#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:25:51 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178623 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/34/4073486.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_4073486
loop_
_publ_author_name
'Zhao, Liang'
'Mak, Thomas C. W.'
_publ_section_title
;
 Silver(I)−Thiophene π Interaction in the Assembly of Coordination
 Networks with the Supramolecular Synthons
 R−C⋮C⊃Agn(R = 2- or 3-thienyl;n= 4)†
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4439
_journal_paper_doi               10.1021/om700370p
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C21 H3 Ag6 F25 O14 S'
_chemical_formula_weight         1633.51
_chemical_name_common
'(C4H3S-3)CCAg · 5AgC2F5CO2 · 4H2O'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.1464(18)
_cell_length_b                   20.208(2)
_cell_length_c                   29.490(4)
_cell_measurement_temperature    293(2)
_cell_volume                     8430.3(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37868
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    2.949
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.750304
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             6112
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.902
_refine_diff_density_min         -0.950
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       0.00016(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     630
_refine_ls_number_reflns         8454
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0541
_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)+(0.0883P)²+42.0931P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1847
_reflns_number_gt                5362
_reflns_number_total             8454
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700370p.cif
_cod_data_source_block           Complex_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      Pbcm
_cod_database_code               4073486
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y-1/2, 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_group
Ag1 Ag 0.53927(5) 0.35989(4) 0.49758(3) 0.0637(2) Uani 1 1 d . .
Ag2 Ag 0.42455(6) 0.38019(4) 0.58042(2) 0.0697(3) Uani 1 1 d . .
Ag3 Ag 0.38379(6) 0.46998(4) 0.50366(3) 0.0675(2) Uani 1 1 d . .
Ag4 Ag 0.43833(11) 0.24267(13) 0.54880(9) 0.0718(5) Uani 0.90 1 d P .
Ag4' Ag 0.3997(10) 0.2410(10) 0.5454(7) 0.064(4) Uani 0.10 1 d P .
Ag5 Ag 0.37839(7) 0.41703(6) 0.70068(3) 0.0877(3) Uani 1 1 d . .
Ag6 Ag 0.09076(6) 0.50821(7) 0.51828(3) 0.1019(4) Uani 1 1 d . .
S1 S 0.0346(4) 0.3500(4) 0.5014(4) 0.234(5) Uani 1 1 d . .
C1 C 0.3929(6) 0.3506(4) 0.5084(3) 0.0493(19) Uani 1 1 d . .
C2 C 0.3071(7) 0.3536(4) 0.5012(3) 0.052(2) Uani 1 1 d . .
C3 C 0.2081(7) 0.3518(5) 0.4941(4) 0.066(3) Uani 1 1 d . .
C4 C 0.1669(10) 0.3481(8) 0.4512(6) 0.116(5) Uani 1 1 d . .
H4A H 0.2026 0.3466 0.4247 0.139 Uiso 1 1 calc R .
C5 C 0.0587(6) 0.3466(6) 0.4507(4) 0.069(3) Uani 1 1 d . .
H5A H 0.0180 0.3443 0.4260 0.083 Uiso 1 1 calc R .
C6 C 0.1410(9) 0.3549(8) 0.5275(5) 0.105(4) Uani 1 1 d . .
H6A H 0.1518 0.3589 0.5585 0.126 Uiso 1 1 calc R .
O1 O 0.4732(5) 0.5337(3) 0.5584(2) 0.0656(17) Uani 1 1 d . .
O2 O 0.4289(5) 0.4791(3) 0.6207(2) 0.0672(17) Uani 1 1 d . .
C7 C 0.4636(7) 0.5257(5) 0.6008(3) 0.056(2) Uani 1 1 d . .
C8 C 0.5082(11) 0.5791(7) 0.6295(5) 0.118(5) Uani 1 1 d D .
C9 C 0.5214(12) 0.5776(7) 0.6752(8) 0.235(18) Uani 1 1 d D .
F11 F 0.6023(10) 0.5929(7) 0.6122(5) 0.206(7) Uani 1 1 d D .
F12 F 0.4682(11) 0.6398(5) 0.6193(4) 0.195(7) Uani 1 1 d D .
F13 F 0.4316(12) 0.5699(8) 0.6883(6) 0.325(16) Uani 1 1 d D .
F14 F 0.5732(11) 0.5231(7) 0.6819(6) 0.231(9) Uani 1 1 d D .
F15 F 0.5612(10) 0.6306(6) 0.6932(3) 0.216(7) Uani 1 1 d D .
O3 O 0.1368(5) 0.5312(5) 0.4482(3) 0.093(3) Uani 1 1 d . .
O4 O -0.0073(6) 0.5127(5) 0.4203(3) 0.103(3) Uani 1 1 d . .
C10 C 0.0781(9) 0.5279(7) 0.4177(4) 0.086(3) Uani 1 1 d . .
C11 C 0.1127(12) 0.5438(10) 0.3694(5) 0.118(5) Uani 1 1 d D .
C12 C 0.1415(12) 0.4860(10) 0.3439(5) 0.206(15) Uani 1 1 d D .
F21 F 0.1890(10) 0.5828(8) 0.3705(3) 0.208(7) Uani 1 1 d . .
F22 F 0.0444(11) 0.5742(7) 0.3434(4) 0.202(6) Uani 1 1 d . .
F23 F 0.2164(10) 0.4632(11) 0.3660(5) 0.275(10) Uani 1 1 d D .
F24 F 0.0738(11) 0.4425(7) 0.3436(4) 0.198(6) Uani 1 1 d D .
F25 F 0.1658(12) 0.5028(11) 0.3016(4) 0.282(11) Uani 1 1 d D .
O5 O 0.3272(7) 0.2373(4) 0.6042(3) 0.088(2) Uani 1 1 d . .
O6 O 0.3448(6) 0.3334(4) 0.6399(2) 0.082(2) Uani 1 1 d . .
C13 C 0.3118(8) 0.2764(7) 0.6339(3) 0.074(3) Uani 1 1 d . .
C14 C 0.2430(15) 0.2550(9) 0.6715(5) 0.128(6) Uani 1 1 d D .
C15 C 0.1465(15) 0.2791(9) 0.6724(5) 0.195(13) Uani 1 1 d D .
F31 F 0.2364(12) 0.1887(7) 0.6720(6) 0.243(9) Uani 1 1 d D .
F32 F 0.2863(14) 0.2559(11) 0.7103(4) 0.280(11) Uani 1 1 d D .
F33 F 0.1659(17) 0.3373(8) 0.6866(7) 0.349(17) Uani 1 1 d D .
F34 F 0.0934(10) 0.2494(8) 0.7005(4) 0.239(9) Uani 1 1 d D .
F35 F 0.1159(9) 0.2766(13) 0.6328(5) 0.301(14) Uani 1 1 d D .
O7 O 0.6733(5) 0.3382(4) 0.4640(2) 0.0723(19) Uani 1 1 d . .
O8 O 0.6078(5) 0.2468(4) 0.4343(3) 0.0729(19) Uani 1 1 d . .
C16 C 0.6736(7) 0.2854(6) 0.4422(4) 0.075(3) Uani 1 1 d . .
C17 C 0.7739(12) 0.2660(8) 0.4264(5) 0.164(10) Uani 1 1 d D .
C18 C 0.8051(9) 0.2895(8) 0.3825(6) 0.210(14) Uani 1 1 d D .
F41 F 0.7892(9) 0.1997(7) 0.4308(6) 0.223(7) Uani 1 1 d D .
F42 F 0.8456(7) 0.2868(10) 0.4560(4) 0.230(8) Uani 1 1 d D .
F43 F 0.7398(9) 0.2557(10) 0.3610(4) 0.288(12) Uani 1 1 d D .
F44 F 0.8908(7) 0.2690(8) 0.3750(6) 0.271(10) Uani 1 1 d D .
F45 F 0.7937(12) 0.3514(7) 0.3856(6) 0.278(12) Uani 1 1 d D .
O9 O 0.2530(5) 0.4779(5) 0.7123(2) 0.093(2) Uani 1 1 d . .
C19 C 0.2222(10) 0.4929(8) 0.7500 0.074(4) Uani 1 2 d SD .
C20 C 0.1239(19) 0.526(2) 0.7500 0.175(15) Uani 1 2 d SD .
C21 C 0.1330(18) 0.600(2) 0.7500 0.27(3) Uiso 1 2 d SD .
F51 F 0.0638(19) 0.5029(19) 0.7260(18) 0.23(3) Uani 0.55(5) 1 d P 1
F51' F 0.113(3) 0.558(3) 0.6972(8) 0.17(3) Uani 0.45(5) 1 d P 2
F52 F 0.195(2) 0.6179(8) 0.7205(11) 0.41(2) Uani 1 1 d D .
F53 F 0.051(2) 0.6298(14) 0.7500 0.322(18) Uani 1 2 d SD .
O10 O 0.5179(6) 0.3729(4) 0.7119(2) 0.091(2) Uani 1 1 d . .
C22 C 0.5514(12) 0.3606(10) 0.7500 0.086(5) Uani 1 2 d S .
C23 C 0.6604(18) 0.3352(9) 0.7500 0.209(19) Uani 1 2 d SD .
C24 C 0.671(2) 0.2639(10) 0.7500 0.36(6) Uiso 1 2 d SD .
F61 F 0.7078(9) 0.3582(9) 0.7128(4) 0.212(7) Uani 1 1 d . .
F62 F 0.764(3) 0.262(2) 0.7500 0.49(4) Uani 1 2 d SD .
F63 F 0.6141(14) 0.2504(7) 0.7845(8) 0.260(9) Uani 1 1 d D .
O1W O -0.1917(6) -0.0270(5) 0.6198(3) 0.110(3) Uani 1 1 d . .
O2W O 0.3405(4) 0.5593(4) 0.4541(2) 0.0685(17) Uani 1 1 d . .
O3W O 0.2487(4) 0.5295(3) 0.5440(2) 0.0661(17) Uani 1 1 d . .
O4W O 0.5783(5) 0.3686(4) 0.6185(2) 0.0719(18) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 O7 154.9(3) . .
C1 Ag1 Ag4 61.1(2) . 4_556
O7 Ag1 Ag4 94.07(19) . 4_556
C1 Ag1 Ag2 49.3(2) . .
O7 Ag1 Ag2 151.4(2) . .
Ag4 Ag1 Ag2 102.76(5) 4_556 .
C1 Ag1 Ag4' 51.5(4) . 4_556
O7 Ag1 Ag4' 103.6(3) . 4_556
Ag4 Ag1 Ag4' 9.6(3) 4_556 4_556
Ag2 Ag1 Ag4' 94.5(3) . 4_556
C1 Ag1 Ag3 50.5(2) . .
O7 Ag1 Ag3 141.1(2) . .
Ag4 Ag1 Ag3 101.02(5) 4_556 .
Ag2 Ag1 Ag3 57.99(3) . .
Ag4' Ag1 Ag3 92.5(3) 4_556 .
C1 Ag1 Ag4 54.1(2) . .
O7 Ag1 Ag4 117.4(2) . .
Ag4 Ag1 Ag4 57.26(9) 4_556 .
Ag2 Ag1 Ag4 57.34(5) . .
Ag4' Ag1 Ag4 54.2(4) 4_556 .
Ag3 Ag1 Ag4 100.85(5) . .
C1 Ag2 O6 121.0(3) . .
C1 Ag2 O2 135.7(3) . .
O6 Ag2 O2 88.7(3) . .
C1 Ag2 O4W 125.5(3) . .
O6 Ag2 O4W 92.7(3) . .
O2 Ag2 O4W 79.9(2) . .
C1 Ag2 Ag4 57.5(2) . .
O6 Ag2 Ag4 83.4(2) . .
O2 Ag2 Ag4 166.74(18) . .
O4W Ag2 Ag4 89.78(18) . .
C1 Ag2 Ag3 53.3(2) . .
O6 Ag2 Ag3 138.0(2) . .
O2 Ag2 Ag3 82.45(17) . .
O4W Ag2 Ag3 125.46(18) . .
Ag4 Ag2 Ag3 110.50(6) . .
C1 Ag2 Ag1 45.1(2) . .
O6 Ag2 Ag1 147.7(2) . .
O2 Ag2 Ag1 121.70(19) . .
O4W Ag2 Ag1 83.03(16) . .
Ag4 Ag2 Ag1 64.58(5) . .
Ag3 Ag2 Ag1 63.92(3) . .
C1 Ag2 Ag4' 53.6(5) . .
O6 Ag2 Ag4' 79.6(5) . .
O2 Ag2 Ag4' 168.3(5) . .
O4W Ag2 Ag4' 99.8(4) . .
Ag4 Ag2 Ag4' 10.6(3) . .
Ag3 Ag2 Ag4' 106.7(4) . .
Ag1 Ag2 Ag4' 69.6(4) . .
O2W Ag3 C1 143.0(3) . .
O2W Ag3 O1 98.0(2) . .
C1 Ag3 O1 117.6(3) . .
O2W Ag3 O3W 74.8(2) . .
C1 Ag3 O3W 118.9(3) . .
O1 Ag3 O3W 80.2(2) . .
O2W Ag3 C2 124.0(3) . .
C1 Ag3 C2 28.2(3) . .
O1 Ag3 C2 136.0(2) . .
O3W Ag3 C2 97.3(3) . .
O2W Ag3 Ag2 167.49(17) . .
C1 Ag3 Ag2 48.24(18) . .
O1 Ag3 Ag2 73.39(16) . .
O3W Ag3 Ag2 94.48(16) . .
C2 Ag3 Ag2 63.00(19) . .
O2W Ag3 Ag1 132.68(16) . .
C1 Ag3 Ag1 42.1(2) . .
O1 Ag3 Ag1 92.80(17) . .
O3W Ag3 Ag1 152.46(16) . .
C2 Ag3 Ag1 69.4(2) . .
Ag2 Ag3 Ag1 58.09(3) . .
Ag4' Ag4 O5 56(2) . .
Ag4' Ag4 O8 178(2) . 4_556
O5 Ag4 O8 122.3(3) . 4_556
Ag4' Ag4 C1 74(3) . .
O5 Ag4 C1 101.6(3) . .
O8 Ag4 C1 105.3(3) 4_556 .
Ag4' Ag4 C1 66(2) . 4_556
O5 Ag4 C1 105.1(3) . 4_556
O8 Ag4 C1 115.7(3) 4_556 4_556
C1 Ag4 C1 104.6(3) . 4_556
Ag4' Ag4 Ag4' 69(3) . 4_556
O5 Ag4 Ag4' 125.0(4) . 4_556
O8 Ag4 Ag4' 112.0(3) 4_556 4_556
C1 Ag4 Ag4' 53.2(4) . 4_556
C1 Ag4 Ag4' 53.6(4) 4_556 4_556
Ag4' Ag4 Ag1 111(2) . 4_556
O5 Ag4 Ag1 130.8(2) . 4_556
O8 Ag4 Ag1 70.94(18) 4_556 4_556
C1 Ag4 Ag1 121.2(2) . 4_556
C1 Ag4 Ag1 44.9(2) 4_556 4_556
Ag4' Ag4 Ag1 73.4(3) 4_556 4_556
Ag4' Ag4 Ag4 80(3) . 4_556
O5 Ag4 Ag4 136.1(2) . 4_556
O8 Ag4 Ag4 101.1(2) 4_556 4_556
C1 Ag4 Ag4 56.7(2) . 4_556
C1 Ag4 Ag4 55.3(2) 4_556 4_556
Ag4' Ag4 Ag4 11.1(3) 4_556 4_556
Ag1 Ag4 Ag4 66.37(8) 4_556 4_556
Ag4' Ag4 Ag2 93(2) . .
O5 Ag4 Ag2 76.8(2) . .
O8 Ag4 Ag2 85.31(18) 4_556 .
C1 Ag4 Ag2 47.72(18) . .
C1 Ag4 Ag2 150.7(2) 4_556 .
Ag4' Ag4 Ag2 100.8(3) 4_556 .
Ag1 Ag4 Ag2 150.35(8) 4_556 .
Ag4 Ag4 Ag2 102.64(13) 4_556 .
Ag4' Ag4 Ag1 114(3) . .
O5 Ag4 Ag1 134.0(2) . .
O8 Ag4 Ag1 65.79(19) 4_556 .
C1 Ag4 Ag1 41.6(2) . .
C1 Ag4 Ag1 110.2(2) 4_556 .
Ag4' Ag4 Ag1 62.1(3) 4_556 .
Ag1 Ag4 Ag1 95.12(7) 4_556 .
Ag4 Ag4 Ag1 56.38(8) 4_556 .
Ag2 Ag4 Ag1 58.07(5) . .
Ag4 Ag4' O5 110(3) . .
Ag4 Ag4' C1 102(2) . 4_556
O5 Ag4' C1 120.7(10) . 4_556
Ag4 Ag4' C1 94(3) . .
O5 Ag4' C1 113.2(8) . .
C1 Ag4' C1 113.0(9) 4_556 .
Ag4 Ag4' C2 128(2) . 4_556
O5 Ag4' C2 99.5(8) . 4_556
C1 Ag4' C2 27.2(3) 4_556 4_556
C1 Ag4' C2 113.1(8) . 4_556
Ag4 Ag4' Ag4' 100(3) . 4_556
O5 Ag4' Ag4' 149.0(6) . 4_556
C1 Ag4' Ag4' 57.2(7) 4_556 4_556
C1 Ag4' Ag4' 56.0(8) . 4_556
C2 Ag4' Ag4' 65.8(6) 4_556 4_556
Ag4 Ag4' Ag4 89(3) . 4_556
O5 Ag4' Ag4 160.1(8) . 4_556
C1 Ag4' Ag4 57.4(5) 4_556 4_556
C1 Ag4' Ag4 58.2(5) . 4_556
C2 Ag4' Ag4 71.2(5) 4_556 4_556
Ag4' Ag4' Ag4 11.1(3) 4_556 4_556
Ag4 Ag4' Ag2 76(2) . .
O5 Ag4' Ag2 78.4(6) . .
C1 Ag4' Ag2 159.2(10) 4_556 .
C1 Ag4' Ag2 47.2(4) . .
C2 Ag4' Ag2 153.2(7) 4_556 .
Ag4' Ag4' Ag2 102.3(11) 4_556 .
Ag4 Ag4' Ag2 101.7(7) 4_556 .
Ag4 Ag4' Ag1 59.4(19) . 4_556
O5 Ag4' Ag1 130.5(10) . 4_556
C1 Ag4' Ag1 42.5(3) 4_556 4_556
C1 Ag4' Ag1 115.6(7) . 4_556
C2 Ag4' Ag1 68.6(4) 4_556 4_556
Ag4' Ag4' Ag1 71.6(6) 4_556 4_556
Ag4 Ag4' Ag1 63.7(4) 4_556 4_556
Ag2 Ag4' Ag1 132.6(5) . 4_556
O9 Ag5 O10 159.5(3) . .
O9 Ag5 O6 109.7(3) . .
O10 Ag5 O6 90.3(3) . .
O9 Ag5 Ag5 80.96(19) . 6_557
O10 Ag5 Ag5 81.30(18) . 6_557
O6 Ag5 Ag5 135.61(17) . 6_557
O4 Ag6 O3 164.7(3) 5_566 .
O4 Ag6 O3W 105.9(3) 5_566 .
O3 Ag6 O3W 89.1(3) . .
O4 Ag6 Ag6 78.6(2) 5_566 5_566
O3 Ag6 Ag6 86.3(2) . 5_566
O3W Ag6 Ag6 174.68(18) . 5_566
C5 S1 C6 104.3(7) . .
C2 C1 Ag1 159.8(7) . .
C2 C1 Ag2 110.1(6) . .
Ag1 C1 Ag2 85.6(3) . .
C2 C1 Ag3 83.6(6) . .
Ag1 C1 Ag3 87.4(3) . .
Ag2 C1 Ag3 78.5(3) . .
C2 C1 Ag4' 88.0(7) . 4_556
Ag1 C1 Ag4' 86.0(5) . 4_556
Ag2 C1 Ag4' 143.8(7) . 4_556
Ag3 C1 Ag4' 136.1(7) . 4_556
C2 C1 Ag4' 99.1(7) . .
Ag1 C1 Ag4' 96.2(5) . .
Ag2 C1 Ag4' 79.3(5) . .
Ag3 C1 Ag4' 157.1(6) . .
Ag4' C1 Ag4' 66.8(9) 4_556 .
C2 C1 Ag4 111.6(7) . .
Ag1 C1 Ag4 84.3(3) . .
Ag2 C1 Ag4 74.8(2) . .
Ag3 C1 Ag4 152.5(4) . .
Ag4' C1 Ag4 69.4(6) 4_556 .
Ag4' C1 Ag4 12.5(3) . .
C2 C1 Ag4 99.6(6) . 4_556
Ag1 C1 Ag4 74.0(3) . 4_556
Ag2 C1 Ag4 138.8(4) . 4_556
Ag3 C1 Ag4 134.1(3) . 4_556
Ag4' C1 Ag4 12.1(3) 4_556 4_556
Ag4' C1 Ag4 68.2(5) . 4_556
Ag4 C1 Ag4 68.0(2) . 4_556
C1 C2 C3 175.5(10) . .
C1 C2 Ag3 68.2(6) . .
C3 C2 Ag3 116.2(6) . .
C1 C2 Ag4' 64.8(6) . 4_556
C3 C2 Ag4' 112.8(7) . 4_556
Ag3 C2 Ag4' 117.0(5) . 4_556
C6 C3 C4 111.5(11) . .
C6 C3 C2 125.3(11) . .
C4 C3 C2 123.2(11) . .
C3 C4 C5 115.3(13) . .
C4 C5 S1 102.2(8) . .
C3 C6 S1 106.7(11) . .
C7 O1 Ag3 122.2(6) . .
C7 O2 Ag2 115.5(6) . .
O2 C7 O1 128.3(9) . .
O2 C7 C8 116.9(10) . .
O1 C7 C8 114.7(10) . .
C9 C8 F12 106.9(12) . .
C9 C8 F11 103.1(13) . .
F12 C8 F11 97.3(14) . .
C9 C8 C7 126.7(13) . .
F12 C8 C7 109.9(10) . .
F11 C8 C7 108.9(11) . .
F15 C9 F13 112.5(14) . .
F15 C9 F14 112.0(13) . .
F13 C9 F14 112.5(16) . .
F15 C9 C8 116.0(18) . .
F13 C9 C8 99.1(16) . .
F14 C9 C8 103.9(15) . .
C10 O3 Ag6 118.3(7) . .
C10 O4 Ag6 128.1(8) . 5_566
O3 C10 O4 128.5(11) . .
O3 C10 C11 116.9(11) . .
O4 C10 C11 114.6(11) . .
F21 C11 F22 108.4(16) . .
F21 C11 C12 105.2(15) . .
F22 C11 C12 105.5(15) . .
F21 C11 C10 110.9(13) . .
F22 C11 C10 112.6(13) . .
C12 C11 C10 113.7(13) . .
F24 C12 F23 110.9(15) . .
F24 C12 F25 110.8(13) . .
F23 C12 F25 109.9(13) . .
F24 C12 C11 110.0(15) . .
F23 C12 C11 104.4(15) . .
F25 C12 C11 110.7(16) . .
C13 O5 Ag4' 134.1(10) . .
C13 O5 Ag4 128.2(8) . .
Ag4' O5 Ag4 13.3(5) . .
C13 O6 Ag2 117.0(6) . .
C13 O6 Ag5 142.1(6) . .
Ag2 O6 Ag5 100.2(3) . .
O5 C13 O6 129.8(10) . .
O5 C13 C14 117.1(12) . .
O6 C13 C14 113.0(11) . .
F32 C14 F31 92.1(13) . .
F32 C14 C15 115.0(15) . .
F31 C14 C15 105.7(16) . .
F32 C14 C13 109.4(16) . .
F31 C14 C13 109.4(14) . .
C15 C14 C13 121.1(14) . .
F35 C15 F34 112.7(15) . .
F35 C15 F33 114.8(16) . .
F34 C15 F33 110.4(14) . .
F35 C15 C14 107.2(18) . .
F34 C15 C14 114.2(16) . .
F33 C15 C14 96.5(18) . .
C16 O7 Ag1 114.2(6) . .
C16 O8 Ag4 129.9(7) . 4_556
O8 C16 O7 129.4(9) . .
O8 C16 C17 118.3(10) . .
O7 C16 C17 112.2(10) . .
F41 C17 F42 97.0(16) . .
F41 C17 C18 111.0(13) . .
F42 C17 C18 103.8(14) . .
F41 C17 C16 111.5(12) . .
F42 C17 C16 113.6(11) . .
C18 C17 C16 117.8(13) . .
F45 C18 F44 116.5(12) . .
F45 C18 F43 117.4(13) . .
F44 C18 F43 114.1(12) . .
F45 C18 C17 102.8(15) . .
F44 C18 C17 109.4(15) . .
F43 C18 C17 92.8(6) . .
C19 O9 Ag5 124.6(8) . .
O9 C19 O9 128.9(14) . 6_557
O9 C19 C20 115.2(7) . .
O9 C19 C20 115.2(7) 6_557 .
F51 C20 F51 72(6) . 6_557
F51 C20 C21 117(3) . .
F51 C20 C21 117(3) 6_557 .
F51 C20 C19 118(3) . .
F51 C20 C19 118(3) 6_557 .
C21 C20 C19 111(2) . .
F51 C20 F51' 129(4) . 6_557
F51 C20 F51' 63.0(19) 6_557 6_557
C21 C20 F51' 68(2) . 6_557
C19 C20 F51' 104.3(13) . 6_557
F51 C20 F51' 63.0(19) . .
F51 C20 F51' 129(4) 6_557 .
C21 C20 F51' 68(2) . .
C19 C20 F51' 104.3(13) . .
F51' C20 F51' 133(4) 6_557 .
F52 C21 F52 85(4) 6_557 .
F52 C21 F53 119(3) 6_557 .
F52 C21 F53 119(3) . .
F52 C21 C20 110(2) 6_557 .
F52 C21 C20 110(2) . .
F53 C21 C20 113(2) . .
F52 C21 F51' 145(2) 6_557 .
F52 C21 F51' 70(2) . .
F53 C21 F51' 94.5(14) . .
C20 C21 F51' 61(2) . .
F52 C21 F51' 70(2) 6_557 6_557
F52 C21 F51' 145(2) . 6_557
F53 C21 F51' 94.5(14) . 6_557
C20 C21 F51' 61(2) . 6_557
F51' C21 F51' 121(5) . 6_557
C20 F51 F51 54(3) . 6_557
C20 F51' C21 50.9(7) . .
C21 F52 F52 48(2) . 6_557
C22 O10 Ag5 124.1(8) . .
O10 C22 O10 129.0(15) 6_557 .
O10 C22 C23 115.1(8) 6_557 .
O10 C22 C23 115.1(8) . .
F61 C23 F61 107(2) 6_557 .
F61 C23 C24 106.8(14) 6_557 .
F61 C23 C24 106.8(14) . .
F61 C23 C22 111.0(11) 6_557 .
F61 C23 C22 111.0(11) . .
C24 C23 C22 114.1(18) . .
F63 C24 F63 101(3) 6_557 .
F63 C24 F62 126.8(17) 6_557 .
F63 C24 F62 126.8(17) . .
F63 C24 C23 98.3(10) 6_557 .
F63 C24 C23 98.3(10) . .
F62 C24 C23 97.3(16) . .
Ag6 O3W Ag3 117.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.103(9) .
Ag1 O7 2.183(7) .
Ag1 Ag4 2.864(3) 4_556
Ag1 Ag2 2.9614(11) .
Ag1 Ag4' 3.107(17) 4_556
Ag1 Ag3 3.1334(12) .
Ag1 Ag4 3.151(3) .
Ag2 C1 2.252(8) .
Ag2 O6 2.289(7) .
Ag2 O2 2.326(7) .
Ag2 O4W 2.458(7) .
Ag2 Ag4 2.938(3) .
Ag2 Ag3 2.9579(12) .
Ag2 Ag4' 3.018(19) .
Ag3 O2W 2.402(7) .
Ag3 C1 2.420(9) .
Ag3 O1 2.421(6) .
Ag3 O3W 2.553(7) .
Ag3 C2 2.591(9) .
Ag4 Ag4' 0.556(14) .
Ag4 O5 2.270(8) .
Ag4 O8 2.457(7) 4_556
Ag4 C1 2.567(9) .
Ag4 C1 2.609(9) 4_556
Ag4 Ag4' 2.85(2) 4_556
Ag4 Ag1 2.864(3) 4_556
Ag4 Ag4 2.893(5) 4_556
Ag4' O5 2.02(2) .
Ag4' C1 2.438(19) 4_556
Ag4' C1 2.47(2) .
Ag4' C2 2.694(19) 4_556
Ag4' Ag4' 2.70(4) 4_556
Ag4' Ag4 2.85(2) 4_556
Ag4' Ag1 3.107(17) 4_556
Ag5 O9 2.186(8) .
Ag5 O10 2.190(8) .
Ag5 O6 2.509(7) .
Ag5 Ag5 2.9088(16) 6_557
Ag6 O4 2.203(8) 5_566
Ag6 O3 2.216(8) .
Ag6 O3W 2.399(6) .
Ag6 Ag6 2.8047(17) 5_566
S1 C5 1.537(14) .
S1 C6 1.693(15) .
C1 C2 1.234(12) .
C1 Ag4' 2.438(19) 4_556
C1 Ag4 2.609(9) 4_556
C2 C3 1.417(13) .
C2 Ag4' 2.694(19) 4_556
C3 C6 1.369(17) .
C3 C4 1.396(17) .
C4 C5 1.531(16) .
O1 C7 1.268(11) .
O2 C7 1.212(11) .
C7 C8 1.510(16) .
C8 C9 1.36(3) .
C8 F12 1.384(14) .
C8 F11 1.453(15) .
C9 F15 1.321(13) .
C9 F13 1.336(15) .
C9 F14 1.337(14) .
O3 C10 1.226(14) .
O4 C10 1.249(13) .
O4 Ag6 2.203(8) 5_566
C10 C11 1.538(18) .
C11 F21 1.337(18) .
C11 F22 1.378(19) .
C11 C12 1.448(5) .
C12 F24 1.300(14) .
C12 F23 1.328(15) .
C12 F25 1.338(14) .
O5 C13 1.199(13) .
O6 C13 1.257(13) .
C13 C14 1.537(17) .
C14 F32 1.30(2) .
C14 F31 1.34(2) .
C14 C15 1.449(5) .
C15 F35 1.246(14) .
C15 F34 1.270(14) .
C15 F33 1.278(15) .
O7 C16 1.245(13) .
O8 C16 1.238(13) .
O8 Ag4 2.457(7) 4_556
C16 C17 1.54(2) .
C17 F41 1.363(16) .
C17 F42 1.403(14) .
C17 C18 1.447(5) .
C18 F45 1.264(13) .
C18 F44 1.300(13) .
C18 F43 1.312(13) .
O9 C19 1.231(9) .
C19 O9 1.231(9) 6_557
C19 C20 1.544(17) .
C20 F51 1.20(3) .
C20 F51 1.20(3) 6_557
C20 C21 1.501(5) .
C20 F51' 1.70(4) 6_557
C20 F51' 1.70(4) .
C21 F52 1.29(2) 6_557
C21 F52 1.29(2) .
C21 F53 1.30(2) .
C21 F51' 1.79(4) .
C21 F51' 1.79(4) 6_557
F51 F51 1.41(11) 6_557
F52 F52 1.74(7) 6_557
O10 C22 1.244(9) .
C22 O10 1.244(9) 6_557
C22 C23 1.62(3) .
C23 F61 1.367(18) 6_557
C23 F61 1.367(18) .
C23 C24 1.449(5) .
C24 F63 1.32(2) 6_557
C24 F63 1.32(2) .
C24 F62 1.33(2) .
