#------------------------------------------------------------------------------
#$Date: 2016-03-21 02:58:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178414 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/35/4023506.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_4023506
loop_
_publ_author_name
'Teresa Olszewska'
'Maria Gdaniec'
'Tadeusz Połoński'
_publ_section_title
;
 Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide
 through Diastereomeric Silver(I) Complex. Circular Dichroism
 Spectra, Racemization Barrier, and Molecular Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4859
_journal_page_last               4864
_journal_paper_doi               10.1021/jo8004809
_journal_volume                  73
_journal_year                    2008
_chemical_absolute_configuration syn
_chemical_formula_moiety
;
4(C10 H15 Ag O4 S),2(C16 H14 N2 S2), 2(H2 O), 2(C H2 Cl2) 
;
_chemical_formula_sum            'C74 H96 Ag4 Cl4 N4 O18 S8'
_chemical_formula_weight         2159.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.793(5)
_cell_angle_beta                 108.602(6)
_cell_angle_gamma                103.178(5)
_cell_formula_units_Z            1
_cell_length_a                   10.9118(7)
_cell_length_b                   13.9513(9)
_cell_length_c                   16.0627(10)
_cell_measurement_reflns_used    9758
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     2124.4(2)
_computing_cell_refinement
;
CrysAlis CCD
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2007)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_molecular_graphics
; Stereochemical Workstation (Siemens, 1989).
Mercury, Version 1.4
(Macrae et al., 2006)
;
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Kuma KM4CCD κ geometry'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15915
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         4.10
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  0.699
_exptl_absorpt_correction_T_min  0.587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,

Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pale-brown
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.364
_refine_diff_density_min         -1.406
_refine_diff_density_rms         0.104
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1049
_refine_ls_number_reflns         11051
_refine_ls_number_restraints     138
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0751P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1095
_refine_ls_wR_factor_ref         0.1139
_reflns_number_gt                9516
_reflns_number_total             11051
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo8004809-File003.cif
_cod_data_source_block           (-)2b-3
_cod_database_code               4023506
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
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 0.73388(5) 0.69912(4) 0.04728(4) 0.03858(17) Uani 1 1 d . . .
Ag2 Ag 1.27973(5) 0.29070(4) 0.09483(5) 0.03982(17) Uani 1 1 d . . .
Ag3 Ag 1.45819(6) 0.11591(6) 0.08898(5) 0.04754(19) Uani 1 1 d . . .
Ag4 Ag 0.55741(7) 0.46215(4) 0.05174(4) 0.04350(18) Uani 1 1 d . . .
S1A S 0.8185(2) 0.57755(14) 0.11413(14) 0.0321(4) Uani 1 1 d . . .
S2A S 1.2890(2) 0.47104(17) 0.15156(18) 0.0565(7) Uani 1 1 d . . .
N1A N 1.1545(6) 0.5745(4) 0.0609(4) 0.0254(13) Uani 1 1 d . . .
N2A N 0.8861(6) 0.4175(5) 0.0413(4) 0.0248(13) Uani 1 1 d . . .
C1A C 1.0487(7) 0.5796(5) -0.0186(5) 0.0235(15) Uani 1 1 d . . .
C2A C 0.9130(7) 0.5494(5) -0.0290(5) 0.0221(14) Uani 1 1 d . . .
C3A C 0.8138(7) 0.5563(6) -0.1052(6) 0.0317(17) Uani 1 1 d . . .
H3AA H 0.7223 0.5361 -0.1133 0.038 Uiso 1 1 calc R . .
C4A C 0.8520(9) 0.5932(7) -0.1687(6) 0.041(2) Uani 1 1 d . . .
H4AB H 0.7855 0.5959 -0.2206 0.049 Uiso 1 1 calc R . .
C5A C 0.9903(8) 0.6267(6) -0.1556(6) 0.0350(18) Uani 1 1 d . . .
H5AA H 1.0155 0.6534 -0.1978 0.042 Uiso 1 1 calc R . .
C6A C 1.0874(7) 0.6202(6) -0.0813(6) 0.0310(17) Uani 1 1 d . . .
H6AA H 1.1792 0.6426 -0.0722 0.037 Uiso 1 1 calc R . .
C7A C 0.8757(7) 0.5091(5) 0.0404(5) 0.0225(15) Uani 1 1 d . . .
C8A C 0.9267(7) 0.3556(5) -0.0258(4) 0.0200(14) Uani 1 1 d . . .
C9A C 1.0639(7) 0.3873(5) -0.0150(5) 0.0224(14) Uani 1 1 d . . .
C10A C 1.1038(7) 0.3264(6) -0.0761(6) 0.0316(17) Uani 1 1 d . . .
H10G H 1.1946 0.3454 -0.0698 0.038 Uiso 1 1 calc R . .
C11A C 1.0056(7) 0.2355(6) -0.1480(5) 0.0289(16) Uani 1 1 d . . .
H11A H 1.0309 0.1956 -0.1907 0.035 Uiso 1 1 calc R . .
C12A C 0.8721(7) 0.2054(6) -0.1553(5) 0.0291(16) Uani 1 1 d . . .
H12A H 0.8084 0.1440 -0.2017 0.035 Uiso 1 1 calc R . .
C13A C 0.8321(6) 0.2662(5) -0.0939(4) 0.0221(14) Uani 1 1 d . . .
H13A H 0.7419 0.2462 -0.0992 0.027 Uiso 1 1 calc R . .
C14A C 1.1667(7) 0.4820(5) 0.0631(5) 0.0272(16) Uani 1 1 d . . .
C15A C 1.2475(8) 0.6754(6) 0.1317(6) 0.0382(19) Uani 1 1 d . . .
H15A H 1.3157 0.6639 0.1797 0.057 Uiso 1 1 calc R . .
H15B H 1.1963 0.7109 0.1585 0.057 Uiso 1 1 calc R . .
H15C H 1.2913 0.7173 0.1031 0.057 Uiso 1 1 calc R . .
C16A C 0.8527(8) 0.3657(6) 0.1059(5) 0.0307(17) Uani 1 1 d . . .
H16A H 0.8494 0.4163 0.1567 0.046 Uiso 1 1 calc R . .
H16B H 0.9219 0.3360 0.1298 0.046 Uiso 1 1 calc R . .
H16C H 0.7653 0.3113 0.0729 0.046 Uiso 1 1 calc R . .
S1B S 1.2052(2) 0.10158(16) 0.04047(15) 0.0376(5) Uani 1 1 d . . .
S2B S 0.71552(17) -0.15327(14) -0.00267(13) 0.0296(4) Uani 1 1 d . . .
N1B N 0.8653(5) 0.0444(4) 0.0945(4) 0.0215(12) Uani 1 1 d . . .
N2B N 1.1131(5) -0.0375(4) 0.1128(4) 0.0200(12) Uani 1 1 d . . .
C1B C 0.9765(6) 0.1273(5) 0.1715(4) 0.0181(13) Uani 1 1 d . . .
C2B C 1.1138(6) 0.1348(5) 0.1820(4) 0.0204(13) Uani 1 1 d . . .
C3B C 1.2186(8) 0.2181(6) 0.2556(5) 0.0313(17) Uani 1 1 d . . .
H3BA H 1.3093 0.2255 0.2645 0.038 Uiso 1 1 calc R . .
C4B C 1.1898(9) 0.2894(6) 0.3151(5) 0.039(2) Uani 1 1 d . . .
H4BA H 1.2612 0.3441 0.3645 0.047 Uiso 1 1 calc R . .
C5B C 1.0549(10) 0.2809(7) 0.3025(6) 0.045(2) Uani 1 1 d . . .
H5BA H 1.0369 0.3304 0.3428 0.054 Uiso 1 1 calc R . .
C6B C 0.9485(7) 0.1995(6) 0.2308(5) 0.0273(16) Uani 1 1 d . . .
H6BA H 0.8584 0.1933 0.2226 0.033 Uiso 1 1 calc R . .
C7B C 1.1395(6) 0.0601(5) 0.1134(5) 0.0209(15) Uani 1 1 d . . .
C8B C 1.0639(6) -0.0702(5) 0.1784(4) 0.0191(13) Uani 1 1 d . . .
C9B C 0.9310(6) -0.0767(5) 0.1679(4) 0.0196(14) Uani 1 1 d . . .
C10B C 0.8857(8) -0.1030(5) 0.2349(5) 0.0296(16) Uani 1 1 d . . .
H10H H 0.7987 -0.1048 0.2322 0.035 Uiso 1 1 calc R . .
C11B C 0.9734(8) -0.1258(6) 0.3045(5) 0.0351(18) Uani 1 1 d . . .
H11B H 0.9431 -0.1445 0.3482 0.042 Uiso 1 1 calc R . .
C12B C 1.1040(8) -0.1223(6) 0.3125(5) 0.0335(17) Uani 1 1 d . . .
H12B H 1.1601 -0.1388 0.3602 0.040 Uiso 1 1 calc R . .
C13B C 1.1501(7) -0.0937(6) 0.2484(5) 0.0275(16) Uani 1 1 d . . .
H13B H 1.2380 -0.0903 0.2524 0.033 Uiso 1 1 calc R . .
C14B C 0.8405(6) -0.0543(5) 0.0891(5) 0.0194(13) Uani 1 1 d . . .
C15B C 0.7768(8) 0.0758(6) 0.0222(6) 0.038(2) Uani 1 1 d . . .
H15D H 0.6878 0.0233 -0.0093 0.057 Uiso 1 1 calc R . .
H15E H 0.8170 0.0832 -0.0221 0.057 Uiso 1 1 calc R . .
H15F H 0.7684 0.1413 0.0510 0.057 Uiso 1 1 calc R . .
C16B C 1.1328(8) -0.1190(6) 0.0449(5) 0.0277(16) Uani 1 1 d . . .
H16D H 1.1173 -0.1037 -0.0121 0.042 Uiso 1 1 calc R . .
H16E H 1.0692 -0.1860 0.0323 0.042 Uiso 1 1 calc R . .
H16F H 1.2247 -0.1201 0.0704 0.042 Uiso 1 1 calc R . .
S1C S 0.40038(17) 0.55187(15) -0.10431(14) 0.0335(5) Uani 1 1 d . . .
O1C O 0.1322(6) 0.2424(4) -0.3383(4) 0.0432(14) Uani 1 1 d . . .
O2C O 0.5381(5) 0.5603(5) -0.0981(4) 0.0480(17) Uani 1 1 d . . .
O3C O 0.3580(5) 0.6378(4) -0.1257(4) 0.0409(14) Uani 1 1 d . . .
O4C O 0.3833(5) 0.5362(5) -0.0210(4) 0.0413(14) Uani 1 1 d . . .
C1C C 0.2608(7) 0.4277(6) -0.2969(5) 0.0299(16) Uani 1 1 d . . .
C2C C 0.1861(8) 0.3127(6) -0.3610(5) 0.0335(18) Uani 1 1 d . . .
C3C C 0.1917(11) 0.3051(7) -0.4547(6) 0.053(2) Uani 1 1 d . . .
H3CA H 0.1008 0.2804 -0.5037 0.063 Uiso 1 1 calc R . .
H3CB H 0.2424 0.2598 -0.4703 0.063 Uiso 1 1 calc R . .
C4C C 0.2668(11) 0.4180(8) -0.4374(7) 0.062(3) Uani 1 1 d . . .
H4CA H 0.3080 0.4263 -0.4823 0.074 Uiso 1 1 calc R . .
C5C C 0.1730(11) 0.4799(8) -0.4330(7) 0.059(3) Uani 1 1 d . . .
H5CA H 0.0844 0.4456 -0.4847 0.071 Uiso 1 1 calc R . .
H5CB H 0.2119 0.5498 -0.4330 0.071 Uiso 1 1 calc R . .
C6C C 0.1616(8) 0.4827(6) -0.3384(5) 0.0369(18) Uani 1 1 d . . .
H6CA H 0.1886 0.5541 -0.2977 0.044 Uiso 1 1 calc R . .
H6CB H 0.0687 0.4457 -0.3481 0.044 Uiso 1 1 calc R . .
C7C C 0.3753(9) 0.4561(7) -0.3345(6) 0.051(2) Uani 1 1 d . . .
C8C C 0.4542(10) 0.5742(7) -0.3019(7) 0.057(3) Uani 1 1 d . . .
H8CA H 0.5208 0.5963 -0.2392 0.086 Uiso 1 1 calc R . .
H8CB H 0.3910 0.6125 -0.3041 0.086 Uiso 1 1 calc R . .
H8CC H 0.4997 0.5874 -0.3423 0.086 Uiso 1 1 calc R . .
C9C C 0.4712(9) 0.3942(8) -0.3165(8) 0.066(3) Uani 1 1 d . . .
H9CA H 0.5336 0.4229 -0.2522 0.099 Uiso 1 1 calc R . .
H9CB H 0.5218 0.3974 -0.3555 0.099 Uiso 1 1 calc R . .
H9CC H 0.4193 0.3227 -0.3303 0.099 Uiso 1 1 calc R . .
C10C C 0.2906(7) 0.4343(6) -0.1963(5) 0.0341(18) Uani 1 1 d . . .
H10B H 0.3288 0.3797 -0.1860 0.041 Uiso 1 1 calc R . .
H10C H 0.2034 0.4169 -0.1901 0.041 Uiso 1 1 calc R . .
S1D S 1.45209(16) 0.21913(12) -0.08141(11) 0.0194(3) Uani 1 1 d . . .
O1D O 1.5769(5) 0.0202(4) -0.1848(4) 0.0381(13) Uani 1 1 d . . .
O2D O 1.5391(5) 0.3203(4) -0.0744(3) 0.0292(11) Uani 1 1 d . . .
O3D O 1.5296(5) 0.1682(4) -0.0249(3) 0.0240(10) Uani 1 1 d . . .
O4D O 1.3300(5) 0.2246(4) -0.0644(3) 0.0272(11) Uani 1 1 d . . .
C1D C 1.3428(7) 0.0220(5) -0.2254(5) 0.0264(15) Uani 1 1 d . . .
C2D C 1.4554(7) -0.0258(5) -0.2193(5) 0.0288(16) Uani 1 1 d . . .
C3D C 1.3813(9) -0.1431(6) -0.2726(6) 0.042(2) Uani 1 1 d . . .
H3DC H 1.4103 -0.1674 -0.3226 0.050 Uiso 1 1 calc R . .
H3DD H 1.3974 -0.1836 -0.2313 0.050 Uiso 1 1 calc R . .
C4D C 1.2323(8) -0.1498(6) -0.3107(6) 0.0392(19) Uani 1 1 d . . .
H4DA H 1.1729 -0.2116 -0.3656 0.047 Uiso 1 1 calc R . .
C5D C 1.1882(10) -0.1381(7) -0.2298(7) 0.049(2) Uani 1 1 d . . .
H5DA H 1.2132 -0.1847 -0.1963 0.059 Uiso 1 1 calc R . .
H5DB H 1.0901 -0.1519 -0.2508 0.059 Uiso 1 1 calc R . .
C6D C 1.2671(8) -0.0242(6) -0.1694(6) 0.0376(19) Uani 1 1 d . . .
H6DA H 1.3320 -0.0190 -0.1095 0.045 Uiso 1 1 calc R . .
H6DB H 1.2050 0.0126 -0.1589 0.045 Uiso 1 1 calc R . .
C7D C 1.2413(8) -0.0435(6) -0.3283(5) 0.0355(19) Uani 1 1 d . . .
C8D C 1.1039(9) -0.0236(7) -0.3548(7) 0.060(3) Uani 1 1 d . . .
H8DA H 1.0643 -0.0352 -0.3111 0.090 Uiso 1 1 calc R . .
H8DB H 1.0431 -0.0704 -0.4164 0.090 Uiso 1 1 calc R . .
H8DC H 1.1182 0.0473 -0.3536 0.090 Uiso 1 1 calc R . .
C9D C 1.3064(11) -0.0258(8) -0.3989(5) 0.053(2) Uani 1 1 d . . .
H9DA H 1.2419 -0.0677 -0.4611 0.080 Uiso 1 1 calc R . .
H9DB H 1.3875 -0.0453 -0.3856 0.080 Uiso 1 1 calc R . .
H9DC H 1.3298 0.0467 -0.3936 0.080 Uiso 1 1 calc R . .
C10D C 1.3943(7) 0.1415(5) -0.2027(5) 0.0245(15) Uani 1 1 d . . .
H10A H 1.3209 0.1612 -0.2393 0.029 Uiso 1 1 calc R . .
H10D H 1.4693 0.1588 -0.2225 0.029 Uiso 1 1 calc R . .
S1E S 1.55767(17) -0.00388(14) 0.22701(12) 0.0275(4) Uani 1 1 d . . .
O2E O 1.5823(6) -0.0990(4) 0.2377(4) 0.0404(13) Uani 1 1 d . . .
O3E O 1.4232(5) -0.0009(5) 0.2189(4) 0.0422(15) Uani 1 1 d . . .
O4E O 1.5899(5) 0.0193(5) 0.1496(4) 0.0363(13) Uani 1 1 d . . .
O1E O 1.8571(7) 0.2836(5) 0.4800(5) 0.0605(19) Uani 1 1 d D . .
C1E C 1.6598(7) 0.1221(5) 0.4195(5) 0.0263(16) Uani 1 1 d D . .
C2E C 1.7773(9) 0.2172(7) 0.4937(6) 0.043(2) Uani 1 1 d D . .
C3E C 1.7787(10) 0.2174(8) 0.5866(6) 0.062(3) Uani 1 1 d D . .
H3EA H 1.7668 0.2803 0.6194 0.074 Uiso 1 1 calc R . .
H3EB H 1.8628 0.2104 0.6251 0.074 Uiso 1 1 calc R . .
C4E C 1.6562(8) 0.1215(7) 0.5589(6) 0.046(2) Uani 1 1 d D . .
H4EA H 1.6556 0.0935 0.6093 0.055 Uiso 1 1 calc R . .
C5E C 1.5298(9) 0.1490(7) 0.5156(6) 0.043(2) Uani 1 1 d D . .
H5EA H 1.5342 0.2156 0.5547 0.052 Uiso 1 1 calc R . .
H5EB H 1.4476 0.0955 0.5064 0.052 Uiso 1 1 calc R . .
C6E C 1.5314(8) 0.1552(6) 0.4212(5) 0.0327(17) Uani 1 1 d D . .
H6EA H 1.5430 0.2255 0.4192 0.039 Uiso 1 1 calc R . .
H6EB H 1.4480 0.1072 0.3695 0.039 Uiso 1 1 calc R . .
C7E C 1.6620(7) 0.0456(5) 0.4747(5) 0.0332(18) Uani 1 1 d D . .
C8E C 1.5354(8) -0.0577(6) 0.4297(6) 0.0392(19) Uani 1 1 d D . .
H8EA H 1.5463 -0.0998 0.4691 0.059 Uiso 1 1 calc R . .
H8EB H 1.5294 -0.0958 0.3695 0.059 Uiso 1 1 calc R . .
H8EC H 1.4532 -0.0405 0.4231 0.059 Uiso 1 1 calc R . .
C9E C 1.7886(8) 0.0117(8) 0.4927(7) 0.047(2) Uani 1 1 d D . .
H9EA H 1.8693 0.0725 0.5201 0.071 Uiso 1 1 calc R . .
H9EB H 1.7847 -0.0311 0.4349 0.071 Uiso 1 1 calc R . .
H9EC H 1.7916 -0.0274 0.5346 0.071 Uiso 1 1 calc R . .
C10E C 1.6792(7) 0.1035(6) 0.3283(5) 0.0271(15) Uani 1 1 d D . .
H10E H 1.7684 0.0952 0.3399 0.033 Uiso 1 1 calc R . .
H10F H 1.6830 0.1667 0.3125 0.033 Uiso 1 1 calc R . .
S1F S 0.61825(17) 0.35560(15) 0.24108(12) 0.0269(4) Uani 1 1 d . . 2
O2F O 0.7476(14) 0.3424(13) 0.2629(10) 0.045(4) Uani 0.406(8) 1 d PU . 2
O3F O 0.4855(19) 0.2656(15) 0.1864(13) 0.069(5) Uani 0.406(8) 1 d PU . 2
O4F O 0.594(2) 0.4186(14) 0.1843(12) 0.047(4) Uani 0.406(8) 1 d PU . 2
O1F O 0.480(2) 0.509(3) 0.454(3) 0.163(14) Uiso 0.406(8) 1 d PD . 2
C1F C 0.6938(15) 0.5253(10) 0.4165(10) 0.029(4) Uiso 0.406(8) 1 d PD . 2
C2F C 0.602(2) 0.544(2) 0.4705(16) 0.080(9) Uiso 0.406(8) 1 d PD . 2
C3F C 0.691(2) 0.627(2) 0.5610(15) 0.073(8) Uiso 0.406(8) 1 d PD . 2
H3F1 H 0.6986 0.6004 0.6125 0.088 Uiso 0.406(8) 1 calc PR . 2
H3F2 H 0.6569 0.6851 0.5701 0.088 Uiso 0.406(8) 1 calc PR . 2
C4F C 0.8249(18) 0.6575(14) 0.5518(11) 0.048(6) Uiso 0.406(8) 1 d PD . 2
H4F H 0.8876 0.7277 0.5926 0.058 Uiso 0.406(8) 1 calc PR . 2
C5F C 0.881(2) 0.5690(15) 0.5632(13) 0.052(6) Uiso 0.406(8) 1 d PD . 2
H5F1 H 0.9752 0.5876 0.5696 0.062 Uiso 0.406(8) 1 calc PR . 2
H5F2 H 0.8759 0.5533 0.6180 0.062 Uiso 0.406(8) 1 calc PR . 2
C6F C 0.791(2) 0.4759(16) 0.4756(15) 0.073(8) Uiso 0.406(8) 1 d PD . 2
H6F1 H 0.7387 0.4200 0.4894 0.088 Uiso 0.406(8) 1 calc PR . 2
H6F2 H 0.8442 0.4495 0.4436 0.088 Uiso 0.406(8) 1 calc PR . 2
C7F C 0.7787(18) 0.6392(13) 0.4469(12) 0.053(6) Uiso 0.406(8) 1 d PD . 2
C8F C 0.907(2) 0.663(2) 0.4179(19) 0.070(8) Uiso 0.406(8) 1 d PD . 2
H8F1 H 0.9601 0.6194 0.4343 0.104 Uiso 0.406(8) 1 calc PR . 2
H8F2 H 0.9631 0.7353 0.4502 0.104 Uiso 0.406(8) 1 calc PR . 2
H8F3 H 0.8750 0.6497 0.3518 0.104 Uiso 0.406(8) 1 calc PR . 2
C9F C 0.718(3) 0.7202(19) 0.4211(19) 0.070(8) Uiso 0.406(8) 1 d PD . 2
H9F1 H 0.7878 0.7874 0.4479 0.105 Uiso 0.406(8) 1 calc PR . 2
H9F2 H 0.6473 0.7230 0.4445 0.105 Uiso 0.406(8) 1 calc PR . 2
H9F3 H 0.6786 0.7016 0.3544 0.105 Uiso 0.406(8) 1 calc PR . 2
C10F C 0.594(2) 0.4261(18) 0.3323(15) 0.079(9) Uiso 0.406(8) 1 d PD . 2
H10I H 0.5148 0.4455 0.3040 0.095 Uiso 1 1 calc R . 2
H10J H 0.5636 0.3758 0.3602 0.095 Uiso 1 1 calc R . 2
O4' O 0.5310(9) 0.3007(7) 0.2791(6) 0.034(2) Uani 0.594(8) 1 d PU . 3
O2' O 0.5451(12) 0.3716(11) 0.1578(9) 0.050(3) Uani 0.594(8) 1 d PU . 3
O3' O 0.6786(11) 0.2740(8) 0.2053(7) 0.046(3) Uani 0.594(8) 1 d PU . 3
O1' O 0.988(2) 0.634(3) 0.454(3) 0.239(16) Uiso 0.594(8) 1 d PD . 3
C1' C 0.7351(13) 0.5490(9) 0.3873(9) 0.042(3) Uiso 0.594(8) 1 d PD . 3
C2' C 0.8742(19) 0.6329(18) 0.4470(18) 0.126(11) Uiso 0.594(8) 1 d PD . 3
C3' C 0.8448(19) 0.7140(16) 0.5072(16) 0.098(8) Uiso 0.594(8) 1 d PD . 3
H3'1 H 0.8671 0.7791 0.4947 0.118 Uiso 0.594(8) 1 calc PR . 3
H3'2 H 0.8968 0.7266 0.5726 0.118 Uiso 0.594(8) 1 calc PR . 3
C4' C 0.6963(19) 0.6711(14) 0.4831(14) 0.099(7) Uiso 0.594(8) 1 d PD . 3
H4' H 0.6652 0.7005 0.5312 0.118 Uiso 0.594(8) 1 calc PR . 3
C5' C 0.626(3) 0.681(2) 0.3871(17) 0.154 Uiso 0.594(8) 1 d PD . 3
H5'1 H 0.5270 0.6557 0.3664 0.185 Uiso 0.594(8) 1 calc PR . 3
H5'2 H 0.6550 0.7529 0.3894 0.185 Uiso 0.594(8) 1 calc PR . 3
C6' C 0.673(3) 0.612(2) 0.3227(15) 0.119(9) Uiso 0.594(8) 1 d PD . 3
H6'1 H 0.7423 0.6537 0.3080 0.143 Uiso 0.594(8) 1 calc PR . 3
H6'2 H 0.5970 0.5657 0.2653 0.143 Uiso 0.594(8) 1 calc PR . 3
C7' C 0.6643(16) 0.5535(13) 0.4536(12) 0.076(6) Uiso 0.594(8) 1 d PD . 3
C8' C 0.5004(15) 0.4936(16) 0.4065(15) 0.074(6) Uiso 0.594(8) 1 d PD . 3
H8'1 H 0.4646 0.5003 0.4542 0.110 Uiso 0.594(8) 1 calc PR . 3
H8'2 H 0.4820 0.4209 0.3750 0.110 Uiso 0.594(8) 1 calc PR . 3
H8'3 H 0.4577 0.5240 0.3625 0.110 Uiso 0.594(8) 1 calc PR . 3
C9' C 0.716(2) 0.5048(17) 0.5248(14) 0.090(7) Uiso 0.594(8) 1 d PD . 3
H9'1 H 0.6675 0.5091 0.5652 0.134 Uiso 0.594(8) 1 calc PR . 3
H9'2 H 0.8121 0.5412 0.5609 0.134 Uiso 0.594(8) 1 calc PR . 3
H9'3 H 0.7021 0.4328 0.4941 0.134 Uiso 0.594(8) 1 calc PR . 3
C10' C 0.7586(15) 0.4531(11) 0.3332(10) 0.050(4) Uiso 0.594(8) 1 d PD . 3
O1W O 0.5805(6) 0.6993(4) 0.1456(5) 0.0465(15) Uani 1 1 d . A 4
O2W O 1.3817(5) -0.1641(5) -0.0101(5) 0.0575(19) Uani 1 1 d . B 4
C1X C 1.2215(19) -0.403(2) -0.6144(14) 0.146(8) Uani 1 1 d . C 4
Cl1X Cl 1.3270(6) -0.2918(4) -0.5282(4) 0.1459(19) Uani 1 1 d . C 4
Cl2X Cl 1.0989(7) -0.3950(5) -0.7028(4) 0.1241(19) Uani 0.80 1 d P C 4
Cl3X Cl 1.184(3) -0.462(2) -0.704(3) 0.21(2) Uani 0.20 1 d P C 4
C1Y C 1.7416(16) -0.1333(13) -0.2209(10) 0.100(5) Uani 1 1 d . D 4
Cl1Y Cl 1.9136(4) -0.0606(4) -0.1530(3) 0.1143(14) Uani 1 1 d . D 4
Cl2Y Cl 1.6985(6) -0.1145(5) -0.3343(3) 0.0886(17) Uani 0.68 1 d P D 4
Cl3Y Cl 1.8302(12) -0.1953(10) -0.2018(9) 0.040(3) Uiso 0.16 1 d P D 4
Cl4Y Cl 1.7895(16) -0.0606(11) -0.3110(10) 0.042(3) Uiso 0.16 1 d P D 4
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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
S2B Ag1 S1A 164.25(7) 1_565 . ?
S2B Ag1 O2C 96.44(17) 1_565 . ?
S1A Ag1 O2C 95.99(16) . . ?
O3F Ag2 S1B 80.5(5) 1_655 . ?
O3F Ag2 S2A 111.0(5) 1_655 . ?
S1B Ag2 S2A 163.18(9) . . ?
O3F Ag3 O4E 116.2(5) 1_655 . ?
O3F Ag3 O3D 102.2(5) 1_655 . ?
O4E Ag3 O3D 108.80(17) . . ?
O3F Ag3 S1B 81.9(5) 1_655 . ?
O4E Ag3 S1B 134.96(15) . . ?
O3D Ag3 S1B 106.48(11) . . ?
O4F Ag4 O2' 16.6(4) . . ?
O4F Ag4 O2D 110.7(4) . 1_455 ?
O2' Ag4 O2D 98.4(4) . 1_455 ?
O4F Ag4 O4C 128.1(5) . . ?
O2' Ag4 O4C 124.9(3) . . ?
O2D Ag4 O4C 104.35(17) 1_455 . ?
O4F Ag4 S1A 91.8(5) . . ?
O2' Ag4 S1A 105.7(3) . . ?
O2D Ag4 S1A 101.57(13) 1_455 . ?
O4C Ag4 S1A 117.51(15) . . ?
C7A S1A Ag1 107.9(2) . . ?
C7A S1A Ag4 102.8(2) . . ?
Ag1 S1A Ag4 85.87(7) . . ?
C14A S2A Ag2 103.8(3) . . ?
C14A N1A C1A 119.7(6) . . ?
C14A N1A C15A 124.4(6) . . ?
C1A N1A C15A 115.8(6) . . ?
C7A N2A C8A 121.4(6) . . ?
C7A N2A C16A 124.1(6) . . ?
C8A N2A C16A 114.4(5) . . ?
C2A C1A C6A 121.1(6) . . ?
C2A C1A N1A 120.2(6) . . ?
C6A C1A N1A 118.7(6) . . ?
C1A C2A C3A 119.1(6) . . ?
C1A C2A C7A 119.7(6) . . ?
C3A C2A C7A 121.2(6) . . ?
C4A C3A C2A 119.7(7) . . ?
C4A C3A H3AA 120.2 . . ?
C2A C3A H3AA 120.2 . . ?
C3A C4A C5A 120.6(7) . . ?
C3A C4A H4AB 119.7 . . ?
C5A C4A H4AB 119.7 . . ?
C6A C5A C4A 119.9(7) . . ?
C6A C5A H5AA 120.0 . . ?
C4A C5A H5AA 120.0 . . ?
C5A C6A C1A 119.7(7) . . ?
C5A C6A H6AA 120.2 . . ?
C1A C6A H6AA 120.2 . . ?
N2A C7A C2A 117.2(6) . . ?
N2A C7A S1A 121.3(6) . . ?
C2A C7A S1A 121.6(5) . . ?
C13A C8A C9A 121.8(6) . . ?
C13A C8A N2A 119.3(6) . . ?
C9A C8A N2A 118.7(6) . . ?
C10A C9A C8A 118.8(6) . . ?
C10A C9A C14A 120.4(6) . . ?
C8A C9A C14A 120.8(6) . . ?
C9A C10A C11A 119.4(6) . . ?
C9A C10A H10G 120.3 . . ?
C11A C10A H10G 120.3 . . ?
C12A C11A C10A 120.2(6) . . ?
C12A C11A H11A 119.9 . . ?
C10A C11A H11A 119.9 . . ?
C11A C12A C13A 120.4(6) . . ?
C11A C12A H12A 119.8 . . ?
C13A C12A H12A 119.8 . . ?
C8A C13A C12A 119.3(6) . . ?
C8A C13A H13A 120.4 . . ?
C12A C13A H13A 120.4 . . ?
N1A C14A C9A 117.3(6) . . ?
N1A C14A S2A 122.0(5) . . ?
C9A C14A S2A 120.6(5) . . ?
N1A C15A H15A 109.5 . . ?
N1A C15A H15B 109.5 . . ?
H15A C15A H15B 109.5 . . ?
N1A C15A H15C 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
N2A C16A H16A 109.5 . . ?
N2A C16A H16B 109.5 . . ?
H16A C16A H16B 109.5 . . ?
N2A C16A H16C 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
C7B S1B Ag2 108.0(2) . . ?
C7B S1B Ag3 111.4(2) . . ?
Ag2 S1B Ag3 87.67(8) . . ?
C14B S2B Ag1 101.3(2) . 1_545 ?
C14B N1B C1B 122.1(5) . . ?
C14B N1B C15B 121.4(5) . . ?
C1B N1B C15B 116.5(5) . . ?
C7B N2B C8B 121.8(6) . . ?
C7B N2B C16B 121.8(6) . . ?
C8B N2B C16B 116.5(5) . . ?
C6B C1B C2B 121.7(6) . . ?
C6B C1B N1B 119.3(6) . . ?
C2B C1B N1B 118.9(5) . . ?
C3B C2B C1B 117.3(6) . . ?
C3B C2B C7B 122.5(6) . . ?
C1B C2B C7B 120.1(6) . . ?
C4B C3B C2B 120.7(7) . . ?
C4B C3B H3BA 119.7 . . ?
C2B C3B H3BA 119.7 . . ?
C3B C4B C5B 120.8(7) . . ?
C3B C4B H4BA 119.6 . . ?
C5B C4B H4BA 119.6 . . ?
C6B C5B C4B 120.2(7) . . ?
C6B C5B H5BA 119.9 . . ?
C4B C5B H5BA 119.9 . . ?
C1B C6B C5B 119.3(7) . . ?
C1B C6B H6BA 120.3 . . ?
C5B C6B H6BA 120.3 . . ?
N2B C7B C2B 117.8(6) . . ?
N2B C7B S1B 122.5(5) . . ?
C2B C7B S1B 119.8(5) . . ?
C13B C8B C9B 122.7(6) . . ?
C13B C8B N2B 119.1(6) . . ?
C9B C8B N2B 118.2(6) . . ?
C8B C9B C10B 118.1(6) . . ?
C8B C9B C14B 120.5(6) . . ?
C10B C9B C14B 121.4(6) . . ?
C11B C10B C9B 118.3(7) . . ?
C11B C10B H10H 120.9 . . ?
C9B C10B H10H 120.9 . . ?
C10B C11B C12B 123.1(7) . . ?
C10B C11B H11B 118.5 . . ?
C12B C11B H11B 118.5 . . ?
C11B C12B C13B 118.8(7) . . ?
C11B C12B H12B 120.6 . . ?
C13B C12B H12B 120.6 . . ?
C8B C13B C12B 119.0(7) . . ?
C8B C13B H13B 120.5 . . ?
C12B C13B H13B 120.5 . . ?
N1B C14B C9B 117.1(5) . . ?
N1B C14B S2B 123.0(5) . . ?
C9B C14B S2B 119.9(5) . . ?
N1B C15B H15D 109.5 . . ?
N1B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
N1B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
N2B C16B H16D 109.5 . . ?
N2B C16B H16E 109.5 . . ?
H16D C16B H16E 109.5 . . ?
N2B C16B H16F 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
O2C S1C O3C 113.0(4) . . ?
O2C S1C O4C 111.0(4) . . ?
O3C S1C O4C 112.9(3) . . ?
O2C S1C C10C 106.3(3) . . ?
O3C S1C C10C 108.4(4) . . ?
O4C S1C C10C 104.6(4) . . ?
S1C O2C Ag1 116.5(3) . . ?
S1C O4C Ag4 108.2(3) . . ?
C10C C1C C6C 116.7(6) . . ?
C10C C1C C2C 109.3(6) . . ?
C6C C1C C2C 102.4(6) . . ?
C10C C1C C7C 123.4(6) . . ?
C6C C1C C7C 102.8(7) . . ?
C2C C1C C7C 99.1(6) . . ?
O1C C2C C3C 127.4(7) . . ?
O1C C2C C1C 125.0(7) . . ?
C3C C2C C1C 107.5(7) . . ?
C2C C3C C4C 100.7(7) . . ?
C2C C3C H3CA 111.6 . . ?
C4C C3C H3CA 111.6 . . ?
C2C C3C H3CB 111.6 . . ?
C4C C3C H3CB 111.6 . . ?
H3CA C3C H3CB 109.4 . . ?
C5C C4C C3C 109.1(8) . . ?
C5C C4C C7C 104.4(8) . . ?
C3C C4C C7C 103.4(8) . . ?
C5C C4C H4CA 113.0 . . ?
C3C C4C H4CA 113.0 . . ?
C7C C4C H4CA 113.0 . . ?
C4C C5C C6C 102.1(8) . . ?
C4C C5C H5CA 111.4 . . ?
C6C C5C H5CA 111.4 . . ?
C4C C5C H5CB 111.4 . . ?
C6C C5C H5CB 111.4 . . ?
H5CA C5C H5CB 109.2 . . ?
C1C C6C C5C 104.3(7) . . ?
C1C C6C H6CA 110.9 . . ?
C5C C6C H6CA 110.9 . . ?
C1C C6C H6CB 110.9 . . ?
C5C C6C H6CB 110.9 . . ?
H6CA C6C H6CB 108.9 . . ?
C9C C7C C8C 111.6(8) . . ?
C9C C7C C1C 111.8(8) . . ?
C8C C7C C1C 114.7(7) . . ?
C9C C7C C4C 115.3(8) . . ?
C8C C7C C4C 110.4(9) . . ?
C1C C7C C4C 91.8(6) . . ?
C7C C8C H8CA 109.5 . . ?
C7C C8C H8CB 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
C7C C8C H8CC 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C7C C9C H9CA 109.5 . . ?
C7C C9C H9CB 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
C7C C9C H9CC 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
C1C C10C S1C 120.1(6) . . ?
C1C C10C H10B 107.3 . . ?
S1C C10C H10B 107.3 . . ?
C1C C10C H10C 107.3 . . ?
S1C C10C H10C 107.3 . . ?
H10B C10C H10C 106.9 . . ?
O4D S1D O3D 112.7(3) . . ?
O4D S1D O2D 113.2(3) . . ?
O3D S1D O2D 112.1(3) . . ?
O4D S1D C10D 106.8(3) . . ?
O3D S1D C10D 107.9(3) . . ?
O2D S1D C10D 103.4(3) . . ?
S1D O2D Ag4 112.9(3) . 1_655 ?
S1D O3D Ag3 119.6(3) . . ?
C2D C1D C10D 112.9(6) . . ?
C2D C1D C6D 105.1(6) . . ?
C10D C1D C6D 119.5(6) . . ?
C2D C1D C7D 99.4(5) . . ?
C10D C1D C7D 115.8(6) . . ?
C6D C1D C7D 101.7(6) . . ?
O1D C2D C1D 126.8(6) . . ?
O1D C2D C3D 127.8(7) . . ?
C1D C2D C3D 105.3(6) . . ?
C4D C3D C2D 102.6(6) . . ?
C4D C3D H3DC 111.2 . . ?
C2D C3D H3DC 111.2 . . ?
C4D C3D H3DD 111.2 . . ?
C2D C3D H3DD 111.2 . . ?
H3DC C3D H3DD 109.2 . . ?
C5D C4D C3D 106.7(7) . . ?
C5D C4D C7D 103.4(7) . . ?
C3D C4D C7D 102.4(6) . . ?
C5D C4D H4DA 114.4 . . ?
C3D C4D H4DA 114.4 . . ?
C7D C4D H4DA 114.4 . . ?
C4D C5D C6D 102.9(7) . . ?
C4D C5D H5DA 111.2 . . ?
C6D C5D H5DA 111.2 . . ?
C4D C5D H5DB 111.2 . . ?
C6D C5D H5DB 111.2 . . ?
H5DA C5D H5DB 109.1 . . ?
C5D C6D C1D 105.2(6) . . ?
C5D C6D H6DA 110.7 . . ?
C1D C6D H6DA 110.7 . . ?
C5D C6D H6DB 110.7 . . ?
C1D C6D H6DB 110.7 . . ?
H6DA C6D H6DB 108.8 . . ?
C8D C7D C9D 110.1(8) . . ?
C8D C7D C1D 113.3(7) . . ?
C9D C7D C1D 111.6(6) . . ?
C8D C7D C4D 112.9(7) . . ?
C9D C7D C4D 115.0(7) . . ?
C1D C7D C4D 93.0(6) . . ?
C7D C8D H8DA 109.5 . . ?
C7D C8D H8DB 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
C7D C8D H8DC 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C7D C9D H9DA 109.5 . . ?
C7D C9D H9DB 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
C7D C9D H9DC 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
C1D C10D S1D 115.5(5) . . ?
C1D C10D H10A 108.4 . . ?
S1D C10D H10A 108.4 . . ?
C1D C10D H10D 108.4 . . ?
S1D C10D H10D 108.4 . . ?
H10A C10D H10D 107.5 . . ?
O3E S1E O2E 114.5(4) . . ?
O3E S1E O4E 111.5(3) . . ?
O2E S1E O4E 111.3(3) . . ?
O3E S1E C10E 107.1(3) . . ?
O2E S1E C10E 107.9(3) . . ?
O4E S1E C10E 103.7(3) . . ?
S1E O4E Ag3 109.5(3) . . ?
C10E C1E C2E 109.0(6) . . ?
C10E C1E C7E 124.7(6) . . ?
C2E C1E C7E 99.2(6) . . ?
C10E C1E C6E 116.2(5) . . ?
C2E C1E C6E 101.6(6) . . ?
C7E C1E C6E 102.8(6) . . ?
O1E C2E C3E 125.3(8) . . ?
O1E C2E C1E 126.5(8) . . ?
C3E C2E C1E 108.2(7) . . ?
C2E C3E C4E 101.0(7) . . ?
C2E C3E H3EA 111.6 . . ?
C4E C3E H3EA 111.6 . . ?
C2E C3E H3EB 111.6 . . ?
C4E C3E H3EB 111.6 . . ?
H3EA C3E H3EB 109.4 . . ?
C5E C4E C3E 106.8(8) . . ?
C5E C4E C7E 103.0(6) . . ?
C3E C4E C7E 102.9(7) . . ?
C5E C4E H4EA 114.3 . . ?
C3E C4E H4EA 114.3 . . ?
C7E C4E H4EA 114.3 . . ?
C4E C5E C6E 104.3(6) . . ?
C4E C5E H5EA 110.9 . . ?
C6E C5E H5EA 110.9 . . ?
C4E C5E H5EB 110.9 . . ?
C6E C5E H5EB 110.9 . . ?
H5EA C5E H5EB 108.9 . . ?
C5E C6E C1E 102.1(6) . . ?
C5E C6E H6EA 111.3 . . ?
C1E C6E H6EA 111.3 . . ?
C5E C6E H6EB 111.3 . . ?
C1E C6E H6EB 111.3 . . ?
H6EA C6E H6EB 109.2 . . ?
C9E C7E C4E 116.6(6) . . ?
C9E C7E C1E 112.9(6) . . ?
C4E C7E C1E 94.2(6) . . ?
C9E C7E C8E 106.2(6) . . ?
C4E C7E C8E 111.3(7) . . ?
C1E C7E C8E 115.8(6) . . ?
C7E C8E H8EA 109.5 . . ?
C7E C8E H8EB 109.5 . . ?
H8EA C8E H8EB 109.5 . . ?
C7E C8E H8EC 109.5 . . ?
H8EA C8E H8EC 109.5 . . ?
H8EB C8E H8EC 109.5 . . ?
C7E C9E H9EA 109.5 . . ?
C7E C9E H9EB 109.5 . . ?
H9EA C9E H9EB 109.5 . . ?
C7E C9E H9EC 109.5 . . ?
H9EA C9E H9EC 109.5 . . ?
H9EB C9E H9EC 109.5 . . ?
C1E C10E S1E 119.9(5) . . ?
C1E C10E H10E 107.4 . . ?
S1E C10E H10E 107.4 . . ?
C1E C10E H10F 107.4 . . ?
S1E C10E H10F 107.4 . . ?
H10E C10E H10F 106.9 . . ?
O2F S1F O4F 114.3(10) . . ?
O2F S1F O3F 122.9(10) . . ?
O4F S1F O3F 97.8(11) . . ?
O2F S1F C10F 115.3(10) . . ?
O4F S1F C10F 98.1(12) . . ?
O3F S1F C10F 104.5(11) . . ?
S1F O3F Ag3 126.1(11) . 1_455 ?
S1F O3F Ag2 121.4(11) . 1_455 ?
Ag3 O3F Ag2 97.3(7) 1_455 1_455 ?
S1F O4F Ag4 156.7(11) . . ?
C7F C1F C2F 96.1(13) . . ?
C7F C1F C10F 145.6(16) . . ?
C2F C1F C10F 100.8(14) . . ?
C7F C1F C6F 104.9(12) . . ?
C2F C1F C6F 102.6(16) . . ?
C10F C1F C6F 100.4(14) . . ?
O1F C2F C3F 118(2) . . ?
O1F C2F C1F 136(2) . . ?
C3F C2F C1F 106.9(14) . . ?
C2F C3F C4F 102.6(14) . . ?
C2F C3F H3F1 111.2 . . ?
C4F C3F H3F1 111.2 . . ?
C2F C3F H3F2 111.2 . . ?
C4F C3F H3F2 111.2 . . ?
H3F1 C3F H3F2 109.2 . . ?
C3F C4F C5F 104.4(17) . . ?
C3F C4F C7F 101.6(13) . . ?
C5F C4F C7F 103.3(13) . . ?
C3F C4F H4F 115.2 . . ?
C5F C4F H4F 115.2 . . ?
C7F C4F H4F 115.2 . . ?
C6F C5F C4F 105.8(13) . . ?
C6F C5F H5F1 110.6 . . ?
C4F C5F H5F1 110.6 . . ?
C6F C5F H5F2 110.6 . . ?
C4F C5F H5F2 110.6 . . ?
H5F1 C5F H5F2 108.7 . . ?
C5F C6F C1F 101.7(12) . . ?
C5F C6F H6F1 111.4 . . ?
C1F C6F H6F1 111.4 . . ?
C5F C6F H6F2 111.4 . . ?
C1F C6F H6F2 111.4 . . ?
H6F1 C6F H6F2 109.3 . . ?
C9F C7F C1F 122.5(16) . . ?
C9F C7F C4F 111.3(15) . . ?
C1F C7F C4F 95.3(11) . . ?
C9F C7F C8F 100.2(15) . . ?
C1F C7F C8F 116.5(15) . . ?
C4F C7F C8F 111.4(15) . . ?
C7F C8F H8F1 109.5 . . ?
C7F C8F H8F2 109.5 . . ?
H8F1 C8F H8F2 109.5 . . ?
C7F C8F H8F3 109.5 . . ?
H8F1 C8F H8F3 109.5 . . ?
H8F2 C8F H8F3 109.5 . . ?
C7F C9F H9F1 109.5 . . ?
C7F C9F H9F2 109.5 . . ?
H9F1 C9F H9F2 109.5 . . ?
C7F C9F H9F3 109.5 . . ?
H9F1 C9F H9F3 109.5 . . ?
H9F2 C9F H9F3 109.5 . . ?
C1F C10F S1F 130.2(18) . . ?
C1F C10F H10I 104.7 . . ?
S1F C10F H10I 104.7 . . ?
C1F C10F H10J 104.7 . . ?
S1F C10F H10J 104.7 . . ?
H10I C10F H10J 105.7 . . ?
C7' C1' C2' 102.2(13) . . ?
C7' C1' C10' 127.3(12) . . ?
C2' C1' C10' 108.1(12) . . ?
C7' C1' C6' 104.3(12) . . ?
C2' C1' C6' 97.5(15) . . ?
C10' C1' C6' 113.0(12) . . ?
O1' C2' C3' 124(2) . . ?
O1' C2' C1' 131(2) . . ?
C3' C2' C1' 104.5(14) . . ?
C2' C3' C4' 104.5(14) . . ?
C2' C3' H3'1 110.9 . . ?
C4' C3' H3'1 110.8 . . ?
C2' C3' H3'2 110.8 . . ?
C4' C3' H3'2 110.9 . . ?
H3'1 C3' H3'2 108.9 . . ?
C3' C4' C7' 104.8(14) . . ?
C3' C4' C5' 105.5(18) . . ?
C7' C4' C5' 99.3(14) . . ?
C3' C4' H4' 115.2 . . ?
C7' C4' H4' 115.2 . . ?
C5' C4' H4' 115.2 . . ?
C6' C5' C4' 103.8(14) . . ?
C6' C5' H5'1 111.0 . . ?
C4' C5' H5'1 111.0 . . ?
C6' C5' H5'2 111.0 . . ?
C4' C5' H5'2 111.0 . . ?
H5'1 C5' H5'2 109.0 . . ?
C5' C6' C1' 100.4(13) . . ?
C5' C6' H6'1 111.7 . . ?
C1' C6' H6'1 111.7 . . ?
C5' C6' H6'2 111.7 . . ?
C1' C6' H6'2 111.7 . . ?
H6'1 C6' H6'2 109.5 . . ?
C9' C7' C1' 112.5(14) . . ?
C9' C7' C4' 119.6(15) . . ?
C1' C7' C4' 95.0(11) . . ?
C9' C7' C8' 104.0(13) . . ?
C1' C7' C8' 115.5(13) . . ?
C4' C7' C8' 110.9(14) . . ?
C7' C8' H8'1 109.5 . . ?
C7' C8' H8'2 109.5 . . ?
H8'1 C8' H8'2 109.5 . . ?
C7' C8' H8'3 109.5 . . ?
H8'1 C8' H8'3 109.5 . . ?
H8'2 C8' H8'3 109.5 . . ?
C7' C9' H9'1 109.5 . . ?
C7' C9' H9'2 109.5 . . ?
H9'1 C9' H9'2 109.5 . . ?
C7' C9' H9'3 109.5 . . ?
H9'1 C9' H9'3 109.5 . . ?
H9'2 C9' H9'3 109.5 . . ?
Cl3X C1X Cl1X 146(3) . . ?
Cl2X C1X Cl1X 117.9(16) . . ?
Cl3Y C1Y Cl2Y 116.4(10) . . ?
Cl1Y C1Y Cl2Y 107.9(10) . . ?
Cl3Y C1Y Cl4Y 107.6(11) . . ?
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 S2B 2.4080(19) 1_565 ?
Ag1 S1A 2.415(2) . ?
Ag1 O2C 2.558(5) . ?
Ag2 O3F 2.414(18) 1_655 ?
Ag2 S1B 2.420(2) . ?
Ag2 S2A 2.430(2) . ?
Ag3 O3F 2.18(2) 1_655 ?
Ag3 O4E 2.334(6) . ?
Ag3 O3D 2.403(5) . ?
Ag3 S1B 2.563(2) . ?
Ag4 O4F 2.291(17) . ?
Ag4 O2' 2.369(11) . ?
Ag4 O2D 2.389(5) 1_455 ?
Ag4 O4C 2.469(6) . ?
Ag4 S1A 2.652(2) . ?
S1A C7A 1.706(7) . ?
S2A C14A 1.676(7) . ?
N1A C14A 1.334(9) . ?
N1A C1A 1.454(9) . ?
N1A C15A 1.467(9) . ?
N2A C7A 1.312(9) . ?
N2A C8A 1.462(8) . ?
N2A C16A 1.486(9) . ?
C1A C2A 1.386(9) . ?
C1A C6A 1.395(10) . ?
C2A C3A 1.392(10) . ?
C2A C7A 1.485(10) . ?
C3A C4A 1.380(11) . ?
C3A H3AA 0.9300 . ?
C4A C5A 1.404(11) . ?
C4A H4AB 0.9300 . ?
C5A C6A 1.358(10) . ?
C5A H5AA 0.9300 . ?
C6A H6AA 0.9300 . ?
C8A C13A 1.365(9) . ?
C8A C9A 1.402(9) . ?
C9A C10A 1.384(10) . ?
C9A C14A 1.488(9) . ?
C10A C11A 1.408(10) . ?
C10A H10G 0.9300 . ?
C11A C12A 1.379(10) . ?
C11A H11A 0.9300 . ?
C12A C13A 1.388(10) . ?
C12A H12A 0.9300 . ?
C13A H13A 0.9300 . ?
C15A H15A 0.9600 . ?
C15A H15B 0.9600 . ?
C15A H15C 0.9600 . ?
C16A H16A 0.9600 . ?
C16A H16B 0.9600 . ?
C16A H16C 0.9600 . ?
S1B C7B 1.700(8) . ?
S2B C14B 1.681(6) . ?
S2B Ag1 2.4080(19) 1_545 ?
N1B C14B 1.318(8) . ?
N1B C1B 1.435(8) . ?
N1B C15B 1.481(9) . ?
N2B C7B 1.323(9) . ?
N2B C8B 1.444(9) . ?
N2B C16B 1.484(8) . ?
C1B C6B 1.373(9) . ?
C1B C2B 1.429(9) . ?
C2B C3B 1.389(10) . ?
C2B C7B 1.471(9) . ?
C3B C4B 1.373(11) . ?
C3B H3BA 0.9300 . ?
C4B C5B 1.393(13) . ?
C4B H4BA 0.9300 . ?
C5B C6B 1.374(12) . ?
C5B H5BA 0.9300 . ?
C6B H6BA 0.9300 . ?
C8B C13B 1.378(9) . ?
C8B C9B 1.384(9) . ?
C9B C10B 1.408(10) . ?
C9B C14B 1.486(9) . ?
C10B C11B 1.377(11) . ?
C10B H10H 0.9300 . ?
C11B C12B 1.377(11) . ?
C11B H11B 0.9300 . ?
C12B C13B 1.382(11) . ?
C12B H12B 0.9300 . ?
C13B H13B 0.9300 . ?
C15B H15D 0.9600 . ?
C15B H15E 0.9600 . ?
C15B H15F 0.9600 . ?
C16B H16D 0.9600 . ?
C16B H16E 0.9600 . ?
C16B H16F 0.9600 . ?
S1C O2C 1.449(5) . ?
S1C O3C 1.455(6) . ?
S1C O4C 1.467(7) . ?
S1C C10C 1.769(7) . ?
O1C C2C 1.218(10) . ?
C1C C10C 1.518(11) . ?
C1C C6C 1.539(11) . ?
C1C C2C 1.543(10) . ?
C1C C7C 1.567(11) . ?
C2C C3C 1.504(13) . ?
C3C C4C 1.512(14) . ?
C3C H3CA 0.9700 . ?
C3C H3CB 0.9700 . ?
C4C C5C 1.489(16) . ?
C4C C7C 1.568(14) . ?
C4C H4CA 0.9800 . ?
C5C C6C 1.556(13) . ?
C5C H5CA 0.9700 . ?
C5C H5CB 0.9700 . ?
C6C H6CA 0.9700 . ?
C6C H6CB 0.9700 . ?
C7C C9C 1.504(15) . ?
C7C C8C 1.545(13) . ?
C8C H8CA 0.9600 . ?
C8C H8CB 0.9600 . ?
C8C H8CC 0.9600 . ?
C9C H9CA 0.9600 . ?
C9C H9CB 0.9600 . ?
C9C H9CC 0.9600 . ?
C10C H10B 0.9700 . ?
C10C H10C 0.9700 . ?
S1D O4D 1.458(5) . ?
S1D O3D 1.461(5) . ?
S1D O2D 1.467(5) . ?
S1D C10D 1.807(7) . ?
O1D C2D 1.204(9) . ?
O2D Ag4 2.389(5) 1_655 ?
C1D C2D 1.514(10) . ?
C1D C10D 1.542(9) . ?
C1D C6D 1.555(11) . ?
C1D C7D 1.563(10) . ?
C2D C3D 1.533(10) . ?
C3D C4D 1.515(12) . ?
C3D H3DC 0.9700 . ?
C3D H3DD 0.9700 . ?
C4D C5D 1.509(13) . ?
C4D C7D 1.563(11) . ?
C4D H4DA 0.9800 . ?
C5D C6D 1.522(11) . ?
C5D H5DA 0.9700 . ?
C5D H5DB 0.9700 . ?
C6D H6DA 0.9700 . ?
C6D H6DB 0.9700 . ?
C7D C8D 1.531(11) . ?
C7D C9D 1.555(13) . ?
C8D H8DA 0.9600 . ?
C8D H8DB 0.9600 . ?
C8D H8DC 0.9600 . ?
C9D H9DA 0.9600 . ?
C9D H9DB 0.9600 . ?
C9D H9DC 0.9600 . ?
C10D H10A 0.9700 . ?
C10D H10D 0.9700 . ?
S1E O3E 1.443(5) . ?
S1E O2E 1.451(6) . ?
S1E O4E 1.480(6) . ?
S1E C10E 1.790(7) . ?
O1E C2E 1.232(10) . ?
C1E C10E 1.517(10) . ?
C1E C2E 1.522(10) . ?
C1E C7E 1.541(9) . ?
C1E C6E 1.578(9) . ?
C2E C3E 1.487(13) . ?
C3E C4E 1.515(12) . ?
C3E H3EA 0.9700 . ?
C3E H3EB 0.9700 . ?
C4E C5E 1.514(11) . ?
C4E C7E 1.535(11) . ?
C4E H4EA 0.9800 . ?
C5E C6E 1.545(11) . ?
C5E H5EA 0.9700 . ?
C5E H5EB 0.9700 . ?
C6E H6EA 0.9700 . ?
C6E H6EB 0.9700 . ?
C7E C9E 1.525(10) . ?
C7E C8E 1.570(10) . ?
C8E H8EA 0.9600 . ?
C8E H8EB 0.9600 . ?
C8E H8EC 0.9600 . ?
C9E H9EA 0.9600 . ?
C9E H9EB 0.9600 . ?
C9E H9EC 0.9600 . ?
C10E H10E 0.9700 . ?
C10E H10F 0.9700 . ?
S1F O2F 1.408(13) . ?
S1F O4F 1.417(16) . ?
S1F O3F 1.510(19) . ?
S1F C10F 1.69(2) . ?
O3F Ag3 2.18(2) 1_455 ?
O3F Ag2 2.414(18) 1_455 ?
O1F C2F 1.221(19) . ?
C1F C7F 1.515(16) . ?
C1F C2F 1.544(18) . ?
C1F C10F 1.552(16) . ?
C1F C6F 1.579(17) . ?
C2F C3F 1.48(2) . ?
C3F C4F 1.490(19) . ?
C3F H3F1 0.9700 . ?
C3F H3F2 0.9700 . ?
C4F C5F 1.518(18) . ?
C4F C7F 1.534(18) . ?
C4F H4F 0.9800 . ?
C5F C6F 1.515(19) . ?
C5F H5F1 0.9700 . ?
C5F H5F2 0.9700 . ?
C6F H6F1 0.9700 . ?
C6F H6F2 0.9700 . ?
C7F C9F 1.511(18) . ?
C7F C8F 1.603(18) . ?
C8F H8F1 0.9600 . ?
C8F H8F2 0.9600 . ?
C8F H8F3 0.9600 . ?
C9F H9F1 0.9600 . ?
C9F H9F2 0.9600 . ?
C9F H9F3 0.9600 . ?
C10F H10I 0.9700 . ?
C10F H10J 0.9700 . ?
O1' C2' 1.208(19) . ?
C1' C7' 1.501(16) . ?
C1' C2' 1.522(18) . ?
C1' C10' 1.534(15) . ?
C1' C6' 1.603(17) . ?
C2' C3' 1.47(2) . ?
C3' C4' 1.477(18) . ?
C3' H3'1 0.9700 . ?
C3' H3'2 0.9700 . ?
C4' C7' 1.516(18) . ?
C4' C5' 1.543(19) . ?
C4' H4' 0.9800 . ?
C5' C6' 1.53(2) . ?
C5' H5'1 0.9700 . ?
C5' H5'2 0.9700 . ?
C6' H6'1 0.9700 . ?
C6' H6'2 0.9700 . ?
C7' C9' 1.491(17) . ?
C7' C8' 1.619(17) . ?
C8' H8'1 0.9600 . ?
C8' H8'2 0.9600 . ?
C8' H8'3 0.9600 . ?
C9' H9'1 0.9600 . ?
C9' H9'2 0.9600 . ?
C9' H9'3 0.9600 . ?
C1X Cl3X 1.35(4) . ?
C1X Cl2X 1.66(2) . ?
C1X Cl1X 1.67(2) . ?
C1Y Cl3Y 1.447(18) . ?
C1Y Cl1Y 1.743(16) . ?
C1Y Cl2Y 1.831(15) . ?
C1Y Cl4Y 2.08(2) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
S2B Ag1 S1A C7A -78.0(4) 1_565 . . . ?
O2C Ag1 S1A C7A 64.0(3) . . . . ?
S2B Ag1 S1A Ag4 179.9(2) 1_565 . . . ?
O2C Ag1 S1A Ag4 -38.20(14) . . . . ?
O4F Ag4 S1A C7A 112.4(5) . . . . ?
O2' Ag4 S1A C7A 103.1(4) . . . . ?
O2D Ag4 S1A C7A 0.9(3) 1_455 . . . ?
O4C Ag4 S1A C7A -112.2(3) . . . . ?
O4F Ag4 S1A Ag1 -140.2(4) . . . . ?
O2' Ag4 S1A Ag1 -149.4(4) . . . . ?
O2D Ag4 S1A Ag1 108.31(13) 1_455 . . . ?
O4C Ag4 S1A Ag1 -4.75(16) . . . . ?
O3F Ag2 S2A C14A 163.0(6) 1_655 . . . ?
S1B Ag2 S2A C14A -65.6(4) . . . . ?
C14A N1A C1A C2A 75.1(9) . . . . ?
C15A N1A C1A C2A -108.7(8) . . . . ?
C14A N1A C1A C6A -107.9(8) . . . . ?
C15A N1A C1A C6A 68.3(9) . . . . ?
C6A C1A C2A C3A 2.4(10) . . . . ?
N1A C1A C2A C3A 179.3(6) . . . . ?
C6A C1A C2A C7A -178.4(6) . . . . ?
N1A C1A C2A C7A -1.6(9) . . . . ?
C1A C2A C3A C4A -0.2(11) . . . . ?
C7A C2A C3A C4A -179.4(7) . . . . ?
C2A C3A C4A C5A -1.9(13) . . . . ?
C3A C4A C5A C6A 1.8(13) . . . . ?
C4A C5A C6A C1A 0.3(12) . . . . ?
C2A C1A C6A C5A -2.4(11) . . . . ?
N1A C1A C6A C5A -179.3(7) . . . . ?
C8A N2A C7A C2A -2.7(9) . . . . ?
C16A N2A C7A C2A -179.8(6) . . . . ?
C8A N2A C7A S1A 176.0(5) . . . . ?
C16A N2A C7A S1A -1.1(9) . . . . ?
C1A C2A C7A N2A -69.2(9) . . . . ?
C3A C2A C7A N2A 109.9(8) . . . . ?
C1A C2A C7A S1A 112.0(6) . . . . ?
C3A C2A C7A S1A -68.8(8) . . . . ?
Ag1 S1A C7A N2A -157.8(5) . . . . ?
Ag4 S1A C7A N2A -68.1(6) . . . . ?
Ag1 S1A C7A C2A 20.8(6) . . . . ?
Ag4 S1A C7A C2A 110.6(5) . . . . ?
C7A N2A C8A C13A -109.8(8) . . . . ?
C16A N2A C8A C13A 67.6(8) . . . . ?
C7A N2A C8A C9A 73.5(8) . . . . ?
C16A N2A C8A C9A -109.1(7) . . . . ?
C13A C8A C9A C10A 0.7(10) . . . . ?
N2A C8A C9A C10A 177.3(6) . . . . ?
C13A C8A C9A C14A -176.5(6) . . . . ?
N2A C8A C9A C14A 0.1(9) . . . . ?
C8A C9A C10A C11A 0.9(10) . . . . ?
C14A C9A C10A C11A 178.2(6) . . . . ?
C9A C10A C11A C12A -2.3(11) . . . . ?
C10A C11A C12A C13A 2.1(11) . . . . ?
C9A C8A C13A C12A -0.9(10) . . . . ?
N2A C8A C13A C12A -177.5(6) . . . . ?
C11A C12A C13A C8A -0.5(11) . . . . ?
C1A N1A C14A C9A -3.5(10) . . . . ?
C15A N1A C14A C9A -179.3(7) . . . . ?
C1A N1A C14A S2A 178.4(5) . . . . ?
C15A N1A C14A S2A 2.6(11) . . . . ?
C10A C9A C14A N1A 114.5(8) . . . . ?
C8A C9A C14A N1A -68.4(9) . . . . ?
C10A C9A C14A S2A -67.4(9) . . . . ?
C8A C9A C14A S2A 109.7(7) . . . . ?
Ag2 S2A C14A N1A -168.7(6) . . . . ?
Ag2 S2A C14A C9A 13.3(7) . . . . ?
O3F Ag2 S1B C7B 87.8(5) 1_655 . . . ?
S2A Ag2 S1B C7B -46.9(4) . . . . ?
O3F Ag2 S1B Ag3 -23.9(5) 1_655 . . . ?
S2A Ag2 S1B Ag3 -158.6(3) . . . . ?
O3F Ag3 S1B C7B -81.9(6) 1_655 . . . ?
O4E Ag3 S1B C7B 37.3(3) . . . . ?
O3D Ag3 S1B C7B 177.7(3) . . . . ?
O3F Ag3 S1B Ag2 26.5(5) 1_655 . . . ?
O4E Ag3 S1B Ag2 145.74(19) . . . . ?
O3D Ag3 S1B Ag2 -73.88(13) . . . . ?
C14B N1B C1B C6B -114.0(7) . . . . ?
C15B N1B C1B C6B 64.5(8) . . . . ?
C14B N1B C1B C2B 68.5(9) . . . . ?
C15B N1B C1B C2B -113.0(7) . . . . ?
C6B C1B C2B C3B 0.5(9) . . . . ?
N1B C1B C2B C3B 177.9(6) . . . . ?
C6B C1B C2B C7B -175.9(6) . . . . ?
N1B C1B C2B C7B 1.6(9) . . . . ?
C1B C2B C3B C4B 0.1(10) . . . . ?
C7B C2B C3B C4B 176.4(7) . . . . ?
C2B C3B C4B C5B -0.9(12) . . . . ?
C3B C4B C5B C6B 1.1(12) . . . . ?
C2B C1B C6B C5B -0.3(10) . . . . ?
N1B C1B C6B C5B -177.7(6) . . . . ?
C4B C5B C6B C1B -0.5(11) . . . . ?
C8B N2B C7B C2B -1.5(9) . . . . ?
C16B N2B C7B C2B 178.7(6) . . . . ?
C8B N2B C7B S1B 176.8(5) . . . . ?
C16B N2B C7B S1B -3.0(9) . . . . ?
C3B C2B C7B N2B 112.8(7) . . . . ?
C1B C2B C7B N2B -71.0(8) . . . . ?
C3B C2B C7B S1B -65.5(8) . . . . ?
C1B C2B C7B S1B 110.6(6) . . . . ?
Ag2 S1B C7B N2B -167.4(5) . . . . ?
Ag3 S1B C7B N2B -72.7(6) . . . . ?
Ag2 S1B C7B C2B 10.9(6) . . . . ?
Ag3 S1B C7B C2B 105.5(5) . . . . ?
C7B N2B C8B C13B -108.9(7) . . . . ?
C16B N2B C8B C13B 71.0(8) . . . . ?
C7B N2B C8B C9B 71.2(8) . . . . ?
C16B N2B C8B C9B -109.0(7) . . . . ?
C13B C8B C9B C10B 3.6(10) . . . . ?
N2B C8B C9B C10B -176.5(6) . . . . ?
C13B C8B C9B C14B -177.7(6) . . . . ?
N2B C8B C9B C14B 2.2(9) . . . . ?
C8B C9B C10B C11B -3.2(10) . . . . ?
C14B C9B C10B C11B 178.1(6) . . . . ?
C9B C10B C11B C12B 1.3(11) . . . . ?
C10B C11B C12B C13B 0.6(12) . . . . ?
C9B C8B C13B C12B -1.8(10) . . . . ?
N2B C8B C13B C12B 178.3(6) . . . . ?
C11B C12B C13B C8B -0.3(11) . . . . ?
C1B N1B C14B C9B 1.6(9) . . . . ?
C15B N1B C14B C9B -176.8(7) . . . . ?
C1B N1B C14B S2B -177.0(5) . . . . ?
C15B N1B C14B S2B 4.6(10) . . . . ?
C8B C9B C14B N1B -74.2(8) . . . . ?
C10B C9B C14B N1B 104.4(8) . . . . ?
C8B C9B C14B S2B 104.5(7) . . . . ?
C10B C9B C14B S2B -76.8(8) . . . . ?
Ag1 S2B C14B N1B -177.2(5) 1_545 . . . ?
Ag1 S2B C14B C9B 4.2(6) 1_545 . . . ?
O3C S1C O2C Ag1 73.5(5) . . . . ?
O4C S1C O2C Ag1 -54.5(5) . . . . ?
C10C S1C O2C Ag1 -167.7(4) . . . . ?
S2B Ag1 O2C S1C -78.0(4) 1_565 . . . ?
S1A Ag1 O2C S1C 111.7(4) . . . . ?
O2C S1C O4C Ag4 -22.8(4) . . . . ?
O3C S1C O4C Ag4 -150.9(3) . . . . ?
C10C S1C O4C Ag4 91.4(3) . . . . ?
O4F Ag4 O4C S1C 179.5(7) . . . . ?
O2' Ag4 O4C S1C -160.2(5) . . . . ?
O2D Ag4 O4C S1C -49.0(3) 1_455 . . . ?
S1A Ag4 O4C S1C 62.5(3) . . . . ?
C10C C1C C2C O1C 15.3(11) . . . . ?
C6C C1C C2C O1C -109.0(9) . . . . ?
C7C C1C C2C O1C 145.7(8) . . . . ?
C10C C1C C2C C3C -165.3(7) . . . . ?
C6C C1C C2C C3C 70.4(8) . . . . ?
C7C C1C C2C C3C -34.9(9) . . . . ?
O1C C2C C3C C4C 178.0(9) . . . . ?
C1C C2C C3C C4C -1.4(10) . . . . ?
C2C C3C C4C C5C -72.9(10) . . . . ?
C2C C3C C4C C7C 37.9(10) . . . . ?
C3C C4C C5C C6C 71.1(9) . . . . ?
C7C C4C C5C C6C -38.9(9) . . . . ?
C10C C1C C6C C5C 169.9(6) . . . . ?
C2C C1C C6C C5C -70.8(7) . . . . ?
C7C C1C C6C C5C 31.7(7) . . . . ?
C4C C5C C6C C1C 4.1(8) . . . . ?
C10C C1C C7C C9C 55.8(10) . . . . ?
C6C C1C C7C C9C -169.7(7) . . . . ?
C2C C1C C7C C9C -64.7(8) . . . . ?
C10C C1C C7C C8C -72.6(11) . . . . ?
C6C C1C C7C C8C 62.0(10) . . . . ?
C2C C1C C7C C8C 167.0(8) . . . . ?
C10C C1C C7C C4C 173.9(8) . . . . ?
C6C C1C C7C C4C -51.5(7) . . . . ?
C2C C1C C7C C4C 53.5(8) . . . . ?
C5C C4C C7C C9C 171.4(8) . . . . ?
C3C C4C C7C C9C 57.2(10) . . . . ?
C5C C4C C7C C8C -61.0(9) . . . . ?
C3C C4C C7C C8C -175.1(8) . . . . ?
C5C C4C C7C C1C 56.2(8) . . . . ?
C3C C4C C7C C1C -57.9(9) . . . . ?
C6C C1C C10C S1C -75.1(8) . . . . ?
C2C C1C C10C S1C 169.4(5) . . . . ?
C7C C1C C10C S1C 53.8(10) . . . . ?
O2C S1C C10C C1C -73.4(7) . . . . ?
O3C S1C C10C C1C 48.4(7) . . . . ?
O4C S1C C10C C1C 169.1(6) . . . . ?
O4D S1D O2D Ag4 40.3(4) . . . 1_655 ?
O3D S1D O2D Ag4 -88.6(3) . . . 1_655 ?
C10D S1D O2D Ag4 155.5(3) . . . 1_655 ?
O4D S1D O3D Ag3 -4.3(4) . . . . ?
O2D S1D O3D Ag3 124.8(3) . . . . ?
C10D S1D O3D Ag3 -122.0(3) . . . . ?
O3F Ag3 O3D S1D -63.9(6) 1_655 . . . ?
O4E Ag3 O3D S1D 172.7(3) . . . . ?
S1B Ag3 O3D S1D 21.2(3) . . . . ?
C10D C1D C2D O1D 13.4(11) . . . . ?
C6D C1D C2D O1D -118.5(8) . . . . ?
C7D C1D C2D O1D 136.6(8) . . . . ?
C10D C1D C2D C3D -162.5(6) . . . . ?
C6D C1D C2D C3D 65.7(7) . . . . ?
C7D C1D C2D C3D -39.2(7) . . . . ?
O1D C2D C3D C4D -171.6(8) . . . . ?
C1D C2D C3D C4D 4.2(8) . . . . ?
C2D C3D C4D C5D -75.5(8) . . . . ?
C2D C3D C4D C7D 32.7(8) . . . . ?
C3D C4D C5D C6D 69.4(9) . . . . ?
C7D C4D C5D C6D -38.1(9) . . . . ?
C4D C5D C6D C1D 3.9(9) . . . . ?
C2D C1D C6D C5D -71.9(8) . . . . ?
C10D C1D C6D C5D 160.2(7) . . . . ?
C7D C1D C6D C5D 31.3(8) . . . . ?
C2D C1D C7D C8D 173.0(7) . . . . ?
C10D C1D C7D C8D -65.8(9) . . . . ?
C6D C1D C7D C8D 65.4(9) . . . . ?
C2D C1D C7D C9D -62.0(8) . . . . ?
C10D C1D C7D C9D 59.1(9) . . . . ?
C6D C1D C7D C9D -169.7(7) . . . . ?
C2D C1D C7D C4D 56.4(7) . . . . ?
C10D C1D C7D C4D 177.6(7) . . . . ?
C6D C1D C7D C4D -51.2(7) . . . . ?
C5D C4D C7D C8D -61.3(8) . . . . ?
C3D C4D C7D C8D -172.0(7) . . . . ?
C5D C4D C7D C9D 171.1(7) . . . . ?
C3D C4D C7D C9D 60.4(8) . . . . ?
C5D C4D C7D C1D 55.5(7) . . . . ?
C3D C4D C7D C1D -55.2(7) . . . . ?
C2D C1D C10D S1D -90.1(7) . . . . ?
C6D C1D C10D S1D 34.1(8) . . . . ?
C7D C1D C10D S1D 156.3(5) . . . . ?
O4D S1D C10D C1D -80.7(5) . . . . ?
O3D S1D C10D C1D 40.7(6) . . . . ?
O2D S1D C10D C1D 159.6(5) . . . . ?
O3E S1E O4E Ag3 23.8(4) . . . . ?
O2E S1E O4E Ag3 153.1(3) . . . . ?
C10E S1E O4E Ag3 -91.1(3) . . . . ?
O3F Ag3 O4E S1E 59.4(7) 1_655 . . . ?
O3D Ag3 O4E S1E 173.9(3) . . . . ?
S1B Ag3 O4E S1E -46.3(4) . . . . ?
C10E C1E C2E O1E 16.0(12) . . . . ?
C7E C1E C2E O1E 147.7(10) . . . . ?
C6E C1E C2E O1E -107.1(10) . . . . ?
C10E C1E C2E C3E -164.7(7) . . . . ?
C7E C1E C2E C3E -33.0(9) . . . . ?
C6E C1E C2E C3E 72.2(8) . . . . ?
O1E C2E C3E C4E 177.8(9) . . . . ?
C1E C2E C3E C4E -1.6(10) . . . . ?
C2E C3E C4E C5E -71.8(9) . . . . ?
C2E C3E C4E C7E 36.3(9) . . . . ?
C3E C4E C5E C6E 70.7(8) . . . . ?
C7E C4E C5E C6E -37.4(8) . . . . ?
C4E C5E C6E C1E 3.5(8) . . . . ?
C10E C1E C6E C5E 170.8(6) . . . . ?
C2E C1E C6E C5E -71.1(7) . . . . ?
C7E C1E C6E C5E 31.2(7) . . . . ?
C5E C4E C7E C9E 173.3(7) . . . . ?
C3E C4E C7E C9E 62.3(9) . . . . ?
C5E C4E C7E C1E 55.1(7) . . . . ?
C3E C4E C7E C1E -55.9(7) . . . . ?
C5E C4E C7E C8E -64.8(8) . . . . ?
C3E C4E C7E C8E -175.7(7) . . . . ?
C10E C1E C7E C9E 51.7(9) . . . . ?
C2E C1E C7E C9E -69.1(7) . . . . ?
C6E C1E C7E C9E -173.3(6) . . . . ?
C10E C1E C7E C4E 172.9(6) . . . . ?
C2E C1E C7E C4E 52.1(6) . . . . ?
C6E C1E C7E C4E -52.1(6) . . . . ?
C10E C1E C7E C8E -71.0(9) . . . . ?
C2E C1E C7E C8E 168.2(7) . . . . ?
C6E C1E C7E C8E 64.0(8) . . . . ?
C2E C1E C10E S1E 179.6(5) . . . . ?
C7E C1E C10E S1E 63.3(8) . . . . ?
C6E C1E C10E S1E -66.5(8) . . . . ?
O3E S1E C10E C1E 48.1(6) . . . . ?
O2E S1E C10E C1E -75.7(6) . . . . ?
O4E S1E C10E C1E 166.1(5) . . . . ?
O2F S1F O3F Ag3 -24.2(18) . . . 1_455 ?
O4F S1F O3F Ag3 101.4(14) . . . 1_455 ?
C10F S1F O3F Ag3 -158.1(15) . . . 1_455 ?
O2F S1F O3F Ag2 -153.2(10) . . . 1_455 ?
O4F S1F O3F Ag2 -27.6(13) . . . 1_455 ?
C10F S1F O3F Ag2 72.9(15) . . . 1_455 ?
O2F S1F O4F Ag4 68(4) . . . . ?
O3F S1F O4F Ag4 -64(3) . . . . ?
C10F S1F O4F Ag4 -170(3) . . . . ?
O2' Ag4 O4F S1F 49(3) . . . . ?
O2D Ag4 O4F S1F 5(3) 1_455 . . . ?
O4C Ag4 O4F S1F 134(3) . . . . ?
S1A Ag4 O4F S1F -98(3) . . . . ?
C7F C1F C2F O1F 138(5) . . . . ?
C10F C1F C2F O1F -11(5) . . . . ?
C6F C1F C2F O1F -115(5) . . . . ?
C7F C1F C2F C3F -39(2) . . . . ?
C10F C1F C2F C3F 171(2) . . . . ?
C6F C1F C2F C3F 68(2) . . . . ?
O1F C2F C3F C4F -174(3) . . . . ?
C1F C2F C3F C4F 4(3) . . . . ?
C2F C3F C4F C5F -75(2) . . . . ?
C2F C3F C4F C7F 32(2) . . . . ?
C3F C4F C5F C6F 71(2) . . . . ?
C7F C4F C5F C6F -35(2) . . . . ?
C4F C5F C6F C1F 4(2) . . . . ?
C7F C1F C6F C5F 29(2) . . . . ?
C2F C1F C6F C5F -71(2) . . . . ?
C10F C1F C6F C5F -174.4(19) . . . . ?
C2F C1F C7F C9F -64(2) . . . . ?
C10F C1F C7F C9F 56(3) . . . . ?
C6F C1F C7F C9F -168.4(19) . . . . ?
C2F C1F C7F C4F 55.8(14) . . . . ?
C10F C1F C7F C4F 175(2) . . . . ?
C6F C1F C7F C4F -48.9(16) . . . . ?
C2F C1F C7F C8F 172.9(17) . . . . ?
C10F C1F C7F C8F -68(3) . . . . ?
C6F C1F C7F C8F 68(2) . . . . ?
C3F C4F C7F C9F 71(2) . . . . ?
C5F C4F C7F C9F 179.3(17) . . . . ?
C3F C4F C7F C1F -56.8(16) . . . . ?
C5F C4F C7F C1F 51.3(15) . . . . ?
C3F C4F C7F C8F -177.9(17) . . . . ?
C5F C4F C7F C8F -69.8(19) . . . . ?
C7F C1F C10F S1F 63(4) . . . . ?
C2F C1F C10F S1F -179(2) . . . . ?
C6F C1F C10F S1F -74(3) . . . . ?
O2F S1F C10F C1F 39(3) . . . . ?
O4F S1F C10F C1F -83(3) . . . . ?
O3F S1F C10F C1F 177(2) . . . . ?
C7' C1' C2' O1' 139(4) . . . . ?
C10' C1' C2' O1' 3(5) . . . . ?
C6' C1' C2' O1' -115(4) . . . . ?
C7' C1' C2' C3' -35(2) . . . . ?
C10' C1' C2' C3' -171.0(18) . . . . ?
C6' C1' C2' C3' 72(2) . . . . ?
O1' C2' C3' C4' -171(4) . . . . ?
C1' C2' C3' C4' 3(3) . . . . ?
C2' C3' C4' C7' 30(2) . . . . ?
C2' C3' C4' C5' -74(2) . . . . ?
C3' C4' C5' C6' 62(2) . . . . ?
C7' C4' C5' C6' -46(2) . . . . ?
C4' C5' C6' C1' 14(3) . . . . ?
C7' C1' C6' C5' 23(2) . . . . ?
C2' C1' C6' C5' -81(2) . . . . ?
C10' C1' C6' C5' 165.4(18) . . . . ?
C2' C1' C7' C9' -74.8(18) . . . . ?
C10' C1' C7' C9' 49.6(19) . . . . ?
C6' C1' C7' C9' -175.9(16) . . . . ?
C2' C1' C7' C4' 50.1(15) . . . . ?
C10' C1' C7' C4' 174.5(13) . . . . ?
C6' C1' C7' C4' -51.0(15) . . . . ?
C2' C1' C7' C8' 166.0(16) . . . . ?
C10' C1' C7' C8' -69.6(19) . . . . ?
C6' C1' C7' C8' 64.9(17) . . . . ?
C3' C4' C7' C9' 70(2) . . . . ?
C5' C4' C7' C9' 178.5(18) . . . . ?
C3' C4' C7' C1' -49.7(16) . . . . ?
C5' C4' C7' C1' 59.1(16) . . . . ?
C3' C4' C7' C8' -169.4(16) . . . . ?
C5' C4' C7' C8' -60.6(19) . . . . ?
