#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:46:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179989 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/83/7028390.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_7028390
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_absolute_configuration ad
_chemical_formula_moiety         'C15 H15 Ag N3 O3, C2 F6 N O4 S2'
_chemical_formula_sum            'C17 H15 Ag F6 N4 O7 S2'
_chemical_formula_weight         673.32
_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           159
_space_group_name_Hall           'P 3 -2c'
_space_group_name_H-M_alt        'P 3 1 c'
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-08-02
_audit_creation_method
;
  Olex2 1.2-beta
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   25.4018(11)
_cell_length_b                   25.4018(11)
_cell_length_c                   12.5772(5)
_cell_measurement_reflns_used    7110
_cell_measurement_temperature    99.97(12)
_cell_measurement_theta_max      29.0782
_cell_measurement_theta_min      2.7721
_cell_volume                     7028.2(5)
_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
;
SHELXS, 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 0.999
_diffrn_measured_fraction_theta_max 0.885
_diffrn_measurement_details
;
  1 omega  -20.00   25.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -16.9951  -99.0000    0.0000 45

  2 omega   13.00   89.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7138   38.0000    0.0000 76
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0270203000
_diffrn_orient_matrix_UB_12      0.0217419000
_diffrn_orient_matrix_UB_13      -0.0260236000
_diffrn_orient_matrix_UB_21      -0.0002380000
_diffrn_orient_matrix_UB_22      -0.0234378000
_diffrn_orient_matrix_UB_23      -0.0309134000
_diffrn_orient_matrix_UB_31      -0.0176898000
_diffrn_orient_matrix_UB_32      0.0041105000
_diffrn_orient_matrix_UB_33      -0.0392301000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17457
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.14
_diffrn_reflns_theta_min         2.78
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.134
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89509
_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    1.909
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4008
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.736
_refine_diff_density_min         -1.033
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     818
_refine_ls_number_reflns         8083
_refine_ls_number_restraints     725
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0164P)²+5.8297P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0586
_refine_ls_wR_factor_ref         0.0659
_reflns_number_gt                6650
_reflns_number_total             8083
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52416g.txt
_cod_data_source_block           nrb98
_cod_database_code               7028390
#BEGIN Tags that were not found in dictionaries:
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
#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 'y, x, z+1/2'
5 '-x, -x+y, z+1/2'
6 'x-y, -y, z+1/2'
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 -0.92873(4) 0.01700(13) Uani 1 3 d S . .
Ag2 Ag -0.6667 -0.3333 -0.67056(4) 0.01674(12) Uani 1 3 d S . .
Ag3 Ag -0.6667 -0.3333 -0.42366(5) 0.01936(13) Uani 1 3 d S . .
Ag4 Ag -0.6667 -0.3333 -0.16919(4) 0.01791(13) Uani 1 3 d S . .
N13 N -0.5594(3) -0.2100(3) -1.0487(4) 0.0193(14) Uani 0.778(4) 1 d PD . 1
C19 C -0.5342(4) -0.1490(5) -1.0658(7) 0.028(2) Uani 0.778(4) 1 d P . 1
H19 H -0.5586 -0.1317 -1.0759 0.033 Uiso 0.778(4) 1 calc PR . 1
C20 C -0.4705(5) -0.1130(6) -1.0678(10) 0.027(2) Uani 0.778(4) 1 d P . 1
H20 H -0.4526 -0.0713 -1.0787 0.033 Uiso 0.778(4) 1 calc PR . 1
C21 C -0.4334(4) -0.1386(3) -1.0537(8) 0.029(2) Uani 0.778(4) 1 d P . 1
H21 H -0.3912 -0.1146 -1.0548 0.035 Uiso 0.778(4) 1 calc PR . 1
C22 C -0.4620(3) -0.2021(4) -1.0377(6) 0.0227(18) Uani 0.778(4) 1 d P . 1
H22 H -0.4386 -0.2205 -1.0287 0.027 Uiso 0.778(4) 1 calc PR . 1
C23 C -0.5250(3) -0.2370(3) -1.0354(6) 0.0216(17) Uani 0.778(4) 1 d P . 1
H23 H -0.5437 -0.2787 -1.0247 0.026 Uiso 0.778(4) 1 calc PR . 1
N13' N -0.5397(11) -0.2335(7) -1.054(2) 0.0193(14) Uani 0.222(4) 1 d PD . 2
C19' C -0.4830(16) -0.2117(19) -1.035(3) 0.028(2) Uani 0.222(4) 1 d P . 2
H19' H -0.4691 -0.2377 -1.0141 0.033 Uiso 0.222(4) 1 calc PR . 2
C20' C -0.4454(18) -0.1551(17) -1.045(3) 0.027(2) Uani 0.222(4) 1 d P . 2
H20' H -0.4043 -0.1415 -1.0338 0.033 Uiso 0.222(4) 1 calc PR . 2
C21' C -0.460(2) -0.118(2) -1.069(4) 0.029(2) Uani 0.222(4) 1 d P . 2
H21' H -0.4320 -0.0770 -1.0775 0.035 Uiso 0.222(4) 1 calc PR . 2
C22' C -0.5193(17) -0.140(2) -1.083(3) 0.0227(18) Uani 0.222(4) 1 d P . 2
H22' H -0.5326 -0.1120 -1.0956 0.027 Uiso 0.222(4) 1 calc PR . 2
C23' C -0.5599(15) -0.1975(14) -1.080(2) 0.0216(17) Uani 0.222(4) 1 d P . 2
H23' H -0.6007 -0.2119 -1.0951 0.026 Uiso 0.222(4) 1 calc PR . 2
N14 N -0.5525(2) -0.3309(2) -0.7998(4) 0.0145(11) Uani 0.783(4) 1 d PD . 1
C24 C -0.4916(2) -0.2992(3) -0.8096(4) 0.0203(12) Uani 0.783(4) 1 d P . 1
H24 H -0.4717 -0.2571 -0.8154 0.024 Uiso 0.783(4) 1 calc PR . 1
C25 C -0.4590(3) -0.3287(3) -0.8109(5) 0.0236(13) Uani 0.783(4) 1 d P . 1
H25 H -0.4170 -0.3067 -0.8196 0.028 Uiso 0.783(4) 1 calc PR . 1
C26 C -0.4879(4) -0.3907(3) -0.7995(10) 0.0218(17) Uani 0.783(4) 1 d P . 1
H26 H -0.4657 -0.4107 -0.7962 0.026 Uiso 0.783(4) 1 calc PR . 1
C27 C -0.5510(3) -0.4229(3) -0.7929(5) 0.0273(14) Uani 0.783(4) 1 d P . 1
H27 H -0.5715 -0.4651 -0.7887 0.033 Uiso 0.783(4) 1 calc PR . 1
C28 C -0.5831(3) -0.3925(3) -0.7926(5) 0.0194(13) Uani 0.783(4) 1 d P . 1
H28 H -0.6253 -0.4138 -0.7876 0.023 Uiso 0.783(4) 1 calc PR . 1
C29 C -0.7149(2) -0.1984(2) -0.5573(4) 0.0257(11) Uani 1 1 d . . .
H29 H -0.6765 -0.1640 -0.5542 0.031 Uiso 1 1 calc R . .
C30 C -0.7658(2) -0.1926(2) -0.5654(4) 0.0316(12) Uani 1 1 d . . .
H30 H -0.7617 -0.1541 -0.5669 0.038 Uiso 1 1 calc R . .
C31 C -0.8226(2) -0.2433(2) -0.5711(4) 0.0266(11) Uani 1 1 d . . .
H31 H -0.8570 -0.2395 -0.5781 0.032 Uiso 1 1 calc R . .
C32 C -0.8276(2) -0.3000(2) -0.5664(4) 0.0241(10) Uani 1 1 d . . .
H32 H -0.8658 -0.3348 -0.5691 0.029 Uiso 1 1 calc R . .
C33 C -0.77656(19) -0.3052(2) -0.5579(3) 0.0185(9) Uani 1 1 d . . .
H33 H -0.7801 -0.3434 -0.5550 0.022 Uiso 1 1 calc R . .
C34 C -0.7928(2) -0.4626(2) -0.2875(4) 0.0264(11) Uani 1 1 d . . .
H34 H -0.7911 -0.4252 -0.2849 0.032 Uiso 1 1 calc R . .
C35 C -0.8482(2) -0.5156(2) -0.2839(4) 0.0282(12) Uani 1 1 d . . .
H35 H -0.8839 -0.5139 -0.2782 0.034 Uiso 1 1 calc R . .
C36 C -0.8507(2) -0.5711(2) -0.2888(4) 0.0280(11) Uani 1 1 d . . .
H36 H -0.8879 -0.6071 -0.2866 0.034 Uiso 1 1 calc R . .
C37 C -0.7967(2) -0.5723(2) -0.2972(4) 0.0264(11) Uani 1 1 d . . .
H37 H -0.7974 -0.6092 -0.3014 0.032 Uiso 1 1 calc R . .
C38 C -0.7424(2) -0.5186(2) -0.2993(3) 0.0200(10) Uani 1 1 d . . .
H38 H -0.7063 -0.5194 -0.3038 0.024 Uiso 1 1 calc R . .
N15 N -0.72101(16) -0.25463(16) -0.5538(3) 0.0171(8) Uani 1 1 d . . .
N16 N -0.74062(16) -0.46507(16) -0.2949(3) 0.0187(8) Uani 1 1 d . . .
O7 O -0.61976(17) -0.24341(17) -1.0443(3) 0.0209(8) Uani 0.778(4) 1 d PD . 1
O8 O -0.58285(16) -0.30026(17) -0.7969(3) 0.0184(8) Uani 0.783(4) 1 d PD . 1
O9 O -0.67113(13) -0.25894(14) -0.5475(2) 0.0223(7) Uani 1 1 d . . .
O10 O -0.68696(14) -0.41438(14) -0.2965(2) 0.0225(7) Uani 1 1 d . . .
Ag5 Ag 0.0000 0.0000 -0.63339(4) 0.01726(14) Uani 1 3 d S . .
Ag6 Ag 0.0000 0.0000 -0.37657(5) 0.01708(14) Uani 1 3 d S . .
C39 C -0.1275(2) -0.0030(2) -0.5106(3) 0.0172(10) Uani 1 1 d . . .
H39 H -0.0898 0.0322 -0.5058 0.021 Uiso 1 1 calc R . .
C40 C -0.1794(2) 0.0010(2) -0.5176(3) 0.0198(10) Uani 1 1 d . . .
H40 H -0.1766 0.0389 -0.5165 0.024 Uiso 1 1 calc R . .
C41 C -0.2355(2) -0.0509(2) -0.5264(4) 0.0252(11) Uani 1 1 d . . .
H41 H -0.2708 -0.0485 -0.5322 0.030 Uiso 1 1 calc R . .
C42 C -0.2380(2) -0.1063(2) -0.5262(4) 0.0238(10) Uani 1 1 d . . .
H42 H -0.2754 -0.1419 -0.5311 0.029 Uiso 1 1 calc R . .
C43 C -0.1855(2) -0.1095(2) -0.5186(3) 0.0178(9) Uani 1 1 d . . .
H43 H -0.1874 -0.1470 -0.5190 0.021 Uiso 1 1 calc R . .
C44 C 0.0408(2) -0.1408(2) -0.2596(3) 0.0202(10) Uani 1 1 d . . .
H44 H 0.0016 -0.1740 -0.2645 0.024 Uiso 1 1 calc R . .
C45 C 0.0894(2) -0.1501(2) -0.2572(4) 0.0259(11) Uani 1 1 d . . .
H45 H 0.0832 -0.1893 -0.2609 0.031 Uiso 1 1 calc R . .
C46 C 0.1477(2) -0.1009(2) -0.2492(4) 0.0270(11) Uani 1 1 d . . .
H46 H 0.1811 -0.1066 -0.2455 0.032 Uiso 1 1 calc R . .
C47 C 0.1553(2) -0.0426(2) -0.2468(4) 0.0242(11) Uani 1 1 d . . .
H47 H 0.1941 -0.0088 -0.2436 0.029 Uiso 1 1 calc R . .
C48 C 0.1056(2) -0.0354(2) -0.2490(4) 0.0229(10) Uani 1 1 d . . .
H48 H 0.1106 0.0035 -0.2464 0.027 Uiso 1 1 calc R . .
N17 N -0.13107(17) -0.05750(18) -0.5106(3) 0.0186(8) Uani 1 1 d . . .
N18 N 0.04887(16) -0.08433(17) -0.2551(3) 0.0171(8) Uani 1 1 d . . .
O11 O -0.08081(14) -0.06166(15) -0.5049(2) 0.0204(7) Uani 1 1 d . . .
O12 O 0.00011(13) -0.07754(14) -0.2555(2) 0.0186(7) Uani 1 1 d . . .
C49 C -0.7018(5) -0.8658(5) -0.3272(6) 0.0327(9) Uani 0.402(17) 1 d PDU A 1
F50 F -0.7076(8) -0.9069(6) -0.2535(10) 0.0364(11) Uani 0.402(17) 1 d PDU A 1
F51 F -0.6450(5) -0.8186(7) -0.313(2) 0.0357(10) Uani 0.402(17) 1 d PDU A 1
F52 F -0.7405(5) -0.8474(7) -0.2956(11) 0.0404(11) Uani 0.402(17) 1 d PDU A 1
S53 S -0.71318(8) -0.89547(7) -0.45805(14) 0.0222(3) Uani 0.789(3) 1 d PDU A 1
O54 O -0.6868(2) -0.8420(3) -0.5222(6) 0.0381(11) Uani 0.789(3) 1 d PDU A 1
O55 O -0.77757(17) -0.93680(18) -0.4648(3) 0.0296(8) Uani 0.789(3) 1 d PDU A 1
N56 N -0.6705(2) -0.92314(19) -0.4534(4) 0.0268(7) Uani 0.789(3) 1 d PDU A 1
S57 S -0.6890(2) -0.9917(2) -0.4587(7) 0.0218(6) Uani 0.789(3) 1 d PDU A 1
O58 O -0.6503(3) -1.0028(2) -0.3915(4) 0.0273(10) Uani 0.789(3) 1 d PU A 1
O59 O -0.7518(3) -1.0364(2) -0.4632(6) 0.0331(12) Uani 0.789(3) 1 d PU A 1
C60 C -0.6625(5) -0.9958(4) -0.5889(8) 0.0235(17) Uani 0.789(3) 1 d P A 1
F61 F -0.6018(2) -0.9561(2) -0.6012(4) 0.0397(11) Uani 0.789(3) 1 d P A 1
F62 F -0.6718(2) -1.0503(2) -0.6151(4) 0.0354(11) Uani 0.789(3) 1 d P A 1
F63 F -0.6889(3) -0.9782(2) -0.6648(6) 0.0379(14) Uani 0.789(3) 1 d P A 1
C49' C -0.7017(5) -0.8604(4) -0.3183(7) 0.0327(9) Uani 0.381(17) 1 d PDU A 2
F50' F -0.7212(6) -0.9017(5) -0.2446(8) 0.0364(11) Uani 0.381(17) 1 d PDU A 2
F51' F -0.6426(5) -0.8204(8) -0.305(2) 0.0357(10) Uani 0.381(17) 1 d PDU A 2
F52' F -0.7311(5) -0.8292(6) -0.3271(11) 0.0404(11) Uani 0.381(17) 1 d PDU A 2
S53' S -0.6850(3) -0.8809(3) -0.4415(5) 0.0222(3) Uani 0.211(3) 1 d PDU A 2
O54' O -0.7048(9) -0.8507(12) -0.514(3) 0.0381(11) Uani 0.211(3) 1 d PDU A 2
O55' O -0.6206(4) -0.8551(6) -0.4264(12) 0.0296(8) Uani 0.211(3) 1 d PDU A 2
N56' N -0.7203(6) -0.9511(4) -0.4685(15) 0.0268(7) Uani 0.211(3) 1 d PDU A 2
S57' S -0.6980(11) -1.0003(9) -0.459(3) 0.0218(6) Uani 0.211(3) 1 d P A 2
O58' O -0.6540(11) -0.9826(9) -0.3742(15) 0.0273(10) Uani 0.211(3) 1 d P A 2
O59' O -0.7527(11) -1.0570(8) -0.460(3) 0.0331(12) Uani 0.211(3) 1 d P A 2
C60' C -0.655(3) -0.9799(19) -0.606(4) 0.0235(17) Uani 0.211(3) 1 d P A 2
F61' F -0.6097(11) -0.9387(10) -0.596(2) 0.0397(11) Uani 0.211(3) 1 d P A 2
F62' F -0.6487(9) -1.0342(10) -0.5915(17) 0.0354(11) Uani 0.211(3) 1 d P A 2
F63' F -0.7010(16) -0.9995(11) -0.660(3) 0.0379(14) Uani 0.211(3) 1 d P A 2
C49" C -0.7107(6) -0.8793(6) -0.3185(8) 0.0327(9) Uani 0.218(3) 1 d PD B 3
F50" F -0.7696(6) -0.8949(7) -0.3064(10) 0.0364(11) Uani 0.218(3) 1 d PD B 3
F51" F -0.7032(10) -0.9161(9) -0.2491(16) 0.0357(10) Uani 0.218(3) 1 d PD B 3
F52" F -0.6822(6) -0.8228(6) -0.2741(11) 0.0404(11) Uani 0.218(3) 1 d PD B 3
O7' O -0.5772(6) -0.2933(6) -1.0540(11) 0.0209(8) Uani 0.222(4) 1 d PD . 2
O8' O -0.6576(6) -0.4015(6) -0.8095(10) 0.0184(8) Uani 0.217(4) 1 d PD . 2
N14' N -0.6048(7) -0.4014(7) -0.8072(17) 0.0145(11) Uani 0.217(4) 1 d PD . 2
C24' C -0.5519(10) -0.3501(11) -0.8254(19) 0.0203(12) Uani 0.217(4) 1 d PD . 2
H24' H -0.5517 -0.3143 -0.8413 0.024 Uiso 0.217(4) 1 calc PR . 2
C25' C -0.4977(10) -0.3504(10) -0.8208(17) 0.0236(13) Uani 0.217(4) 1 d PD . 2
H25' H -0.4607 -0.3143 -0.8257 0.028 Uiso 0.217(4) 1 calc PR . 2
C26' C -0.4997(18) -0.4051(9) -0.809(4) 0.0218(17) Uani 0.217(4) 1 d PD . 2
H26' H -0.4648 -0.4079 -0.8162 0.026 Uiso 0.217(4) 1 calc PR . 2
C27' C -0.5547(9) -0.4557(11) -0.7856(19) 0.0273(14) Uani 0.217(4) 1 d PD . 2
H27' H -0.5554 -0.4914 -0.7663 0.033 Uiso 0.217(4) 1 calc PR . 2
C28' C -0.6085(9) -0.4554(9) -0.7900(15) 0.0194(13) Uani 0.217(4) 1 d PD . 2
H28' H -0.6458 -0.4909 -0.7815 0.023 Uiso 0.217(4) 1 calc PR . 2
C64 C -0.5156(10) -0.4763(10) -0.4877(19) 0.0305(18) Uani 0.725(3) 1 d PU C 1
F65 F -0.4770(6) -0.4934(4) -0.5006(9) 0.0312(15) Uani 0.725(3) 1 d PU C 1
F66 F -0.4830(3) -0.4148(3) -0.4746(5) 0.0385(13) Uani 0.725(3) 1 d PU C 1
F67 F -0.5483(2) -0.4867(2) -0.5757(4) 0.0453(12) Uani 0.725(3) 1 d PU C 1
S68 S -0.56109(18) -0.5083(2) -0.3681(4) 0.0217(6) Uani 0.725(3) 1 d PU C 1
O69 O -0.6052(6) -0.4846(6) -0.3629(6) 0.0235(15) Uani 0.725(3) 1 d PU C 1
O70 O -0.5225(4) -0.4931(3) -0.2848(8) 0.0365(17) Uani 0.725(3) 1 d PU C 1
N71 N -0.5932(2) -0.5768(2) -0.4094(5) 0.0260(11) Uani 0.725(3) 1 d PU C 1
S72 S -0.6534(2) -0.6307(3) -0.3706(5) 0.0215(7) Uani 0.725(3) 1 d PU C 1
O73 O -0.6771(3) -0.6764(3) -0.4526(5) 0.0361(14) Uani 0.725(3) 1 d PU C 1
O74 O -0.6998(9) -0.6172(10) -0.3260(12) 0.035(2) Uani 0.725(3) 1 d PU C 1
C75 C -0.6333(4) -0.6653(3) -0.2653(6) 0.0344(15) Uani 0.725(3) 1 d PU C 1
F76 F -0.6810(3) -0.7135(2) -0.2264(4) 0.0544(13) Uani 0.725(3) 1 d PU C 1
F77 F -0.6042(2) -0.6259(2) -0.1881(3) 0.0484(11) Uani 0.725(3) 1 d PU C 1
F78 F -0.5953(3) -0.6835(3) -0.3007(4) 0.0446(13) Uani 0.725(3) 1 d PU C 1
C64' C -0.522(3) -0.483(3) -0.479(5) 0.0305(18) Uani 0.275(3) 1 d PU C 2
F65' F -0.4784(17) -0.5058(13) -0.483(3) 0.0312(15) Uani 0.275(3) 1 d PU C 2
F66' F -0.4992(9) -0.4284(9) -0.5055(15) 0.0385(13) Uani 0.275(3) 1 d PU C 2
F67' F -0.5627(6) -0.5191(7) -0.5564(10) 0.0453(12) Uani 0.275(3) 1 d PU C 2
S68' S -0.5703(6) -0.5030(6) -0.3596(12) 0.0217(6) Uani 0.275(3) 1 d PU C 2
O69' O -0.6003(19) -0.4804(19) -0.388(2) 0.0235(15) Uani 0.275(3) 1 d PU C 2
O70' O -0.5139(13) -0.4719(9) -0.277(3) 0.0365(17) Uani 0.275(3) 1 d PU C 2
N71' N -0.5902(7) -0.5736(7) -0.3404(13) 0.0260(11) Uani 0.275(3) 1 d PU C 2
S72' S -0.6621(7) -0.6250(8) -0.3700(15) 0.0215(7) Uani 0.275(3) 1 d PU C 2
O73' O -0.6659(7) -0.6430(7) -0.4782(12) 0.0361(14) Uani 0.275(3) 1 d PU C 2
O74' O -0.693(3) -0.613(3) -0.305(4) 0.035(2) Uani 0.275(3) 1 d PU C 2
C75' C -0.6575(11) -0.6884(9) -0.2949(16) 0.0344(15) Uani 0.275(3) 1 d PU C 2
F76' F -0.6521(8) -0.6784(7) -0.1934(11) 0.0544(13) Uani 0.275(3) 1 d PU C 2
F77' F -0.7090(6) -0.7369(5) -0.3142(9) 0.0484(11) Uani 0.275(3) 1 d PU C 2
F78' F -0.6113(9) -0.6950(9) -0.3346(14) 0.0446(13) Uani 0.275(3) 1 d PU C 2
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
O7 Ag1 O7 88.54(13) 2_455 3_445
O7 Ag1 O7 88.54(13) . 2_455
O7 Ag1 O7 88.54(13) . 3_445
O7 Ag1 O8 92.57(12) 3_445 .
O7 Ag1 O8 92.58(12) . 2_455
O7 Ag1 O8 173.06(14) . 3_445
O7 Ag1 O8 98.33(12) . .
O7 Ag1 O8 98.33(12) 2_455 2_455
O7 Ag1 O8 98.33(12) 3_445 3_445
O7 Ag1 O8 173.06(14) 2_455 .
O7 Ag1 O8 173.06(14) 3_445 2_455
O7 Ag1 O8 92.57(12) 2_455 3_445
O7 Ag1 O7' 48.3(3) 2_455 2_455
O7 Ag1 O7' 45.3(3) . 2_455
O7 Ag1 O7' 105.1(3) 3_445 2_455
O7 Ag1 O7' 105.1(3) . 3_445
O7 Ag1 O7' 45.3(3) 2_455 3_445
O7 Ag1 O7' 48.3(3) . .
O7 Ag1 O7' 48.3(3) 3_445 3_445
O7 Ag1 O7' 45.3(3) 3_445 .
O7 Ag1 O7' 105.1(3) 2_455 .
O8 Ag1 O8 80.49(13) 2_455 .
O8 Ag1 O8 80.49(13) 2_455 3_445
O8 Ag1 O8 80.49(13) . 3_445
O8 Ag1 O7' 137.5(3) 2_455 3_445
O8 Ag1 O7' 137.5(3) . 2_455
O8 Ag1 O7' 132.5(3) . 3_445
O8 Ag1 O7' 80.5(3) 3_445 3_445
O8 Ag1 O7' 80.5(3) 2_455 2_455
O8 Ag1 O7' 132.5(3) 3_445 2_455
O8 Ag1 O7' 80.5(3) . .
O8 Ag1 O7' 137.5(3) 3_445 .
O8 Ag1 O7' 132.5(3) 2_455 .
O7' Ag1 O7' 85.1(4) 2_455 3_445
O7' Ag1 O7' 85.1(4) 2_455 .
O7' Ag1 O7' 85.1(4) 3_445 .
O8' Ag1 O7 117.0(3) 2_455 3_445
O8' Ag1 O7 78.0(3) . 3_445
O8' Ag1 O7 117.0(3) . 2_455
O8' Ag1 O7 150.3(3) 3_445 3_445
O8' Ag1 O7 150.3(3) 2_455 2_455
O8' Ag1 O7 78.0(3) 3_445 2_455
O8' Ag1 O7 117.0(3) 3_445 .
O8' Ag1 O7 150.3(3) . .
O8' Ag1 O7 78.0(3) 2_455 .
O8' Ag1 O8 32.6(3) 3_445 2_455
O8' Ag1 O8 56.6(3) 2_455 2_455
O8' Ag1 O8 32.6(3) . 3_445
O8' Ag1 O8 97.9(3) 2_455 3_445
O8' Ag1 O8 56.6(3) . .
O8' Ag1 O8 97.9(3) . 2_455
O8' Ag1 O8 56.6(3) 3_445 3_445
O8' Ag1 O8 32.6(3) 2_455 .
O8' Ag1 O8 97.9(3) 3_445 .
O8' Ag1 O7' 85.6(4) 3_445 2_455
O8' Ag1 O7' 106.9(4) 2_455 2_455
O8' Ag1 O7' 164.2(4) 3_445 .
O8' Ag1 O7' 85.6(4) . 3_445
O8' Ag1 O7' 164.2(4) . 2_455
O8' Ag1 O7' 85.6(4) 2_455 .
O8' Ag1 O7' 106.9(4) . .
O8' Ag1 O7' 106.9(4) 3_445 3_445
O8' Ag1 O7' 164.2(4) 2_455 3_445
O8' Ag1 O8' 84.7(5) 2_455 .
O8' Ag1 O8' 84.7(5) 3_445 .
O8' Ag1 O8' 84.7(5) 3_445 2_455
Ag3 Ag2 Ag1 180.0 . .
O8 Ag2 Ag1 49.46(9) 3_445 .
O8 Ag2 Ag1 49.45(9) . .
O8 Ag2 Ag1 49.45(9) 2_455 .
O8 Ag2 Ag3 130.55(9) 2_455 .
O8 Ag2 Ag3 130.54(9) 3_445 .
O8 Ag2 Ag3 130.55(9) . .
O8 Ag2 O8 82.31(13) . 3_445
O8 Ag2 O8 82.31(13) 2_455 3_445
O8 Ag2 O8 82.31(13) 2_455 .
O8 Ag2 O9 81.13(11) . 3_445
O8 Ag2 O9 149.46(11) . 2_455
O8 Ag2 O9 149.46(11) 2_455 3_445
O8 Ag2 O9 81.13(11) 3_445 2_455
O8 Ag2 O9 120.39(11) . .
O8 Ag2 O9 120.39(11) 3_445 3_445
O8 Ag2 O9 81.14(11) 2_455 .
O8 Ag2 O9 149.47(11) 3_445 .
O8 Ag2 O9 120.39(11) 2_455 2_455
O8 Ag2 O8' 55.2(3) 2_455 2_455
O8 Ag2 O8' 31.8(3) 2_455 3_445
O8 Ag2 O8' 55.2(3) . .
O8 Ag2 O8' 31.8(3) 3_445 .
O8 Ag2 O8' 94.9(3) . 3_445
O8 Ag2 O8' 31.8(3) . 2_455
O8 Ag2 O8' 94.9(3) 3_445 2_455
O8 Ag2 O8' 55.2(3) 3_445 3_445
O8 Ag2 O8' 94.9(3) 2_455 .
O9 Ag2 Ag1 128.47(7) . .
O9 Ag2 Ag1 128.47(7) 2_455 .
O9 Ag2 Ag1 128.46(7) 3_445 .
O9 Ag2 Ag3 51.54(7) 3_445 .
O9 Ag2 Ag3 51.53(7) 2_455 .
O9 Ag2 Ag3 51.53(7) . .
O9 Ag2 O9 85.39(11) 2_455 3_445
O9 Ag2 O9 85.39(11) . 3_445
O9 Ag2 O9 85.39(11) . 2_455
O9 Ag2 O8' 96.5(3) 3_445 .
O9 Ag2 O8' 174.6(3) 3_445 3_445
O9 Ag2 O8' 174.6(3) . .
O9 Ag2 O8' 99.8(3) 2_455 .
O9 Ag2 O8' 96.5(3) 2_455 3_445
O9 Ag2 O8' 96.5(3) . 2_455
O9 Ag2 O8' 174.6(3) 2_455 2_455
O9 Ag2 O8' 99.8(3) . 3_445
O9 Ag2 O8' 99.8(3) 3_445 2_455
O8' Ag2 Ag1 46.8(3) 3_445 .
O8' Ag2 Ag1 46.8(3) 2_455 .
O8' Ag2 Ag1 46.8(3) . .
O8' Ag2 Ag3 133.2(3) 3_445 .
O8' Ag2 Ag3 133.2(3) . .
O8' Ag2 Ag3 133.2(3) 2_455 .
O8' Ag2 O8' 78.3(5) 3_445 .
O8' Ag2 O8' 78.2(5) 3_445 2_455
O8' Ag2 O8' 78.2(5) 2_455 .
Ag2 Ag3 Ag4 180.0 . .
O9 Ag3 Ag2 51.38(7) . .
O9 Ag3 Ag2 51.38(7) 2_455 .
O9 Ag3 Ag2 51.38(7) 3_445 .
O9 Ag3 Ag4 128.62(7) . .
O9 Ag3 Ag4 128.62(7) 2_455 .
O9 Ag3 Ag4 128.62(7) 3_445 .
O9 Ag3 O9 85.15(11) 2_455 3_445
O9 Ag3 O9 85.16(11) . 2_455
O9 Ag3 O9 85.16(11) . 3_445
O10 Ag3 Ag2 130.76(7) . .
O10 Ag3 Ag2 130.76(7) 3_445 .
O10 Ag3 Ag2 130.76(7) 2_455 .
O10 Ag3 Ag4 49.24(7) 3_445 .
O10 Ag3 Ag4 49.24(7) 2_455 .
O10 Ag3 Ag4 49.24(7) . .
O10 Ag3 O9 88.63(9) 2_455 3_445
O10 Ag3 O9 105.81(10) . 3_445
O10 Ag3 O9 166.91(10) . .
O10 Ag3 O9 105.82(10) 3_445 2_455
O10 Ag3 O9 105.81(10) 2_455 .
O10 Ag3 O9 166.91(10) 3_445 3_445
O10 Ag3 O9 88.63(9) . 2_455
O10 Ag3 O9 88.63(9) 3_445 .
O10 Ag3 O9 166.91(10) 2_455 2_455
O10 Ag3 O10 81.99(11) 2_455 .
O10 Ag3 O10 81.99(11) 3_445 .
O10 Ag3 O10 81.99(11) 3_445 2_455
Ag1 Ag4 Ag3 180.0 1_556 .
O7 Ag4 Ag1 51.55(9) 2_456 1_556
O7 Ag4 Ag1 51.55(9) 1_556 1_556
O7 Ag4 Ag1 51.55(9) 3_446 1_556
O7 Ag4 Ag3 128.45(9) 2_456 .
O7 Ag4 Ag3 128.45(9) 1_556 .
O7 Ag4 Ag3 128.45(9) 3_446 .
O7 Ag4 O7 85.41(13) 1_556 3_446
O7 Ag4 O7 85.41(13) 2_456 3_446
O7 Ag4 O7 85.41(13) 2_456 1_556
O10 Ag4 Ag1 130.80(7) . 1_556
O10 Ag4 Ag1 130.80(7) 2_455 1_556
O10 Ag4 Ag1 130.80(7) 3_445 1_556
O10 Ag4 Ag3 49.20(7) 2_455 .
O10 Ag4 Ag3 49.20(7) . .
O10 Ag4 Ag3 49.20(7) 3_445 .
O10 Ag4 O7 106.15(12) . 2_456
O10 Ag4 O7 166.34(11) 3_445 3_446
O10 Ag4 O7 166.34(11) 2_455 2_456
O10 Ag4 O7 88.23(11) 3_445 2_456
O10 Ag4 O7 106.14(12) 2_455 3_446
O10 Ag4 O7 166.34(11) . 1_556
O10 Ag4 O7 88.23(11) 2_455 1_556
O10 Ag4 O7 88.23(11) . 3_446
O10 Ag4 O7 106.15(11) 3_445 1_556
O10 Ag4 O10 81.93(11) 3_445 .
O10 Ag4 O10 81.93(11) 2_455 .
O10 Ag4 O10 81.93(11) 3_445 2_455
O7' Ag4 Ag1 53.7(3) 3_446 1_556
O7' Ag4 Ag1 53.7(3) 2_456 1_556
O7' Ag4 Ag1 53.7(3) 1_556 1_556
O7' Ag4 Ag3 126.3(3) 2_456 .
O7' Ag4 Ag3 126.3(3) 1_556 .
O7' Ag4 Ag3 126.3(3) 3_446 .
O7' Ag4 O7 105.2(3) 1_556 2_456
O7' Ag4 O7 45.3(3) 3_446 2_456
O7' Ag4 O7 48.4(3) 3_446 3_446
O7' Ag4 O7 45.3(3) 1_556 3_446
O7' Ag4 O7 48.4(3) 1_556 1_556
O7' Ag4 O7 48.4(3) 2_456 2_456
O7' Ag4 O7 105.2(3) 2_456 3_446
O7' Ag4 O7 105.2(3) 3_446 1_556
O7' Ag4 O7 45.3(3) 2_456 1_556
O7' Ag4 O10 119.8(3) 3_446 3_445
O7' Ag4 O10 148.3(3) 3_446 2_455
O7' Ag4 O10 119.8(3) 2_456 2_455
O7' Ag4 O10 79.2(3) 1_556 2_455
O7' Ag4 O10 148.3(3) 2_456 .
O7' Ag4 O10 79.2(3) 2_456 3_445
O7' Ag4 O10 148.3(3) 1_556 3_445
O7' Ag4 O10 119.8(3) 1_556 .
O7' Ag4 O10 79.2(3) 3_446 .
O7' Ag4 O7' 88.5(4) 1_556 3_446
O7' Ag4 O7' 88.5(4) 2_456 3_446
O7' Ag4 O7' 88.5(4) 2_456 1_556
C23 N13 C19 122.3(7) . .
O7 N13 C19 117.9(6) . .
O7 N13 C23 119.9(6) . .
N13 C19 C20 118.4(9) . .
C21 C20 C19 121.2(10) . .
C20 C21 C22 117.9(9) . .
C23 C22 C21 120.1(8) . .
N13 C23 C22 120.1(7) . .
C19' N13' C23' 120(3) . .
C19' N13' O7' 120(3) . .
C23' N13' O7' 120(2) . .
C20' C19' N13' 121(4) . .
C21' C20' C19' 123(5) . .
C20' C21' C22' 116(5) . .
C23' C22' C21' 123(4) . .
N13' C23' C22' 116(3) . .
C24 N14 C28 121.3(5) . .
O8 N14 C24 118.5(5) . .
O8 N14 C28 120.2(5) . .
N14 C24 C25 120.3(6) . .
C24 C25 C26 120.3(7) . .
C25 C26 C27 118.6(9) . .
C28 C27 C26 120.2(7) . .
N14 C28 C27 119.3(6) . .
N15 C29 C30 119.7(5) . .
C31 C30 C29 120.4(5) . .
C30 C31 C32 118.7(5) . .
C33 C32 C31 120.3(5) . .
N15 C33 C32 119.9(4) . .
N16 C34 C35 120.1(4) . .
C34 C35 C36 119.9(5) . .
C35 C36 C37 118.9(5) . .
C38 C37 C36 119.5(5) . .
N16 C38 C37 121.0(4) . .
C33 N15 C29 120.9(4) . .
O9 N15 C29 118.5(4) . .
O9 N15 C33 120.6(4) . .
C38 N16 C34 120.7(4) . .
O10 N16 C34 120.6(4) . .
O10 N16 C38 118.8(4) . .
Ag1 O7 Ag4 74.74(11) . 1_554
N13 O7 Ag1 119.1(3) . .
N13 O7 Ag4 115.0(3) . 1_554
Ag2 O8 Ag1 82.30(11) . .
N14 O8 Ag1 115.4(3) . .
N14 O8 Ag2 118.2(3) . .
Ag2 O9 Ag3 77.09(9) . .
N15 O9 Ag2 115.7(2) . .
N15 O9 Ag3 120.4(2) . .
Ag3 O10 Ag4 81.55(10) . .
N16 O10 Ag3 120.5(2) . .
N16 O10 Ag4 119.2(2) . .
Ag6 Ag5 Ag6 180.0 4_554 .
O11 Ag5 Ag6 131.03(7) . 4_554
O11 Ag5 Ag6 48.97(7) . .
O11 Ag5 Ag6 48.97(7) 3 .
O11 Ag5 Ag6 48.97(7) 2 .
O11 Ag5 Ag6 131.03(7) 2 4_554
O11 Ag5 Ag6 131.03(7) 3 4_554
O11 Ag5 O11 81.58(11) 3 2
O11 Ag5 O11 81.58(11) . 2
O11 Ag5 O11 81.58(11) . 3
O11 Ag5 O12 89.85(10) 3 6_554
O11 Ag5 O12 89.84(10) . 4_554
O11 Ag5 O12 103.28(10) . 5_554
O11 Ag5 O12 103.28(10) 2 6_554
O11 Ag5 O12 103.28(10) 3 4_554
O11 Ag5 O12 89.84(10) 2 5_554
O11 Ag5 O12 169.48(10) 3 5_554
O11 Ag5 O12 169.48(10) 2 4_554
O11 Ag5 O12 169.49(10) . 6_554
O12 Ag5 Ag6 52.08(7) 4_554 4_554
O12 Ag5 Ag6 52.08(7) 6_554 4_554
O12 Ag5 Ag6 52.08(7) 5_554 4_554
O12 Ag5 Ag6 127.92(7) 5_554 .
O12 Ag5 Ag6 127.92(7) 6_554 .
O12 Ag5 Ag6 127.92(7) 4_554 .
O12 Ag5 O12 86.19(10) 6_554 5_554
O12 Ag5 O12 86.19(10) 4_554 5_554
O12 Ag5 O12 86.19(10) 4_554 6_554
Ag5 Ag6 Ag5 180.0 4 .
O11 Ag6 Ag5 49.03(7) 3 .
O11 Ag6 Ag5 49.03(7) 2 .
O11 Ag6 Ag5 49.03(7) . .
O11 Ag6 Ag5 130.97(7) 3 4
O11 Ag6 Ag5 130.97(7) 2 4
O11 Ag6 Ag5 130.97(7) . 4
O11 Ag6 O11 81.67(11) . 2
O11 Ag6 O11 81.67(11) . 3
O11 Ag6 O11 81.67(11) 2 3
O11 Ag6 O12 89.55(9) 2 .
O11 Ag6 O12 169.31(10) 3 .
O11 Ag6 O12 169.31(10) 2 3
O11 Ag6 O12 103.18(10) 3 3
O11 Ag6 O12 89.55(9) . 3
O11 Ag6 O12 89.55(9) 3 2
O11 Ag6 O12 103.18(10) . .
O11 Ag6 O12 169.31(10) . 2
O11 Ag6 O12 103.18(10) 2 2
O12 Ag6 Ag5 52.31(7) . 4
O12 Ag6 Ag5 52.31(7) 3 4
O12 Ag6 Ag5 52.31(7) 2 4
O12 Ag6 Ag5 127.69(7) . .
O12 Ag6 Ag5 127.69(7) 3 .
O12 Ag6 Ag5 127.69(7) 2 .
O12 Ag6 O12 86.51(10) 2 3
O12 Ag6 O12 86.52(10) 2 .
O12 Ag6 O12 86.52(10) . 3
N17 C39 C40 120.2(4) . .
C39 C40 C41 120.4(4) . .
C42 C41 C40 118.3(5) . .
C41 C42 C43 120.6(5) . .
N17 C43 C42 119.5(4) . .
N18 C44 C45 120.9(4) . .
C44 C45 C46 119.8(5) . .
C45 C46 C47 118.6(4) . .
C48 C47 C46 119.8(5) . .
N18 C48 C47 120.5(4) . .
C39 N17 C43 121.0(4) . .
O11 N17 C39 120.5(4) . .
O11 N17 C43 118.5(4) . .
C44 N18 C48 120.4(4) . .
O12 N18 C44 118.8(4) . .
O12 N18 C48 120.8(4) . .
Ag6 O11 Ag5 82.00(10) . .
N17 O11 Ag5 116.1(2) . .
N17 O11 Ag6 120.8(2) . .
Ag6 O12 Ag5 75.61(9) . 4
N18 O12 Ag5 117.8(2) . 4
N18 O12 Ag6 118.2(2) . .
F50 C49 F51 104.6(9) . .
F50 C49 S53 112.2(8) . .
F51 C49 S53 112.1(13) . .
F52 C49 F50 104.4(7) . .
F52 C49 F51 107.1(9) . .
F52 C49 S53 115.5(9) . .
O54 S53 C49 102.8(5) . .
O54 S53 O55 118.9(3) . .
O54 S53 N56 110.4(4) . .
O55 S53 C49 104.4(4) . .
O55 S53 N56 117.8(3) . .
N56 S53 C49 98.9(4) . .
S57 N56 S53 127.6(4) . .
N56 S57 C60 101.0(5) . .
O58 S57 N56 110.1(4) . .
O58 S57 C60 102.2(6) . .
O59 S57 N56 119.0(5) . .
O59 S57 O58 118.2(5) . .
O59 S57 C60 102.7(7) . .
F61 C60 S57 112.3(8) . .
F62 C60 S57 114.4(5) . .
F62 C60 F61 106.9(8) . .
F62 C60 F63 107.9(9) . .
F63 C60 S57 111.0(8) . .
F63 C60 F61 103.7(5) . .
F50' C49' F51' 110.7(10) . .
F50' C49' F52' 115.9(8) . .
F50' C49' S53' 116.3(7) . .
F51' C49' F52' 107.9(9) . .
F51' C49' S53' 89.5(14) . .
F52' C49' S53' 113.1(8) . .
O54' S53' C49' 101.7(17) . .
O54' S53' O55' 117.7(12) . .
O54' S53' N56' 108.2(15) . .
O55' S53' C49' 97.9(8) . .
O55' S53' N56' 114.5(8) . .
N56' S53' C49' 116.0(9) . .
S53' N56' S57' 129.6(13) . .
N56' S57' C60' 95(2) . .
O58' S57' N56' 109.1(19) . .
O58' S57' C60' 111(2) . .
O59' S57' N56' 104(2) . .
O59' S57' O58' 122(3) . .
O59' S57' C60' 112(3) . .
F61' C60' S57' 108(4) . .
F61' C60' F62' 108(4) . .
F61' C60' F63' 141(4) . .
F62' C60' S57' 87(2) . .
F63' C60' S57' 97(3) . .
F63' C60' F62' 102(4) . .
F50" C49" F51" 104.0(14) . .
F50" C49" F52" 100.9(12) . .
F51" C49" F52" 106.1(14) . .
Ag4 O7' Ag1 74.9(3) 1_554 .
N13' O7' Ag1 116.6(16) . .
N13' O7' Ag4 117.3(13) . 1_554
Ag1 O8' Ag2 82.1(4) . .
N14' O8' Ag1 118.1(11) . .
N14' O8' Ag2 114.5(12) . .
O8' N14' C24' 120.9(15) . .
O8' N14' C28' 116.2(15) . .
C24' N14' C28' 122.9(18) . .
N14' C24' C25' 120(2) . .
C26' C25' C24' 118(3) . .
C25' C26' C27' 118(3) . .
C28' C27' C26' 122(3) . .
N14' C28' C27' 116.7(18) . .
F65 C64 F66 106.2(15) . .
F65 C64 F67 110(2) . .
F65 C64 S68 112.4(17) . .
F66 C64 S68 107.3(17) . .
F67 C64 F66 106.7(19) . .
F67 C64 S68 113.9(13) . .
O69 S68 C64 106.8(11) . .
O69 S68 N71 111.8(6) . .
O70 S68 C64 107.7(9) . .
O70 S68 O69 115.2(7) . .
O70 S68 N71 117.8(5) . .
N71 S68 C64 94.7(9) . .
S72 N71 S68 127.4(4) . .
N71 S72 C75 105.7(4) . .
O73 S72 N71 108.7(5) . .
O73 S72 O74 113.2(7) . .
O73 S72 C75 103.9(4) . .
O74 S72 N71 117.6(9) . .
O74 S72 C75 106.6(8) . .
F76 C75 S72 112.0(7) . .
F76 C75 F77 109.8(6) . .
F76 C75 F78 106.9(6) . .
F77 C75 S72 110.9(5) . .
F77 C75 F78 106.2(7) . .
F78 C75 S72 110.7(6) . .
F65' C64' S68' 116(4) . .
F66' C64' F65' 113(4) . .
F66' C64' F67' 109(5) . .
F66' C64' S68' 115(5) . .
F67' C64' F65' 99(5) . .
F67' C64' S68' 103(3) . .
O69' S68' C64' 96(3) . .
O69' S68' O70' 125(2) . .
O69' S68' N71' 130(2) . .
O70' S68' C64' 95(2) . .
O70' S68' N71' 99.0(13) . .
N71' S68' C64' 103(3) . .
S68' N71' S72' 116.5(11) . .
N71' S72' C75' 92.5(11) . .
O73' S72' N71' 109.6(13) . .
O73' S72' C75' 103.0(12) . .
O74' S72' N71' 103(2) . .
O74' S72' O73' 138(3) . .
O74' S72' C75' 100(3) . .
F76' C75' S72' 111.5(16) . .
F76' C75' F78' 112(2) . .
F77' C75' S72' 104.6(16) . .
F77' C75' F76' 109.2(19) . .
F77' C75' F78' 109.5(18) . .
F78' C75' S72' 110.0(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O7 2.455(4) 3_445
Ag1 O7 2.455(4) 2_455
Ag1 O7 2.455(4) .
Ag1 O8 2.490(4) 3_445
Ag1 O8 2.490(4) .
Ag1 O8 2.490(4) 2_455
Ag1 O7' 2.524(13) .
Ag1 O7' 2.524(13) 3_445
Ag1 O7' 2.524(13) 2_455
Ag1 O8' 2.388(13) .
Ag1 O8' 2.388(13) 2_455
Ag1 O8' 2.388(13) 3_445
Ag2 Ag3 3.1054(8) .
Ag2 O8 2.444(4) .
Ag2 O8 2.444(4) 2_455
Ag2 O8 2.444(4) 3_445
Ag2 O9 2.489(3) 2_455
Ag2 O9 2.489(3) .
Ag2 O9 2.489(3) 3_445
Ag2 O8' 2.551(13) 3_445
Ag2 O8' 2.551(13) 2_455
Ag2 O8' 2.551(13) .
Ag3 Ag4 3.2004(8) .
Ag3 O9 2.494(3) .
Ag3 O9 2.494(3) 2_455
Ag3 O9 2.495(3) 3_445
Ag3 O10 2.449(3) .
Ag3 O10 2.449(3) 2_455
Ag3 O10 2.449(3) 3_445
Ag4 Ag1 3.0244(7) 1_556
Ag4 O7 2.527(4) 3_446
Ag4 O7 2.527(4) 1_556
Ag4 O7 2.527(4) 2_456
Ag4 O10 2.451(3) 3_445
Ag4 O10 2.451(3) 2_455
Ag4 O10 2.451(3) .
Ag4 O7' 2.447(13) 3_446
Ag4 O7' 2.447(13) 1_556
Ag4 O7' 2.447(13) 2_456
N13 C19 1.366(12) .
N13 C23 1.363(8) .
N13 O7 1.331(7) .
C19 C20 1.406(14) .
C20 C21 1.399(15) .
C21 C22 1.413(11) .
C22 C23 1.390(9) .
N13' C19' 1.28(4) .
N13' C23' 1.29(4) .
N13' O7' 1.330(11) .
C19' C20' 1.27(5) .
C20' C21' 1.22(7) .
C21' C22' 1.33(6) .
C22' C23' 1.31(5) .
N14 C24 1.345(7) .
N14 C28 1.358(7) .
N14 O8 1.341(6) .
C24 C25 1.369(8) .
C25 C26 1.371(9) .
C26 C27 1.392(11) .
C27 C28 1.375(9) .
C29 C30 1.377(7) .
C29 N15 1.358(5) .
C30 C31 1.373(7) .
C31 C32 1.383(6) .
C32 C33 1.372(6) .
C33 N15 1.353(5) .
C34 C35 1.377(7) .
C34 N16 1.362(5) .
C35 C36 1.381(7) .
C36 C37 1.393(7) .
C37 C38 1.371(6) .
C38 N16 1.339(6) .
N15 O9 1.327(4) .
N16 O10 1.327(4) .
O7 Ag4 2.527(4) 1_554
Ag5 Ag6 3.2300(8) .
Ag5 Ag6 3.0586(8) 4_554
Ag5 O11 2.463(3) .
Ag5 O11 2.463(3) 3
Ag5 O11 2.463(3) 2
Ag5 O12 2.499(3) 6_554
Ag5 O12 2.499(3) 4_554
Ag5 O12 2.499(3) 5_554
Ag6 Ag5 3.0585(8) 4
Ag6 O11 2.461(3) 2
Ag6 O11 2.461(3) .
Ag6 O11 2.461(3) 3
Ag6 O12 2.491(3) .
Ag6 O12 2.491(3) 2
Ag6 O12 2.491(3) 3
C39 C40 1.374(6) .
C39 N17 1.342(5) .
C40 C41 1.380(7) .
C41 C42 1.376(7) .
C42 C43 1.380(6) .
C43 N17 1.356(6) .
C44 C45 1.367(6) .
C44 N18 1.345(6) .
C45 C46 1.384(6) .
C46 C47 1.393(7) .
C47 C48 1.365(6) .
C48 N18 1.355(6) .
N17 O11 1.335(4) .
N18 O12 1.333(4) .
O12 Ag5 2.499(3) 4
C49 F50 1.347(7) .
C49 F51 1.350(7) .
C49 F52 1.343(7) .
C49 S53 1.772(8) .
S53 O54 1.427(4) .
S53 O55 1.438(4) .
S53 N56 1.561(4) .
N56 S57 1.561(6) .
S57 O58 1.427(9) .
S57 O59 1.423(7) .
S57 C60 1.794(14) .
C60 F61 1.365(12) .
C60 F62 1.323(11) .
C60 F63 1.365(13) .
C49' F50' 1.299(7) .
C49' F51' 1.338(7) .
C49' F52' 1.339(7) .
C49' S53' 1.752(9) .
S53' O54' 1.436(8) .
S53' O55' 1.439(8) .
S53' N56' 1.582(8) .
N56' S57' 1.61(3) .
S57' O58' 1.45(4) .
S57' O59' 1.42(3) .
S57' C60' 2.06(6) .
C60' F61' 1.11(6) .
C60' F62' 1.48(5) .
C60' F63' 1.22(7) .
C49" F50" 1.352(8) .
C49" F51" 1.361(8) .
C49" F52" 1.363(8) .
O7' Ag4 2.447(13) 1_554
O8' N14' 1.340(11) .
N14' C24' 1.344(19) .
N14' C28' 1.345(18) .
C24' C25' 1.380(19) .
C25' C26' 1.374(19) .
C26' C27' 1.376(19) .
C27' C28' 1.371(18) .
C64 F65 1.26(3) .
C64 F66 1.36(2) .
C64 F67 1.33(3) .
C64 S68 1.822(19) .
S68 O69 1.516(16) .
S68 O70 1.352(11) .
S68 N71 1.594(7) .
N71 S72 1.535(8) .
S72 O73 1.440(8) .
S72 O74 1.49(3) .
S72 C75 1.799(9) .
C75 F76 1.313(9) .
C75 F77 1.325(8) .
C75 F78 1.338(11) .
C64' F65' 1.50(9) .
C64' F66' 1.24(7) .
C64' F67' 1.39(7) .
C64' S68' 1.84(6) .
S68' O69' 1.21(5) .
S68' O70' 1.62(3) .
S68' N71' 1.62(2) .
N71' S72' 1.67(2) .
S72' O73' 1.42(2) .
S72' O74' 1.26(7) .
S72' C75' 1.92(3) .
C75' F76' 1.30(3) .
C75' F77' 1.29(2) .
C75' F78' 1.36(3) .
