#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:50:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178703 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/14/4081427.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_4081427
loop_
_publ_author_name
'Wen, Li-Li'
'Wang, Han'
'Wan, Chong-Qing'
'Mak, Thomas C. W.'
_publ_section_title
;
 Silver--Organic Frameworks Containing Ethynediide or Ethynide with
 Ancillary Oligo-α-sulfanylpyrazinyl and Dimethylsulfoxide Ligands
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              5144
_journal_paper_doi               10.1021/om400706d
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C212 H172 Ag24 F24 N24 O28 S18'
_chemical_formula_weight         7125.70
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.520(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   12.7457(12)
_cell_length_b                   16.6712(17)
_cell_length_c                   27.970(3)
_cell_measurement_temperature    296(2)
_cell_volume                     5915.7(10)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0803
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            60543
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    2.180
_exptl_absorpt_correction_T_max  0.543
_exptl_absorpt_correction_T_min  0.456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    2.000
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3468
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.408
_refine_diff_density_min         -1.089
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     771
_refine_ls_number_reflns         10396
_refine_ls_number_restraints     662
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0560
_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)+(0.0912P)²+43.4976P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1484
_refine_ls_wR_factor_ref         0.1555
_reflns_number_gt                9073
_reflns_number_total             10396
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400706d_si_002.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5915.6(10)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4081427
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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 0.00400(4) 0.99948(3) 0.146822(18) 0.02557(15) Uani 1 1 d . . .
Ag2 Ag -0.02296(4) 0.79797(3) 0.08149(2) 0.03025(16) Uani 1 1 d . . .
Ag3 Ag 0.16076(4) 0.89840(3) 0.108429(17) 0.02135(14) Uani 1 1 d . . .
Ag4 Ag 0.11445(4) 1.04318(3) 0.056670(17) 0.02317(15) Uani 1 1 d . . .
Ag5 Ag 0.09747(4) 1.03987(3) -0.049953(17) 0.02020(14) Uani 1 1 d . . .
Ag6 Ag 0.08239(4) 0.88665(3) 0.004605(18) 0.02482(15) Uani 1 1 d . . .
C1 C 0.0388(5) 0.8647(4) 0.1523(2) 0.0249(15) Uani 1 1 d U . .
C2 C -0.0119(5) 0.8339(4) 0.1812(3) 0.0261(15) Uani 1 1 d U . .
C3 C -0.0734(6) 0.7978(4) 0.2163(3) 0.0268(15) Uani 1 1 d U . .
C4 C -0.1782(7) 0.7831(6) 0.2057(3) 0.049(2) Uani 1 1 d U . .
H4 H -0.2105 0.7971 0.1756 0.058 Uiso 1 1 calc R . .
C5 C -0.2373(8) 0.7476(7) 0.2390(4) 0.061(3) Uani 1 1 d U . .
H5 H -0.3087 0.7375 0.2313 0.074 Uiso 1 1 calc R . .
C6 C -0.1903(8) 0.7278(7) 0.2827(4) 0.062(3) Uani 1 1 d U . .
H6 H -0.2291 0.7032 0.3051 0.075 Uiso 1 1 calc R . .
C7 C -0.0858(9) 0.7440(8) 0.2941(4) 0.070(3) Uani 1 1 d U . .
H7 H -0.0548 0.7318 0.3247 0.084 Uiso 1 1 calc R . .
C8 C -0.0256(7) 0.7780(6) 0.2612(3) 0.048(2) Uani 1 1 d U . .
H8 H 0.0459 0.7875 0.2690 0.058 Uiso 1 1 calc R . .
C9 C -0.1710(11) 1.0289(10) 0.2944(5) 0.085(4) Uani 1 1 d U . .
H9A H -0.2342 1.0603 0.2893 0.127 Uiso 1 1 calc R . .
H9B H -0.1404 1.0357 0.3268 0.127 Uiso 1 1 calc R . .
H9C H -0.1876 0.9733 0.2887 0.127 Uiso 1 1 calc R . .
C10 C 0.0251(8) 1.0007(6) 0.2796(4) 0.051(2) Uani 1 1 d U . .
H10A H 0.0052 0.9451 0.2777 0.076 Uiso 1 1 calc R . .
H10B H 0.0427 1.0153 0.3126 0.076 Uiso 1 1 calc R . .
H10C H 0.0851 1.0092 0.2619 0.076 Uiso 1 1 calc R . .
C11 C 0.1959(6) 1.1162(5) 0.1647(3) 0.0333(18) Uani 1 1 d U . .
C12 C 0.2748(7) 1.1727(6) 0.1926(3) 0.046(2) Uani 1 1 d U . .
C13 C -0.1185(14) 0.5654(9) 0.0608(6) 0.099(5) Uani 1 1 d U . .
H13A H -0.1714 0.5756 0.0346 0.148 Uiso 1 1 calc R . .
H13B H -0.1145 0.5089 0.0670 0.148 Uiso 1 1 calc R . .
H13C H -0.0515 0.5843 0.0525 0.148 Uiso 1 1 calc R . .
C14 C -0.0331(11) 0.6027(8) 0.1495(5) 0.073(3) Uani 1 1 d U . .
H14A H 0.0236 0.6214 0.1321 0.110 Uiso 1 1 calc R . .
H14B H -0.0241 0.5465 0.1561 0.110 Uiso 1 1 calc R . .
H14C H -0.0328 0.6317 0.1792 0.110 Uiso 1 1 calc R . .
C15 C 0.1025(5) 1.1454(4) -0.0074(2) 0.0209(14) Uani 1 1 d U . .
C16 C 0.1266(6) 1.2068(5) 0.0140(3) 0.0315(17) Uani 1 1 d U A .
C17 C 0.1506(7) 1.2761(5) 0.0414(3) 0.044(2) Uani 1 1 d DU . .
C18 C 0.2547(10) 1.3046(11) 0.0491(7) 0.082(3) Uani 0.671(10) 1 d PDU A 1
H18 H 0.3093 1.2807 0.0345 0.098 Uiso 0.671(10) 1 calc PR A 1
C19 C 0.2727(14) 1.3709(10) 0.0799(7) 0.082(3) Uani 0.671(10) 1 d PDU A 1
H19 H 0.3414 1.3863 0.0902 0.098 Uiso 0.671(10) 1 calc PR A 1
C21 C 0.0861(13) 1.3847(10) 0.0918(7) 0.082(3) Uani 0.671(10) 1 d PDU A 1
H21 H 0.0314 1.4085 0.1065 0.098 Uiso 0.671(10) 1 calc PR A 1
C22 C 0.0746(13) 1.3158(10) 0.0641(7) 0.082(3) Uani 0.671(10) 1 d PDU A 1
H22 H 0.0073 1.2936 0.0604 0.098 Uiso 0.671(10) 1 calc PR A 1
C18' C 0.2108(16) 1.280(2) 0.0856(5) 0.082(3) Uani 0.329(10) 1 d PDU A 2
H18' H 0.2396 1.2313 0.0967 0.098 Uiso 0.329(10) 1 calc PR A 2
C19' C 0.234(2) 1.3455(13) 0.1157(10) 0.082(3) Uani 0.329(10) 1 d PDU A 2
H19' H 0.2755 1.3436 0.1450 0.098 Uiso 0.329(10) 1 calc PR A 2
C21' C 0.1245(18) 1.421(2) 0.0513(7) 0.082(3) Uani 0.329(10) 1 d PDU A 2
H21' H 0.0958 1.4695 0.0405 0.098 Uiso 0.329(10) 1 calc PR A 2
C22' C 0.1073(19) 1.3498(11) 0.0248(11) 0.082(3) Uani 0.329(10) 1 d PDU A 2
H22' H 0.0661 1.3514 -0.0045 0.098 Uiso 0.329(10) 1 calc PR A 2
C20 C 0.1875(11) 1.4141(10) 0.0953(5) 0.102(5) Uani 1 1 d DU . .
H20 H 0.2001 1.4648 0.1083 0.123 Uiso 1 1 calc R A 1
C23 C 0.2356(5) 0.9441(4) 0.0476(2) 0.0206(14) Uani 1 1 d U . .
C24 C 0.3057(6) 0.9267(4) 0.0236(2) 0.0260(15) Uani 1 1 d U . .
C25 C 0.3885(6) 0.9058(5) -0.0054(3) 0.0275(16) Uani 1 1 d U . .
C26 C 0.4935(6) 0.9095(5) 0.0115(3) 0.0337(17) Uani 1 1 d U . .
H26 H 0.5124 0.9243 0.0432 0.040 Uiso 1 1 calc R . .
C27 C 0.5706(7) 0.8917(5) -0.0177(3) 0.0373(19) Uani 1 1 d U . .
H27 H 0.6409 0.8924 -0.0051 0.045 Uiso 1 1 calc R . .
C28 C 0.5455(8) 0.8731(6) -0.0650(3) 0.050(2) Uani 1 1 d U . .
H28 H 0.5982 0.8639 -0.0851 0.059 Uiso 1 1 calc R . .
C29 C 0.4405(9) 0.8681(8) -0.0823(4) 0.069(3) Uani 1 1 d U . .
H29 H 0.4218 0.8539 -0.1142 0.082 Uiso 1 1 calc R . .
C30 C 0.3649(8) 0.8840(7) -0.0530(3) 0.052(2) Uani 1 1 d U . .
H30 H 0.2945 0.8802 -0.0652 0.062 Uiso 1 1 calc R . .
C31 C 0.0717(5) 0.9234(4) -0.0802(2) 0.0203(13) Uani 1 1 d U . .
C32 C 0.0838(6) 0.8625(4) -0.1023(3) 0.0268(15) Uani 1 1 d U . .
C33 C 0.0969(7) 0.7879(5) -0.1270(3) 0.0351(18) Uani 1 1 d U . .
C34 C 0.0425(7) 0.7738(5) -0.1720(3) 0.0369(18) Uani 1 1 d U . .
H34 H -0.0014 0.8128 -0.1868 0.044 Uiso 1 1 calc R . .
C35 C 0.0549(8) 0.7013(5) -0.1939(4) 0.048(2) Uani 1 1 d U . .
H35 H 0.0171 0.6908 -0.2233 0.058 Uiso 1 1 calc R . .
C36 C 0.1215(10) 0.6445(6) -0.1734(4) 0.062(3) Uani 1 1 d U . .
H36 H 0.1307 0.5966 -0.1895 0.075 Uiso 1 1 calc R . .
C37 C 0.1753(11) 0.6571(7) -0.1292(4) 0.072(3) Uani 1 1 d U . .
H37 H 0.2192 0.6174 -0.1151 0.086 Uiso 1 1 calc R . .
C38 C 0.1639(9) 0.7295(6) -0.1054(4) 0.058(3) Uani 1 1 d U . .
H38 H 0.2006 0.7387 -0.0755 0.069 Uiso 1 1 calc R . .
C39 C 0.3674(6) 1.0596(5) -0.1539(3) 0.0349(18) Uani 1 1 d U . .
C40 C 0.2861(6) 1.0350(5) -0.1282(3) 0.0370(18) Uani 1 1 d U . .
H40 H 0.2557 0.9849 -0.1343 0.044 Uiso 1 1 calc R . .
C41 C 0.2965(6) 1.1532(5) -0.0876(3) 0.0280(16) Uani 1 1 d U . .
H41 H 0.2741 1.1870 -0.0641 0.034 Uiso 1 1 calc R . .
C42 C 0.3759(6) 1.1779(5) -0.1139(3) 0.0301(16) Uani 1 1 d U . .
C43 C 0.5459(6) 1.2714(5) -0.1294(3) 0.0319(17) Uani 1 1 d U . .
C44 C 0.5584(6) 1.3200(5) -0.1649(3) 0.0342(18) Uani 1 1 d U . .
H44 H 0.5051 1.3546 -0.1770 0.041 Uiso 1 1 calc R . .
C45 C 0.7292(6) 1.2676(5) -0.1637(3) 0.0371(19) Uani 1 1 d U . .
H45 H 0.7937 1.2679 -0.1767 0.044 Uiso 1 1 calc R . .
C46 C 0.7168(5) 1.2188(4) -0.1272(2) 0.0184(13) Uani 1 1 d U . .
H46 H 0.7702 1.1848 -0.1145 0.022 Uiso 1 1 calc R . .
C47 C 0.6086(6) 1.0344(5) -0.1689(3) 0.0318(17) Uani 1 1 d U . .
H47 H 0.5923 1.0226 -0.1380 0.038 Uiso 1 1 calc R . .
C48 C 0.7251(6) 1.0704(5) -0.2209(3) 0.0348(17) Uani 1 1 d U . .
H48 H 0.7918 1.0874 -0.2273 0.042 Uiso 1 1 calc R . .
C49 C 0.6499(7) 1.0571(6) -0.2582(3) 0.043(2) Uani 1 1 d U . .
H49 H 0.6681 1.0637 -0.2893 0.052 Uiso 1 1 calc R . .
C50 C 0.5329(6) 1.0257(5) -0.2066(3) 0.0379(19) Uani 1 1 d U . .
C51 C 0.1528(7) 0.7016(5) 0.0352(3) 0.042(2) Uani 1 1 d U B .
F1 F 0.3508(6) 1.1969(6) 0.1681(3) 0.099(3) Uani 1 1 d U . .
F2 F 0.3203(5) 1.1368(4) 0.2328(2) 0.0728(18) Uani 1 1 d U . .
F3 F 0.2298(6) 1.2356(4) 0.2092(3) 0.080(2) Uani 1 1 d U . .
N1 N 0.2507(5) 1.0817(4) -0.0949(2) 0.0281(13) Uani 1 1 d U . .
N2 N 0.4130(5) 1.1305(4) -0.1477(2) 0.0295(14) Uani 1 1 d U . .
N3 N 0.6512(9) 1.3175(6) -0.1831(4) 0.075(3) Uani 1 1 d U . .
N4 N 0.6232(6) 1.2216(5) -0.1098(3) 0.0479(18) Uani 1 1 d U . .
N5 N 0.7050(5) 1.0595(4) -0.1757(2) 0.0286(13) Uani 1 1 d U . .
N6 N 0.5516(6) 1.0352(5) -0.2519(2) 0.0419(17) Uani 1 1 d U . .
O1 O 0.1635(5) 0.7577(4) 0.0079(2) 0.0447(15) Uani 1 1 d U . .
O2 O 0.0904(5) 0.6919(4) 0.0657(2) 0.0481(15) Uani 1 1 d U . .
O3 O -0.1186(5) 1.0260(4) 0.2063(2) 0.0437(14) Uani 1 1 d U . .
O4 O 0.2043(5) 1.1145(4) 0.1212(2) 0.0409(14) Uani 1 1 d U . .
O5 O 0.1335(4) 1.0833(3) 0.18938(19) 0.0350(12) Uani 1 1 d U . .
O6 O -0.1570(5) 0.7020(3) 0.0986(2) 0.0413(14) Uani 1 1 d U . .
S3 S -0.08123(19) 1.06037(15) 0.25474(8) 0.0445(5) Uani 1 1 d U . .
S4 S -0.1536(2) 0.61829(17) 0.11482(16) 0.0783(10) Uani 1 1 d U . .
S2 S 0.40329(18) 0.99402(18) -0.19884(9) 0.0567(7) Uani 1 1 d U . .
S1 S 0.42207(16) 1.27638(13) -0.10544(9) 0.0425(5) Uani 1 1 d U . .
F4 F 0.3258(11) 0.6622(8) 0.0136(5) 0.074(3) Uani 0.50 1 d PU B 1
F5 F 0.2587(17) 0.5975(15) 0.0729(8) 0.070(4) Uani 0.50 1 d PU B 1
F6 F 0.1948(14) 0.5776(10) 0.0017(7) 0.081(5) Uani 0.50 1 d PU B 1
F4' F 0.2257(13) 0.6041(10) -0.0134(6) 0.074(3) Uani 0.50 1 d PU B 2
F5' F 0.2840(17) 0.6082(15) 0.0639(9) 0.070(4) Uani 0.50 1 d PU B 2
F6' F 0.150(2) 0.5579(15) 0.0306(10) 0.138(8) Uani 0.50 1 d PU B 2
C52 C 0.2319(12) 0.6335(8) 0.0301(5) 0.076(3) Uani 1 1 d U . .
S5 S 0.4727(11) 0.4379(9) 0.0864(5) 0.157(5) Uani 0.50 1 d PDU C 1
O7 O 0.5744(17) 0.4833(15) 0.0851(11) 0.136(7) Uani 0.50 1 d PDU C 1
C53 C 0.421(3) 0.423(3) 0.0257(8) 0.165(13) Uani 0.50 1 d PDU C 1
H53A H 0.4016 0.4738 0.0113 0.248 Uiso 0.50 1 calc PR C 1
H53B H 0.3594 0.3893 0.0249 0.248 Uiso 0.50 1 calc PR C 1
H53C H 0.4729 0.3977 0.0083 0.248 Uiso 0.50 1 calc PR C 1
C54 C 0.498(3) 0.3340(11) 0.092(2) 0.193(15) Uani 0.50 1 d PDU C 1
H54A H 0.5061 0.3198 0.1256 0.290 Uiso 0.50 1 calc PR C 1
H54B H 0.5607 0.3210 0.0777 0.290 Uiso 0.50 1 calc PR C 1
H54C H 0.4393 0.3047 0.0764 0.290 Uiso 0.50 1 calc PR C 1
O1W O 0.573(3) 0.4522(19) 0.0655(11) 0.136(7) Uani 0.50 1 d PU D 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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C1 Ag1 O5 114.8(2) . .
C1 Ag1 C31 129.8(2) . 3_575
O5 Ag1 C31 106.3(2) . 3_575
C1 Ag1 O3 105.4(2) . .
O5 Ag1 O3 90.64(19) . .
C31 Ag1 O3 101.5(2) 3_575 .
C1 Ag1 Ag3 47.04(17) . .
O5 Ag1 Ag3 93.26(13) . .
C31 Ag1 Ag3 105.35(16) 3_575 .
O3 Ag1 Ag3 150.58(16) . .
C1 Ag1 Ag5 84.74(17) . 3_575
O5 Ag1 Ag5 143.60(14) . 3_575
C31 Ag1 Ag5 45.39(16) 3_575 3_575
O3 Ag1 Ag5 114.45(14) . 3_575
Ag3 Ag1 Ag5 77.769(19) . 3_575
C1 Ag1 Ag4 100.63(17) . .
O5 Ag1 Ag4 85.51(13) . .
C31 Ag1 Ag4 54.42(16) 3_575 .
O3 Ag1 Ag4 152.76(16) . .
Ag3 Ag1 Ag4 56.660(17) . .
Ag5 Ag1 Ag4 59.930(18) 3_575 .
C1 Ag2 O2 110.7(2) . .
C1 Ag2 C15 128.3(2) . 3_575
O2 Ag2 C15 110.4(2) . 3_575
C1 Ag2 O6 109.5(2) . .
O2 Ag2 O6 89.9(2) . .
C15 Ag2 O6 100.5(2) 3_575 .
C1 Ag2 Ag3 46.55(17) . .
O2 Ag2 Ag3 89.30(16) . .
C15 Ag2 Ag3 104.93(16) 3_575 .
O6 Ag2 Ag3 153.09(15) . .
C1 Ag2 Ag5 83.72(18) . 3_575
O2 Ag2 Ag5 144.37(16) . 3_575
C15 Ag2 Ag5 44.93(16) 3_575 3_575
O6 Ag2 Ag5 116.66(14) . 3_575
Ag3 Ag2 Ag5 77.30(2) . 3_575
C1 Ag2 Ag6 103.44(17) . .
O2 Ag2 Ag6 84.90(16) . .
C15 Ag2 Ag6 51.44(16) 3_575 .
O6 Ag2 Ag6 146.36(15) . .
Ag3 Ag2 Ag6 60.236(18) . .
Ag5 Ag2 Ag6 59.722(18) 3_575 .
C1 Ag3 C23 159.8(3) . .
C1 Ag3 N5 97.1(2) . 3_675
C23 Ag3 N5 99.8(2) . 3_675
C1 Ag3 C46 98.4(2) . 3_675
C23 Ag3 C46 97.2(2) . 3_675
N5 Ag3 C46 72.5(2) 3_675 3_675
C1 Ag3 Ag4 112.74(19) . .
C23 Ag3 Ag4 52.27(18) . .
N5 Ag3 Ag4 103.67(15) 3_675 .
C46 Ag3 Ag4 148.83(14) 3_675 .
C1 Ag3 Ag1 51.5(2) . .
C23 Ag3 Ag1 117.23(18) . .
N5 Ag3 Ag1 90.24(14) 3_675 .
C46 Ag3 Ag1 143.89(14) 3_675 .
Ag4 Ag3 Ag1 65.092(19) . .
C1 Ag3 Ag2 52.38(19) . .
C23 Ag3 Ag2 113.70(18) . .
N5 Ag3 Ag2 145.45(14) 3_675 .
C46 Ag3 Ag2 94.25(14) 3_675 .
Ag4 Ag3 Ag2 103.48(2) . .
Ag1 Ag3 Ag2 82.22(2) . .
C1 Ag3 Ag6 110.23(19) . .
C23 Ag3 Ag6 52.47(18) . .
N5 Ag3 Ag6 152.23(14) 3_675 .
C46 Ag3 Ag6 107.06(15) 3_675 .
Ag4 Ag3 Ag6 61.795(18) . .
Ag1 Ag3 Ag6 102.74(2) . .
Ag2 Ag3 Ag6 61.709(18) . .
C23 Ag4 O4 99.5(2) . .
C23 Ag4 C15 114.3(2) . .
O4 Ag4 C15 101.5(2) . .
C23 Ag4 C31 146.0(2) . 3_575
O4 Ag4 C31 95.0(2) . 3_575
C15 Ag4 C31 92.4(2) . 3_575
C23 Ag4 Ag3 48.44(16) . .
O4 Ag4 Ag3 88.66(16) . .
C15 Ag4 Ag3 161.83(16) . .
C31 Ag4 Ag3 101.79(15) 3_575 .
C23 Ag4 Ag5 81.95(16) . .
O4 Ag4 Ag5 139.41(15) . .
C15 Ag4 Ag5 44.73(16) . .
C31 Ag4 Ag5 106.23(14) 3_575 .
Ag3 Ag4 Ag5 119.10(2) . .
C23 Ag4 Ag6 51.73(17) . .
O4 Ag4 Ag6 147.40(16) . .
C15 Ag4 Ag6 104.59(16) . .
C31 Ag4 Ag6 103.06(15) 3_575 .
Ag3 Ag4 Ag6 61.368(19) . .
Ag5 Ag4 Ag6 60.168(17) . .
C23 Ag4 Ag5 105.70(17) . 3_575
O4 Ag4 Ag5 129.94(14) . 3_575
C15 Ag4 Ag5 106.17(16) . 3_575
C31 Ag4 Ag5 43.79(15) 3_575 3_575
Ag3 Ag4 Ag5 77.510(19) . 3_575
Ag5 Ag4 Ag5 87.177(19) . 3_575
Ag6 Ag4 Ag5 59.476(17) . 3_575
C23 Ag4 Ag1 106.58(16) . .
O4 Ag4 Ag1 73.79(15) . .
C15 Ag4 Ag1 138.98(16) . .
C31 Ag4 Ag1 48.84(14) 3_575 .
Ag3 Ag4 Ag1 58.248(17) . .
Ag5 Ag4 Ag1 145.08(2) . .
Ag6 Ag4 Ag1 98.03(2) . .
Ag5 Ag4 Ag1 57.909(17) 3_575 .
C23 Ag4 Ag6 136.27(17) . 3_575
O4 Ag4 Ag6 122.34(16) . 3_575
C15 Ag4 Ag6 49.68(16) . 3_575
C31 Ag4 Ag6 49.48(14) 3_575 3_575
Ag3 Ag4 Ag6 135.41(2) . 3_575
Ag5 Ag4 Ag6 58.621(17) . 3_575
Ag6 Ag4 Ag6 89.70(2) . 3_575
Ag5 Ag4 Ag6 58.164(17) 3_575 3_575
Ag1 Ag4 Ag6 97.53(2) . 3_575
C15 Ag5 C31 166.8(2) . .
C15 Ag5 N1 93.8(2) . .
C31 Ag5 N1 98.8(2) . .
C15 Ag5 Ag1 133.14(18) . 3_575
C31 Ag5 Ag1 53.01(17) . 3_575
N1 Ag5 Ag1 84.07(14) . 3_575
C15 Ag5 Ag4 54.98(17) . .
C31 Ag5 Ag4 114.11(17) . .
N1 Ag5 Ag4 120.67(14) . .
Ag1 Ag5 Ag4 154.97(2) 3_575 .
C15 Ag5 Ag2 53.37(18) . 3_575
C31 Ag5 Ag2 132.76(17) . 3_575
N1 Ag5 Ag2 80.85(15) . 3_575
Ag1 Ag5 Ag2 80.27(2) 3_575 3_575
Ag4 Ag5 Ag2 105.76(2) . 3_575
C15 Ag5 Ag6 53.47(18) . 3_575
C31 Ag5 Ag6 116.53(18) . 3_575
N1 Ag5 Ag6 139.57(15) . 3_575
Ag1 Ag5 Ag6 101.18(2) 3_575 3_575
Ag4 Ag5 Ag6 63.306(18) . 3_575
Ag2 Ag5 Ag6 61.086(18) 3_575 3_575
C15 Ag5 Ag6 114.97(17) . .
C31 Ag5 Ag6 53.76(17) . .
N1 Ag5 Ag6 125.57(15) . .
Ag1 Ag5 Ag6 103.52(2) 3_575 .
Ag4 Ag5 Ag6 60.371(17) . .
Ag2 Ag5 Ag6 153.40(2) 3_575 .
Ag6 Ag5 Ag6 92.52(2) 3_575 .
C15 Ag5 Ag4 113.14(18) . 3_575
C31 Ag5 Ag4 57.00(18) . 3_575
N1 Ag5 Ag4 145.70(14) . 3_575
Ag1 Ag5 Ag4 62.161(17) 3_575 3_575
Ag4 Ag5 Ag4 92.823(19) . 3_575
Ag2 Ag5 Ag4 98.05(2) 3_575 3_575
Ag6 Ag5 Ag4 59.798(18) 3_575 3_575
Ag6 Ag5 Ag4 62.611(17) . 3_575
O1 Ag6 C23 90.7(2) . .
O1 Ag6 C15 102.7(2) . 3_575
C23 Ag6 C15 145.1(2) . 3_575
O1 Ag6 C31 104.3(2) . .
C23 Ag6 C31 110.8(2) . .
C15 Ag6 C31 97.1(2) 3_575 .
O1 Ag6 Ag3 85.32(15) . .
C23 Ag6 Ag3 45.93(15) . .
C15 Ag6 Ag3 102.59(15) 3_575 .
C31 Ag6 Ag3 155.66(16) . .
O1 Ag6 Ag5 134.53(15) . 3_575
C23 Ag6 Ag5 104.19(16) . 3_575
C15 Ag6 Ag5 44.64(16) 3_575 3_575
C31 Ag6 Ag5 109.65(16) . 3_575
Ag3 Ag6 Ag5 76.036(19) . 3_575
O1 Ag6 Ag5 137.81(15) . .
C23 Ag6 Ag5 79.91(16) . .
C15 Ag6 Ag5 108.36(15) 3_575 .
C31 Ag6 Ag5 44.79(16) . .
Ag3 Ag6 Ag5 114.10(2) . .
Ag5 Ag6 Ag5 87.48(2) 3_575 .
O1 Ag6 Ag4 136.74(16) . .
C23 Ag6 Ag4 48.75(16) . .
C15 Ag6 Ag4 105.26(16) 3_575 .
C31 Ag6 Ag4 104.24(16) . .
Ag3 Ag6 Ag4 56.836(17) . .
Ag5 Ag6 Ag4 60.725(17) 3_575 .
Ag5 Ag6 Ag4 59.461(18) . .
O1 Ag6 Ag2 75.68(15) . .
C23 Ag6 Ag2 103.60(16) . .
C15 Ag6 Ag2 50.99(15) 3_575 .
C31 Ag6 Ag2 145.64(16) . .
Ag3 Ag6 Ag2 58.055(18) . .
Ag5 Ag6 Ag2 59.192(18) 3_575 .
Ag5 Ag6 Ag2 146.50(2) . .
Ag4 Ag6 Ag2 97.42(2) . .
O1 Ag6 Ag4 132.92(16) . 3_575
C23 Ag6 Ag4 134.32(16) . 3_575
C15 Ag6 Ag4 50.88(15) 3_575 3_575
C31 Ag6 Ag4 53.59(16) . 3_575
Ag3 Ag6 Ag4 133.20(2) . 3_575
Ag5 Ag6 Ag4 58.073(17) 3_575 3_575
Ag5 Ag6 Ag4 59.225(17) . 3_575
Ag4 Ag6 Ag4 90.30(2) . 3_575
Ag2 Ag6 Ag4 100.65(2) . 3_575
C2 C1 Ag3 164.9(6) . .
C2 C1 Ag1 110.6(6) . .
Ag3 C1 Ag1 81.5(2) . .
C2 C1 Ag2 102.0(5) . .
Ag3 C1 Ag2 81.1(2) . .
Ag1 C1 Ag2 111.3(3) . .
C1 C2 C3 179.2(8) . .
C4 C3 C8 119.6(7) . .
C4 C3 C2 120.6(7) . .
C8 C3 C2 119.8(7) . .
C3 C4 C5 120.9(9) . .
C3 C4 H4 119.5 . .
C5 C4 H4 119.5 . .
C6 C5 C4 119.4(10) . .
C6 C5 H5 120.3 . .
C4 C5 H5 120.3 . .
C5 C6 C7 120.1(9) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C6 C7 C8 121.3(10) . .
C6 C7 H7 119.4 . .
C8 C7 H7 119.4 . .
C7 C8 C3 118.7(9) . .
C7 C8 H8 120.6 . .
C3 C8 H8 120.6 . .
S3 C9 H9A 109.5 . .
S3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
S3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
S3 C10 H10A 109.5 . .
S3 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
S3 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O4 C11 O5 131.7(7) . .
O4 C11 C12 113.7(7) . .
O5 C11 C12 114.5(7) . .
F3 C12 F1 108.3(9) . .
F3 C12 F2 103.2(7) . .
F1 C12 F2 107.1(9) . .
F3 C12 C11 112.7(8) . .
F1 C12 C11 113.9(7) . .
F2 C12 C11 111.0(8) . .
S4 C13 H13A 109.5 . .
S4 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
S4 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
S4 C14 H14A 109.5 . .
S4 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
S4 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 Ag5 166.3(6) . .
C16 C15 Ag2 99.2(5) . 3_575
Ag5 C15 Ag2 81.7(2) . 3_575
C16 C15 Ag6 111.7(6) . 3_575
Ag5 C15 Ag6 81.9(2) . 3_575
Ag2 C15 Ag6 77.6(2) 3_575 3_575
C16 C15 Ag4 103.2(5) . .
Ag5 C15 Ag4 80.3(2) . .
Ag2 C15 Ag4 152.5(3) 3_575 .
Ag6 C15 Ag4 79.43(19) 3_575 .
C15 C16 C17 176.1(8) . .
C22 C17 C18' 85.5(15) . .
C22 C17 C16 121.3(10) . .
C18' C17 C16 126.4(16) . .
C22 C17 C18 117.6(13) . .
C18' C17 C18 54.4(12) . .
C16 C17 C18 120.9(10) . .
C22 C17 C22' 57.4(14) . .
C18' C17 C22' 115(2) . .
C16 C17 C22' 118.7(15) . .
C18 C17 C22' 95.2(14) . .
C17 C18 C19 117.0(15) . .
C17 C18 H18 121.5 . .
C19 C18 H18 121.5 . .
C20 C19 C18 120.3(17) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C20 C21 C22 112.5(17) . .
C20 C21 H21 123.8 . .
C22 C21 H21 123.8 . .
C17 C22 C21 127.9(16) . .
C17 C22 H22 116.1 . .
C21 C22 H22 116.1 . .
C17 C18' C19' 130(3) . .
C17 C18' H18' 115.1 . .
C19' C18' H18' 115.1 . .
C20 C19' C18' 110(3) . .
C20 C19' H19' 125.1 . .
C18' C19' H19' 125.1 . .
C22' C21' C20 116(3) . .
C22' C21' H21' 121.9 . .
C20 C21' H21' 121.9 . .
C21' C22' C17 122(3) . .
C21' C22' H22' 119.1 . .
C17 C22' H22' 119.1 . .
C21 C20 C19' 95.8(16) . .
C21 C20 C19 123.1(16) . .
C19' C20 C19 52.3(14) . .
C21 C20 C21' 60.9(14) . .
C19' C20 C21' 128(2) . .
C19 C20 C21' 99.6(16) . .
C21 C20 H20 118.5 . .
C19' C20 H20 122.4 . .
C19 C20 H20 118.5 . .
C21' C20 H20 109.5 . .
C24 C23 Ag3 139.3(6) . .
C24 C23 Ag4 141.3(6) . .
Ag3 C23 Ag4 79.3(2) . .
C24 C23 Ag6 103.7(5) . .
Ag3 C23 Ag6 81.6(2) . .
Ag4 C23 Ag6 79.5(2) . .
C23 C24 C25 179.4(8) . .
C26 C25 C30 117.1(7) . .
C26 C25 C24 122.6(7) . .
C30 C25 C24 120.3(7) . .
C27 C26 C25 121.1(8) . .
C27 C26 H26 119.4 . .
C25 C26 H26 119.4 . .
C26 C27 C28 120.8(8) . .
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C27 C28 C29 118.8(8) . .
C27 C28 H28 120.6 . .
C29 C28 H28 120.6 . .
C30 C29 C28 119.9(10) . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 C25 122.3(10) . .
C29 C30 H30 118.9 . .
C25 C30 H30 118.9 . .
C32 C31 Ag5 161.4(6) . .
C32 C31 Ag1 96.6(5) . 3_575
Ag5 C31 Ag1 81.6(2) . 3_575
C32 C31 Ag6 106.8(5) . .
Ag5 C31 Ag6 81.5(2) . .
Ag1 C31 Ag6 150.9(3) 3_575 .
C32 C31 Ag4 118.6(5) . 3_575
Ag5 C31 Ag4 79.2(2) . 3_575
Ag1 C31 Ag4 76.74(19) 3_575 3_575
Ag6 C31 Ag4 76.93(18) . 3_575
C31 C32 C33 177.6(8) . .
C38 C33 C34 120.2(8) . .
C38 C33 C32 119.3(8) . .
C34 C33 C32 120.5(7) . .
C35 C34 C33 118.9(8) . .
C35 C34 H34 120.6 . .
C33 C34 H34 120.6 . .
C36 C35 C34 121.2(9) . .
C36 C35 H35 119.4 . .
C34 C35 H35 119.4 . .
C35 C36 C37 120.7(9) . .
C35 C36 H36 119.6 . .
C37 C36 H36 119.6 . .
C36 C37 C38 119.9(10) . .
C36 C37 H37 120.1 . .
C38 C37 H37 120.1 . .
C37 C38 C33 119.1(9) . .
C37 C38 H38 120.5 . .
C33 C38 H38 120.5 . .
N2 C39 C40 122.7(7) . .
N2 C39 S2 120.6(6) . .
C40 C39 S2 116.6(6) . .
N1 C40 C39 121.0(8) . .
N1 C40 H40 119.5 . .
C39 C40 H40 119.5 . .
N1 C41 C42 121.4(7) . .
N1 C41 H41 119.3 . .
C42 C41 H41 119.3 . .
N2 C42 C41 121.7(7) . .
N2 C42 S1 120.5(6) . .
C41 C42 S1 117.7(6) . .
C44 C43 N4 123.3(7) . .
C44 C43 S1 115.9(6) . .
N4 C43 S1 120.7(6) . .
C43 C44 N3 116.7(8) . .
C43 C44 H44 121.6 . .
N3 C44 H44 121.6 . .
C46 C45 N3 122.8(8) . .
C46 C45 H45 118.6 . .
N3 C45 H45 118.6 . .
C45 C46 N4 115.9(7) . .
C45 C46 Ag3 121.1(5) . 3_675
N4 C46 Ag3 120.6(5) . 3_675
C45 C46 H46 122.0 . .
N4 C46 H46 122.0 . .
Ag3 C46 H46 14.8 3_675 .
N5 C47 C50 121.1(7) . .
N5 C47 H47 119.4 . .
C50 C47 H47 119.4 . .
N5 C48 C49 121.4(8) . .
N5 C48 H48 119.3 . .
C49 C48 H48 119.3 . .
N6 C49 C48 122.9(8) . .
N6 C49 H49 118.6 . .
C48 C49 H49 118.6 . .
N6 C50 C47 123.3(8) . .
N6 C50 S2 114.2(6) . .
C47 C50 S2 122.3(6) . .
O1 C51 O2 130.7(8) . .
O1 C51 C52 113.1(9) . .
O2 C51 C52 116.1(9) . .
C40 N1 C41 117.3(6) . .
C40 N1 Ag5 121.3(5) . .
C41 N1 Ag5 121.3(5) . .
C39 N2 C42 115.9(7) . .
C44 N3 C45 120.4(8) . .
C46 N4 C43 120.9(7) . .
C48 N5 C47 116.4(7) . .
C48 N5 Ag3 119.6(5) . 3_675
C47 N5 Ag3 123.5(5) . 3_675
C50 N6 C49 114.7(7) . .
C51 O1 Ag6 129.7(6) . .
C51 O2 Ag2 118.7(6) . .
S3 O3 Ag1 121.1(3) . .
C11 O4 Ag4 133.1(5) . .
C11 O5 Ag1 115.7(5) . .
S4 O6 Ag2 133.6(4) . .
O3 S3 C9 106.6(6) . .
O3 S3 C10 107.6(4) . .
C9 S3 C10 96.0(6) . .
O6 S4 C14 108.0(5) . .
O6 S4 C13 101.8(6) . .
C14 S4 C13 96.6(7) . .
C39 S2 C50 102.3(4) . .
C42 S1 C43 101.8(4) . .
F5' C52 F6 112.4(18) . .
F5' C52 F4' 126.1(17) . .
F6 C52 F4' 33.5(10) . .
F5' C52 F5 19.6(17) . .
F6 C52 F5 105.7(17) . .
F4' C52 F5 130.0(16) . .
F5' C52 F4 87.3(15) . .
F6 C52 F4 108.5(14) . .
F4' C52 F4 78.5(13) . .
F5 C52 F4 106.9(15) . .
F5' C52 C51 121.0(15) . .
F6 C52 C51 112.9(13) . .
F4' C52 C51 112.6(12) . .
F5 C52 C51 111.0(14) . .
F4 C52 C51 111.5(11) . .
F5' C52 F6' 91.7(17) . .
F6 C52 F6' 41.5(12) . .
F4' C52 F6' 74.8(14) . .
F5 C52 F6' 76.0(16) . .
F4 C52 F6' 145.9(14) . .
C51 C52 F6' 98.1(12) . .
O7 S5 C54 110.4(13) . .
O7 S5 C53 106.9(12) . .
C54 S5 C53 90(3) . .
S5 C53 H53A 109.5 . .
S5 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
S5 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
S5 C54 H54A 109.5 . .
S5 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
S5 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.293(7) .
Ag1 O5 2.390(5) .
Ag1 C31 2.391(6) 3_575
Ag1 O3 2.431(6) .
Ag1 Ag3 2.8978(7) .
Ag1 Ag5 2.9614(7) 3_575
Ag1 Ag4 3.0909(8) .
Ag2 C1 2.340(7) .
Ag2 O2 2.353(6) .
Ag2 C15 2.409(6) 3_575
Ag2 O6 2.422(6) .
Ag2 Ag3 2.9180(8) .
Ag2 Ag5 2.9711(8) 3_575
Ag2 Ag6 3.0280(8) .
Ag3 C1 2.145(7) .
Ag3 C23 2.168(6) .
Ag3 N5 2.518(6) 3_675
Ag3 C46 2.525(7) 3_675
Ag3 Ag4 2.8470(7) .
Ag3 Ag6 2.9851(8) .
Ag4 C23 2.292(7) .
Ag4 O4 2.364(5) .
Ag4 C15 2.467(6) .
Ag4 C31 2.583(7) 3_575
Ag4 Ag5 2.9697(7) .
Ag4 Ag6 2.9972(8) .
Ag4 Ag5 3.0250(8) 3_575
Ag4 Ag6 3.1261(8) 3_575
Ag5 C15 2.120(7) .
Ag5 C31 2.131(7) .
Ag5 N1 2.520(6) .
Ag5 Ag1 2.9614(7) 3_575
Ag5 Ag2 2.9711(8) 3_575
Ag5 Ag6 2.9873(7) 3_575
Ag5 Ag6 2.9911(8) .
Ag5 Ag4 3.0250(8) 3_575
Ag6 O1 2.383(6) .
Ag6 C23 2.393(7) .
Ag6 C15 2.425(7) 3_575
Ag6 C31 2.439(6) .
Ag6 Ag5 2.9873(7) 3_575
Ag6 Ag4 3.1261(8) 3_575
C1 C2 1.200(10) .
C2 C3 1.446(10) .
C3 C4 1.363(12) .
C3 C8 1.381(11) .
C4 C5 1.386(13) .
C4 H4 0.9300 .
C5 C6 1.348(15) .
C5 H5 0.9300 .
C6 C7 1.367(16) .
C6 H6 0.9300 .
C7 C8 1.375(13) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 S3 1.748(13) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 S3 1.769(10) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 O4 1.231(10) .
C11 O5 1.232(10) .
C11 C12 1.535(11) .
C12 F3 1.302(12) .
C12 F1 1.303(11) .
C12 F2 1.353(12) .
C13 S4 1.842(16) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 S4 1.755(13) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.212(11) .
C15 Ag2 2.409(6) 3_575
C15 Ag6 2.425(7) 3_575
C16 C17 1.405(12) .
C17 C22 1.378(8) .
C17 C18' 1.391(9) .
C17 C18 1.406(8) .
C17 C22' 1.406(9) .
C18 C19 1.407(8) .
C18 H18 0.9300 .
C19 C20 1.404(8) .
C19 H19 0.9300 .
C21 C20 1.377(8) .
C21 C22 1.386(8) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C18' C19' 1.396(9) .
C18' H18' 0.9300 .
C19' C20 1.388(9) .
C19' H19' 0.9300 .
C21' C22' 1.402(9) .
C21' C20 1.406(9) .
C21' H21' 0.9300 .
C22' H22' 0.9300 .
C20 H20 0.9300 .
C23 C24 1.202(10) .
C24 C25 1.435(10) .
C25 C26 1.377(11) .
C25 C30 1.385(12) .
C26 C27 1.367(11) .
C26 H26 0.9300 .
C27 C28 1.367(13) .
C27 H27 0.9300 .
C28 C29 1.382(15) .
C28 H28 0.9300 .
C29 C30 1.350(14) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.206(10) .
C31 Ag1 2.391(6) 3_575
C31 Ag4 2.583(7) 3_575
C32 C33 1.441(10) .
C33 C38 1.394(13) .
C33 C34 1.396(12) .
C34 C35 1.371(12) .
C34 H34 0.9300 .
C35 C36 1.362(15) .
C35 H35 0.9300 .
C36 C37 1.370(16) .
C36 H36 0.9300 .
C37 C38 1.392(14) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 N2 1.321(11) .
C39 C40 1.379(12) .
C39 S2 1.759(8) .
C40 N1 1.327(10) .
C40 H40 0.9300 .
C41 N1 1.333(10) .
C41 C42 1.371(10) .
C41 H41 0.9300 .
C42 N2 1.351(10) .
C42 S1 1.753(8) .
C43 C44 1.303(11) .
C43 N4 1.362(11) .
C43 S1 1.775(8) .
C44 N3 1.333(12) .
C44 H44 0.9300 .
C45 C46 1.328(10) .
C45 N3 1.368(12) .
C45 H45 0.9300 .
C46 N4 1.332(10) .
C46 Ag3 2.525(7) 3_675
C46 H46 0.9300 .
C47 N5 1.329(10) .
C47 C50 1.367(11) .
C47 H47 0.9300 .
C48 N5 1.325(10) .
C48 C49 1.365(12) .
C48 H48 0.9300 .
C49 N6 1.334(12) .
C49 H49 0.9300 .
C50 N6 1.319(11) .
C50 S2 1.768(9) .
C51 O1 1.224(11) .
C51 O2 1.230(12) .
C51 C52 1.534(15) .
N5 Ag3 2.518(6) 3_675
O3 S3 1.505(6) .
O6 S4 1.466(6) .
F4 C52 1.41(2) .
F5 C52 1.35(3) .
F6 C52 1.29(2) .
F4' C52 1.31(2) .
F5' C52 1.18(3) .
F6' C52 1.64(3) .
S5 O7 1.504(10) .
S5 C54 1.765(10) .
S5 C53 1.778(10) .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
