107.4(2) . .
F95 C94 S98 110.6(2) . .
F96 C94 F95 108.0(2) . .
F96 C94 S98 112.0(2) . .
F97 C94 F95 108.5(2) . .
F97 C94 F96 107.9(2) . .
F97 C94 S98 109.7(2) . .
O99 S98 C94 104.12(13) . .
O99 S98 N101 115.20(13) . .
O100 S98 C94 102.98(13) . .
O100 S98 O99 118.91(13) . .
O100 S98 N101 109.31(13) . .
N101 S98 C94 104.30(14) . .
S98 N101 S102 121.79(15) . .
N101 S102 C105 97.39(14) . .
O103 S102 N101 114.23(15) . .
O103 S102 C105 104.13(16) . .
O104 S102 N101 115.57(15) . .
O104 S102 O103 116.62(19) . .
O104 S102 C105 105.71(17) . .
F106 C105 S102 108.0(2) . .
F107 C105 S102 112.4(2) . .
F107 C105 F106 107.4(3) . .
F107 C105 F108 108.4(3) . .
F108 C105 S102 111.8(2) . .
F108 C105 F106 108.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag2 3.1508(3) .
Ag1 Ag2 3.1508(3) 16_655
Ag1 O1 2.4842(19) 18_545
Ag1 O1 2.4842(19) 16_655
Ag1 O1 2.4842(19) .
Ag1 O1 2.4843(19) 3_665
Ag1 O1 2.4843(19) 17
Ag1 O1 2.4843(19) 2_655
Ag2 Ag3 3.1598(4) .
Ag2 O1 2.4722(19) 2_655
Ag2 O1 2.4722(19) 3_665
Ag2 O1 2.4723(19) .
Ag2 O2 2.4905(19) 3_665
Ag2 O2 2.4905(19) 2_655
Ag2 O2 2.4905(19) .
Ag3 Ag4 3.2238(4) .
Ag3 O2 2.4748(19) 3_665
Ag3 O2 2.4748(19) .
Ag3 O2 2.4748(19) 2_655
Ag3 O3 2.4665(18) 2_655
Ag3 O3 2.4666(18) .
Ag3 O3 2.4665(18) 3_665
Ag4 Ag5 3.0803(4) .
Ag4 O3 2.4490(18) 3_665
Ag4 O3 2.4489(18) .
Ag4 O3 2.4490(18) 2_655
Ag4 O4 2.4918(18) 2_655
Ag4 O4 2.4918(18) 3_665
Ag4 O4 2.4917(19) .
Ag5 Ag6 3.0522(4) .
Ag5 O4 2.4806(19) 3_665
Ag5 O4 2.4807(19) 2_655
Ag5 O4 2.4807(19) .
Ag5 O5 2.513(2) 2_655
Ag5 O5 2.513(2) .
Ag5 O5 2.513(2) 3_665
Ag5 O5' 2.38(2) .
Ag5 O5' 2.38(2) 2_655
Ag5 O5' 2.38(2) 3_665
Ag6 Ag7 3.1935(4) .
Ag6 O6 2.4587(19) .
Ag6 O6 2.4586(19) 3_665
Ag6 O6 2.4586(19) 2_655
Ag6 O5 2.490(2) .
Ag6 O5 2.490(2) 3_665
Ag6 O5 2.490(2) 2_655
Ag6 O5' 2.43(2) .
Ag6 O5' 2.43(2) 2_655
Ag6 O5' 2.43(2) 3_665
Ag7 Ag8 3.1039(4) .
Ag7 O6 2.4762(19) 3_665
Ag7 O6 2.4762(19) .
Ag7 O6 2.4762(19) 2_655
Ag7 O7 2.4898(19) 2_655
Ag7 O7 2.4898(19) 3_665
Ag7 O7 2.4897(19) .
Ag8 Ag9 3.0418(4) .
Ag8 O7 2.4893(18) 2_655
Ag8 O7 2.4893(18) 3_665
Ag8 O7 2.4894(18) .
Ag8 O8 2.4799(19) .
Ag8 O8 2.4798(19) 2_655
Ag8 O8 2.4798(19) 3_665
Ag9 Ag10 3.2032(3) .
Ag9 O8 2.4900(19) 3_665
Ag9 O8 2.4900(19) 2_655
Ag9 O8 2.4899(19) .
Ag9 O9 2.4664(19) 2_655
Ag9 O9 2.4665(19) .
Ag9 O9 2.4664(19) 3_665
Ag10 Ag9 3.2036(3) 16_654
Ag10 O9 2.4698(19) 3_665
Ag10 O9 2.4698(19) 2_655
Ag10 O9 2.4699(19) 16_654
Ag10 O9 2.4700(19) 18_544
Ag10 O9 2.4697(19) .
Ag10 O9 2.4699(19) 17_554
O1 N10 1.332(3) .
O2 N11 1.334(3) .
O3 N12 1.329(3) .
O4 N13 1.332(3) .
O6 N15 1.345(3) .
O7 N16 1.335(3) .
O8 N17 1.332(3) .
O9 N18 1.329(3) .
N10 C19 1.346(3) .
N10 C23 1.351(3) .
N11 C24 1.350(4) .
N11 C28 1.349(3) .
N12 C29 1.351(3) .
N12 C33 1.357(3) .
N13 C34 1.347(3) .
N13 C38 1.348(3) .
N15 C44 1.350(4) .
N15 C48 1.343(4) .
N16 C49 1.348(3) .
N16 C53 1.352(3) .
N17 C54 1.357(3) .
N17 C58 1.350(4) .
N18 C59 1.350(4) .
N18 C63 1.351(4) .
C19 H19 0.9300 .
C19 C20 1.375(4) .
C20 H20 0.9300 .
C20 C21 1.381(4) .
C21 H21 0.9196 .
C21 C22 1.383(4) .
C22 H22 0.9300 .
C22 C23 1.373(4) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C24 C25 1.378(4) .
C25 H25 0.9300 .
C25 C26 1.381(4) .
C26 H26 0.9300 .
C26 C27 1.383(4) .
C27 H27 0.9300 .
C27 C28 1.371(4) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C29 C30 1.379(4) .
C30 H30 0.9300 .
C30 C31 1.381(4) .
C31 H31 0.9300 .
C31 C32 1.388(4) .
C32 H32 0.9300 .
C32 C33 1.378(4) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C34 C35 1.376(4) .
C35 H35 0.9300 .
C35 C36 1.377(4) .
C36 H36 0.9300 .
C36 C37 1.384(4) .
C37 H37 0.9300 .
C37 C38 1.372(4) .
C38 H38 0.9300 .
O5 N14 1.335(3) .
N14 C39 1.354(4) .
N14 C43 1.346(4) .
C39 H39 0.9300 .
C39 C40 1.376(5) .
C40 H40 0.9300 .
C40 C41 1.379(5) .
C41 H41 0.9300 .
C41 C42 1.396(5) .
C42 H42 0.9300 .
C42 C43 1.372(5) .
C43 H43 0.9300 .
O5' N14' 1.344(17) .
N14' C39' 1.344(18) .
N14' C43' 1.341(18) .
C39' H39' 0.9300 .
C39' C40' 1.378(19) .
C40' H40' 0.9300 .
C40' C41' 1.38(2) .
C41' H41' 0.9300 .
C41' C42' 1.40(2) .
C42' H42' 0.9300 .
C42' C43' 1.38(2) .
C43' H43' 0.9300 .
C44 H44 0.9300 .
C44 C45 1.388(4) .
C45 H45 0.9300 .
C45 C46 1.383(5) .
C46 H46 0.9300 .
C46 C47 1.372(5) .
C47 H47 0.9300 .
C47 C48 1.367(4) .
C48 H48 0.9300 .
C49 H49 0.9300 .
C49 C50 1.370(4) .
C50 H50 0.9300 .
C50 C51 1.384(4) .
C51 H51 0.9300 .
C51 C52 1.380(4) .
C52 H52 0.9300 .
C52 C53 1.380(4) .
C53 H53 0.9300 .
C54 H54 0.9300 .
C54 C55 1.370(4) .
C55 H55 0.9300 .
C55 C56 1.385(4) .
C56 H56 0.9300 .
C56 C57 1.384(4) .
C57 H57 0.9300 .
C57 C58 1.379(4) .
C58 H58 0.9300 .
C59 H59 0.9300 .
C59 C60 1.371(4) .
C60 H60 0.9300 .
C60 C61 1.377(4) .
C61 H61 0.9300 .
C61 C62 1.386(4) .
C62 H62 0.9300 .
C62 C63 1.375(4) .
C63 H63 0.9300 .
C64 F65 1.331(4) .
C64 F66 1.331(4) .
C64 F67 1.328(4) .
C64 S68 1.838(3) .
S68 O69 1.426(2) .
S68 O70 1.434(2) .
S68 N71 1.578(3) .
N71 S72 1.634(9) .
N71 S72' 1.473(19) .
S72 O73 1.428(6) .
S72 O74 1.422(7) .
S72 C75 1.838(7) .
C75 F76 1.338(11) .
C75 F77 1.324(6) .
C75 F78 1.346(6) .
S72' O73' 1.418(13) .
S72' O74' 1.426(13) .
S72' C75' 1.833(12) .
C75' F76' 1.333(15) .
C75' F77' 1.328(11) .
C75' F78' 1.330(11) .
C79 F80 1.321(4) .
C79 F81 1.338(4) .
C79 F82 1.333(4) .
C79 S83 1.839(3) .
S83 O84 1.427(2) .
S83 O85 1.428(2) .
S83 N86 1.578(2) .
N86 S87 1.580(2) .
S87 O88 1.432(2) .
S87 O89 1.424(2) .
S87 C90 1.836(3) .
C90 F91 1.333(4) .
C90 F92 1.314(4) .
C90 F93 1.329(3) .
C94 F95 1.331(3) .
C94 F96 1.331(3) .
C94 F97 1.320(4) .
C94 S98 1.836(3) .
S98 O99 1.432(2) .
S98 O100 1.428(2) .
S98 N101 1.571(2) .
N101 S102 1.581(2) .
S102 O103 1.428(3) .
S102 O104 1.410(3) .
S102 C105 1.813(3) .
C105 F106 1.327(4) .
C105 F107 1.309(4) .
C105 F108 1.312(4) .
