#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:35:22 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179587 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/52/4505212.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_4505212
loop_
_publ_author_name
'Awaleh, Mohamed Osman'
'Badia, Antonella'
'Brisse, François'
_publ_section_title
;
 Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal
 Structures, and Effect of the Counteranion and the Solvent on the
 Structure of Complexes [AgL1X]∞ of the Bis(Phenylthio)methane
 LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-,
 CF3CF2CF2COO-, and-OOCCF2CF2COO-
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1897
_journal_paper_doi               10.1021/cg050180u
_journal_volume                  5
_journal_year                    2005
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C28 H24 Ag2 F6 O6 S6'
_chemical_formula_sum            'C28 H24 Ag2 F6 O6 S6'
_chemical_formula_weight         978.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                109.48(2)
_cell_angle_beta                 109.36(2)
_cell_angle_gamma                100.79(2)
_cell_formula_units_Z            2
_cell_length_a                   12.526(2)
_cell_length_b                   12.905(2)
_cell_length_c                   13.186(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      20.00
_cell_volume                     1786.5(7)
_computing_cell_refinement       'CAD4 Program (Nonius 1989)'
_computing_data_collection       'CAD4 Program (Nonius 1989)'
_computing_data_reduction        'Local Program'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'UdMX (local program)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  Enraf-Nonius-CAD4
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26940
_diffrn_reflns_theta_full        69.97
_diffrn_reflns_theta_max         69.97
_diffrn_reflns_theta_min         3.86
_diffrn_standards_decay_%        -0.28
_diffrn_standards_interval_time  60
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    12.714
_exptl_absorpt_correction_T_max  0.2000
_exptl_absorpt_correction_T_min  0.0500
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'No absorption correction applied'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.389
_refine_diff_density_min         -0.855
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       0.00164(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         6777
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0985P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1364
_reflns_number_gt                5584
_reflns_number_total             6777
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cg050180usi20050425_041923.cif
_cod_data_source_block           Complex5
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (61
time).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (95 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4505212
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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 0.21115(3) 0.56261(3) 0.07809(3) 0.05723(14) Uani 1 1 d . . .
Ag2 Ag 0.50507(3) 0.89360(3) 0.65103(3) 0.05807(14) Uani 1 1 d . . .
S3 S 0.40157(10) 0.68158(9) 0.52624(10) 0.0466(2) Uani 1 1 d . . .
S4 S 0.33461(10) 0.55136(9) 0.26591(10) 0.0465(2) Uani 1 1 d . . .
S5 S 0.57867(10) 1.03681(9) 0.85865(11) 0.0509(3) Uani 1 1 d . . .
S7 S 0.63589(12) 0.93914(12) 0.47464(14) 0.0603(3) Uani 1 1 d . . .
O2 O 0.6644(4) 0.9475(4) 0.5930(4) 0.0721(10) Uani 1 1 d . . .
C41 C 0.2538(4) 0.4255(4) 0.2711(4) 0.0477(10) Uani 1 1 d . . .
C51 C 0.6915(5) 1.0055(4) 0.9559(5) 0.0556(11) Uani 1 1 d . . .
C31 C 0.2868(4) 0.6400(4) 0.5693(4) 0.0525(11) Uani 1 1 d . . .
C52 C 0.6949(7) 1.0242(5) 1.0663(6) 0.0753(17) Uani 1 1 d . . .
H52 H 0.6400 1.0544 1.0897 0.090 Uiso 1 1 calc R . .
C42 C 0.3181(5) 0.3742(4) 0.3326(5) 0.0549(11) Uani 1 1 d . . .
H42 H 0.4024 0.4042 0.3693 0.066 Uiso 1 1 calc R . .
C43 C 0.2581(6) 0.2778(5) 0.3405(6) 0.0679(15) Uani 1 1 d . . .
H43 H 0.3018 0.2437 0.3847 0.081 Uiso 1 1 calc R . .
C46 C 0.1282(5) 0.3802(4) 0.2140(5) 0.0566(11) Uani 1 1 d . . .
H46 H 0.0841 0.4155 0.1716 0.068 Uiso 1 1 calc R . .
O1 O 0.5290(4) 0.8463(5) 0.3870(5) 0.0966(15) Uani 1 1 d . . .
C36 C 0.2683(7) 0.5369(5) 0.5820(6) 0.0790(18) Uani 1 1 d . . .
H36 H 0.3160 0.4903 0.5683 0.095 Uiso 1 1 calc R . .
C47 C 0.3158(4) 0.6659(4) 0.3768(4) 0.0489(10) Uani 1 1 d . . .
H47A H 0.2305 0.6475 0.3601 0.059 Uiso 1 1 calc R . .
H47B H 0.3424 0.7399 0.3721 0.059 Uiso 1 1 calc R . .
C32 C 0.2195(5) 0.7103(5) 0.5939(5) 0.0652(13) Uani 1 1 d . . .
H32 H 0.2332 0.7808 0.5862 0.078 Uiso 1 1 calc R . .
C33 C 0.1327(6) 0.6772(8) 0.6295(7) 0.090(2) Uani 1 1 d . . .
H33 H 0.0870 0.7251 0.6460 0.109 Uiso 1 1 calc R . .
C45 C 0.0704(6) 0.2822(5) 0.2212(6) 0.0709(15) Uani 1 1 d . . .
H45 H -0.0139 0.2501 0.1828 0.085 Uiso 1 1 calc R . .
C56 C 0.7731(6) 0.9624(6) 0.9224(6) 0.0766(16) Uani 1 1 d . . .
H56 H 0.7727 0.9516 0.8482 0.092 Uiso 1 1 calc R . .
C44 C 0.1352(7) 0.2316(5) 0.2843(6) 0.0736(16) Uani 1 1 d . . .
H44 H 0.0952 0.1652 0.2889 0.088 Uiso 1 1 calc R . .
C34 C 0.1123(8) 0.5735(7) 0.6412(8) 0.102(3) Uani 1 1 d . . .
H34 H 0.0537 0.5513 0.6667 0.123 Uiso 1 1 calc R . .
C57 C 0.6637(4) 1.1637(4) 0.8545(4) 0.0487(10) Uani 1 1 d . . .
H57A H 0.6112 1.1796 0.7917 0.058 Uiso 1 1 calc R . .
H57B H 0.7290 1.1471 0.8342 0.058 Uiso 1 1 calc R . .
O3 O 0.6483(5) 1.0480(5) 0.4663(6) 0.0963(16) Uani 1 1 d . . .
F3 F 0.7467(6) 0.7899(5) 0.4334(6) 0.134(2) Uani 1 1 d . . .
F2 F 0.7423(6) 0.8892(7) 0.3365(6) 0.164(3) Uani 1 1 d . . .
F1 F 0.8568(4) 0.9618(7) 0.5179(7) 0.164(3) Uani 1 1 d . . .
C55 C 0.8554(8) 0.9353(7) 0.9997(9) 0.105(3) Uani 1 1 d . . .
H55 H 0.9105 0.9045 0.9771 0.126 Uiso 1 1 calc R . .
C1 C 0.7526(7) 0.8941(8) 0.4403(8) 0.085(2) Uani 1 1 d . . .
C53 C 0.7801(9) 0.9979(7) 1.1420(7) 0.106(3) Uani 1 1 d . . .
H53 H 0.7843 1.0116 1.2180 0.127 Uiso 1 1 calc R . .
C54 C 0.8582(9) 0.9521(7) 1.1067(9) 0.109(3) Uani 1 1 d . . .
H54 H 0.9144 0.9321 1.1577 0.131 Uiso 1 1 calc R . .
S6 S 0.72673(10) 1.29282(9) 0.99491(10) 0.0460(2) Uani 1 1 d . . .
C61 C 0.5941(4) 1.3073(4) 1.0121(4) 0.0507(10) Uani 1 1 d . . .
C66 C 0.5090(5) 1.3318(6) 0.9351(6) 0.0717(15) Uani 1 1 d . . .
H66 H 0.5205 1.3429 0.8721 0.086 Uiso 1 1 calc R . .
S8 S 0.00348(11) 0.31988(12) -0.13571(13) 0.0629(3) Uani 1 1 d . . .
O4 O 0.1212(4) 0.3601(4) -0.0503(5) 0.0948(16) Uani 1 1 d . A .
C62 C 0.5763(6) 1.2908(5) 1.1040(5) 0.0649(13) Uani 1 1 d . . .
H62 H 0.6340 1.2735 1.1564 0.078 Uiso 1 1 calc R . .
C64 C 0.3874(6) 1.3223(5) 1.0405(7) 0.0769(18) Uani 1 1 d . . .
H64 H 0.3164 1.3254 1.0492 0.092 Uiso 1 1 calc R . .
C65 C 0.4057(6) 1.3400(6) 0.9504(7) 0.0815(18) Uani 1 1 d . . .
H65 H 0.3482 1.3579 0.8983 0.098 Uiso 1 1 calc R . .
C63 C 0.4744(7) 1.2996(6) 1.1193(7) 0.0830(19) Uani 1 1 d . . .
H63 H 0.4636 1.2902 1.1834 0.100 Uiso 1 1 calc R . .
O5 O -0.0495(5) 0.4057(5) -0.1389(6) 0.119(2) Uani 1 1 d . . .
O6 O -0.0712(6) 0.2179(6) -0.1403(8) 0.144(3) Uani 1 1 d . A .
C2 C 0.043(3) 0.292(2) -0.257(3) 0.078(4) Uani 0.412(18) 1 d P A 1
F4 F 0.1332(15) 0.3835(17) -0.233(2) 0.125(7) Uani 0.412(18) 1 d P A 1
F5 F 0.077(2) 0.206(3) -0.284(2) 0.120(10) Uani 0.412(18) 1 d P A 1
F6 F -0.0449(17) 0.268(2) -0.3571(13) 0.106(5) Uani 0.412(18) 1 d P A 1
C2A C 0.0009(18) 0.2437(14) -0.2861(16) 0.078(4) Uani 0.59 1 d P A 2
F4A F 0.052(3) 0.325(2) -0.304(2) 0.256(13) Uani 0.588(18) 1 d P A 2
F5A F 0.048(2) 0.170(2) -0.2866(17) 0.140(8) Uani 0.588(18) 1 d P A 2
F6A F -0.1119(15) 0.1993(14) -0.3635(9) 0.147(7) Uani 0.588(18) 1 d P A 2
C35 C 0.1786(9) 0.5034(6) 0.6150(8) 0.115(3) Uani 1 1 d . . .
H35 H 0.1626 0.4314 0.6197 0.138 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O4 AG1 O5 . 2_565 99.4(2) y
O4 AG1 S6 . 2_676 121.21(16) y
O5 AG1 S6 2_565 2_676 110.62(15) y
O4 AG1 S4 . . 99.25(14) y
O5 AG1 S4 2_565 . 93.95(15) y
S6 AG1 S4 2_676 . 126.36(4) y
O2 AG2 O3 . 2_676 100.37(15) y
O2 AG2 S5 . . 104.73(12) y
O3 AG2 S5 2_676 . 105.33(15) y
O2 AG2 S3 . . 105.39(11) y
O3 AG2 S3 2_676 . 95.09(14) y
S5 AG2 S3 . . 139.56(5) y
C31 S3 C47 . . 102.1(2) y
C31 S3 AG2 . . 106.08(16) y
C47 S3 AG2 . . 106.04(15) y
C41 S4 C47 . . 100.7(2) y
C41 S4 AG1 . . 108.51(17) y
C47 S4 AG1 . . 101.38(15) y
C51 S5 C57 . . 102.8(2) y
C51 S5 AG2 . . 110.72(17) y
C57 S5 AG2 . . 100.28(16) y
O1 S7 O3 . . 115.4(3) y
O1 S7 O2 . . 113.3(3) y
O3 S7 O2 . . 114.6(3) y
O1 S7 C1 . . 103.6(4) y
O3 S7 C1 . . 104.3(3) y
O2 S7 C1 . . 103.8(3) y
S7 O2 AG2 . . 120.4(2) y
C42 C41 C46 . . 120.8(5) y
C42 C41 S4 . . 118.0(4) y
C46 C41 S4 . . 121.2(4) y
C56 C51 C52 . . 120.2(6) y
C56 C51 S5 . . 121.5(5) y
C52 C51 S5 . . 118.3(5) y
C32 C31 C36 . . 120.3(5) y
C32 C31 S3 . . 121.3(4) y
C36 C31 S3 . . 118.4(5) y
C51 C52 C53 . . 119.1(7) y
C51 C52 H52 . . 120.4 ?
C53 C52 H52 . . 120.4 ?
C41 C42 C43 . . 119.5(5) y
C41 C42 H42 . . 120.2 ?
C43 C42 H42 . . 120.2 ?
C44 C43 C42 . . 120.4(5) y
C44 C43 H43 . . 119.8 ?
C42 C43 H43 . . 119.8 ?
C45 C46 C41 . . 118.6(5) y
C45 C46 H46 . . 120.7 ?
C41 C46 H46 . . 120.7 ?
C35 C36 C31 . . 118.9(7) y
C35 C36 H36 . . 120.6 ?
C31 C36 H36 . . 120.6 ?
S4 C47 S3 . . 111.3(2) y
S4 C47 H47A . . 109.4 ?
S3 C47 H47A . . 109.4 ?
S4 C47 H47B . . 109.4 ?
S3 C47 H47B . . 109.4 ?
H47A C47 H47B . . 108 ?
C33 C32 C31 . . 120.1(6) y
C33 C32 H32 . . 119.9 ?
C31 C32 H32 . . 119.9 ?
C32 C33 C34 . . 120.2(8) y
C32 C33 H33 . . 119.9 ?
C34 C33 H33 . . 119.9 ?
C44 C45 C46 . . 120.5(6) y
C44 C45 H45 . . 119.8 ?
C46 C45 H45 . . 119.8 ?
C55 C56 C51 . . 118.8(7) y
C55 C56 H56 . . 120.6 ?
C51 C56 H56 . . 120.6 ?
C43 C44 C45 . . 120.2(5) y
C43 C44 H44 . . 119.9 ?
C45 C44 H44 . . 119.9 ?
C35 C34 C33 . . 119.3(7) y
C35 C34 H34 . . 120.3 ?
C33 C34 H34 . . 120.3 ?
S5 C57 S6 . . 112.8(3) y
S5 C57 H57A . . 109 ?
S6 C57 H57A . . 109 ?
S5 C57 H57B . . 109 ?
S6 C57 H57B . . 109 ?
H57A C57 H57B . . 107.8 ?
S7 O3 AG2 . 2_676 128.4(3) y
C54 C55 C56 . . 121.1(8) y
C54 C55 H55 . . 119.4 ?
C56 C55 H55 . . 119.4 ?
F1 C1 F3 . . 106.7(7) y
F1 C1 F2 . . 108.7(7) y
F3 C1 F2 . . 105.9(8) y
F1 C1 S7 . . 112.4(6) y
F3 C1 S7 . . 112.1(5) y
F2 C1 S7 . . 110.8(5) y
C54 C53 C52 . . 120.2(8) y
C54 C53 H53 . . 119.9 ?
C52 C53 H53 . . 119.9 ?
C55 C54 C53 . . 120.4(8) y
C55 C54 H54 . . 119.8 ?
C53 C54 H54 . . 119.8 ?
C61 S6 C57 . . 101.2(2) y
C61 S6 AG1 . 2_676 106.77(17) y
C57 S6 AG1 . 2_676 97.36(15) y
C66 C61 C62 . . 119.6(5) y
C66 C61 S6 . . 121.9(4) y
C62 C61 S6 . . 118.5(4) y
C61 C66 C65 . . 120.0(6) y
C61 C66 H66 . . 120 ?
C65 C66 H66 . . 120 ?
O4 S8 O5 . . 115.3(3) y
O4 S8 O6 . . 113.4(4) y
O5 S8 O6 . . 114.3(4) y
O4 S8 C2 . . 94.5(1) y
O5 S8 C2 . . 103.30(11) y
O6 S8 C2 . . 113.9(9) y
O4 S8 C2A . . 108.3(7) y
O5 S8 C2A . . 108.1(7) y
O6 S8 C2A . . 95.1(6) y
S8 O4 AG1 . . 118.4(3) y
C63 C62 C61 . . 120.3(6) y
C63 C62 H62 . . 119.9 ?
C61 C62 H62 . . 119.9 ?
C65 C64 C63 . . 119.5(6) y
C65 C64 H64 . . 120.2 ?
C63 C64 H64 . . 120.2 ?
C64 C65 C66 . . 120.3(6) y
C64 C65 H65 . . 119.8 ?
C66 C65 H65 . . 119.8 ?
C62 C63 C64 . . 120.2(7) y
C62 C63 H63 . . 119.9 ?
C64 C63 H63 . . 119.9 ?
S8 O5 AG1 . 2_565 127.4(4) y
F6 C2 F5 . . 102(2) y
F6 C2 F4 . . 108(3) y
F5 C2 F4 . . 106(3) y
F6 C2 S8 . . 114(2) y
F5 C2 S8 . . 116(2) y
F4 C2 S8 . . 110.30(16) y
F5A C2A F4A . . 115(2) y
F5A C2A F6A . . 112.20(16) y
F4A C2A F6A . . 108(2) y
F5A C2A S8 . . 110.30(16) y
F4A C2A S8 . . 104.20(14) y
F6A C2A S8 . . 106.90(15) y
C34 C35 C36 . . 121.1(7) y
C34 C35 H35 . . 119.4 ?
C36 C35 H35 . . 119.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 O4 . 2.377(4) y
Ag1 O5 2_565 2.466(6) y
Ag1 S6 2_676 2.4826(12) y
Ag1 S4 . 2.5160(13) y
Ag2 O2 . 2.429(4) y
Ag2 O3 2_676 2.450(4) y
Ag2 S5 . 2.4646(15) y
Ag2 S3 . 2.4758(14) y
S3 C31 . 1.770(5) y
S3 C47 . 1.825(5) y
S4 C41 . 1.781(5) y
S4 C47 . 1.815(5) y
S5 C51 . 1.779(6) y
S5 C57 . 1.807(5) y
S7 O1 . 1.419(5) y
S7 O3 . 1.429(4) y
S7 O2 . 1.441(4) y
S7 C1 . 1.806(7) y
C41 C42 . 1.368(6) y
C41 C46 . 1.400(7) y
C51 C56 . 1.377(8) y
C51 C52 . 1.379(8) y
C31 C32 . 1.381(8) y
C31 C36 . 1.383(7) y
C52 C53 . 1.380(11) y
C52 H52 . 0.94 ?
C42 C43 . 1.382(7) y
C42 H42 . 0.94 ?
C43 C44 . 1.370(9) y
C43 H43 . 0.94 ?
C46 C45 . 1.384(7) y
C46 H46 . 0.94 ?
C36 C35 . 1.381(10) y
C36 H36 . 0.94 ?
C47 H47a . 0.98 ?
C47 H47b . 0.98 ?
C32 C33 . 1.372(9) y
C32 H32 . 0.94 ?
C33 C34 . 1.383(11) y
C33 H33 . 0.94 ?
C45 C44 . 1.375(9) y
C45 H45 . 0.94 ?
C56 C55 . 1.378(10) y
C56 H56 . 0.94 ?
C44 H44 . 0.94 ?
C34 C35 . 1.375(12) y
C34 H34 . 0.94 ?
C57 S6 . 1.819(5) y
C57 H57a . 0.98 ?
C57 H57b . 0.98 ?
O3 Ag2 2_676 2.450(4) y
F3 C1 . 1.303(9) y
F2 C1 . 1.310(9) y
F1 C1 . 1.267(10) y
C55 C54 . 1.341(13) y
C55 H55 . 0.94 ?
C53 C54 . 1.362(13) y
C53 H53 . 0.94 ?
C54 H54 . 0.94 ?
S6 C61 . 1.785(5) y
S6 Ag1 2_676 2.4826(12) y
C61 C66 . 1.374(7) y
C61 C62 . 1.377(7) y
C66 C65 . 1.391(8) y
C66 H66 . 0.94 ?
S8 O4 . 1.391(4) y
S8 O5 . 1.398(5) y
S8 O6 . 1.435(6) y
S8 C2 . 1.77(3) y
S8 C2a . 1.883(19) y
C62 C63 . 1.376(8) y
C62 H62 . 0.94 ?
C64 C65 . 1.363(10) y
C64 C63 . 1.387(10) y
C64 H64 . 0.94 ?
C65 H65 . 0.94 ?
C63 H63 . 0.94 ?
O5 Ag1 2_565 2.466(6) y
C2 F6 . 1.30(3) y
C2 F5 . 1.25(4) y
C2 F4 . 1.34(3) y
C2a F5a . 1.20(3) y
C2a F4a . 1.25(2) y
C2a F6a . 1.31(2) y
C35 H35 . 0.94 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O2 AG2 S3 C31 . . 178.9(2)
O3 AG2 S3 C31 2_676 . -78.9(2)
S5 AG2 S3 C31 . . 42.05(19)
O2 AG2 S3 C47 . . -73.0(2)
O3 AG2 S3 C47 2_676 . 29.2(2)
S5 AG2 S3 C47 . . 150.15(18)
O4 AG1 S4 C41 . . -34.9(2)
O5 AG1 S4 C41 2_565 . 65.3(2)
S6 AG1 S4 C41 2_676 . -175.45(15)
O4 AG1 S4 C47 . . -140.4(2)
O5 AG1 S4 C47 2_565 . -40.2(2)
S6 AG1 S4 C47 2_676 . 79.09(17)
O2 AG2 S5 C51 . . -74.8(2)
O3 AG2 S5 C51 2_676 . 179.8(2)
S3 AG2 S5 C51 . . 62.21(19)
O2 AG2 S5 C57 . . 33.3(2)
O3 AG2 S5 C57 2_676 . -72.1(2)
S3 AG2 S5 C57 . . 170.28(17)
O1 S7 O2 AG2 . . -32.7(4)
O3 S7 O2 AG2 . . 102.6(3)
C1 S7 O2 AG2 . . -144.3(3)
O3 AG2 O2 S7 2_676 . -33.1(3)
S5 AG2 O2 S7 . . -142.1(3)
S3 AG2 O2 S7 . . 65.2(3)
C47 S4 C41 C42 . . -101.3(4)
AG1 S4 C41 C42 . . 152.7(3)
C47 S4 C41 C46 . . 78.7(4)
AG1 S4 C41 C46 . . -27.2(4)
C57 S5 C51 C56 . . -70.4(5)
AG2 S5 C51 C56 . . 35.9(5)
C57 S5 C51 C52 . . 110.3(4)
AG2 S5 C51 C52 . . -143.3(4)
C47 S3 C31 C32 . . -70.8(5)
AG2 S3 C31 C32 . . 40.0(5)
C47 S3 C31 C36 . . 111.4(5)
AG2 S3 C31 C36 . . -137.8(4)
C56 C51 C52 C53 . . -0.7(9)
S5 C51 C52 C53 . . 178.5(5)
C46 C41 C42 C43 . . -1.4(7)
S4 C41 C42 C43 . . 178.7(4)
C41 C42 C43 C44 . . 1.9(8)
C42 C41 C46 C45 . . 0.1(7)
S4 C41 C46 C45 . . -179.9(4)
C32 C31 C36 C35 . . 2.5(9)
S3 C31 C36 C35 . . -179.7(6)
C41 S4 C47 S3 . . 70.3(3)
AG1 S4 C47 S3 . . -178.1(2)
C31 S3 C47 S4 . . -114.8(3)
AG2 S3 C47 S4 . . 134.3(2)
C36 C31 C32 C33 . . -0.9(9)
S3 C31 C32 C33 . . -178.7(5)
C31 C32 C33 C34 . . 0.1(11)
C41 C46 C45 C44 . . 0.6(9)
C52 C51 C56 C55 . . 1.8(9)
S5 C51 C56 C55 . . -177.4(6)
C42 C43 C44 C45 . . -1.2(9)
C46 C45 C44 C43 . . -0.2(11)
C32 C33 C34 C35 . . -1.0(13)
C51 S5 C57 S6 . . -68.9(3)
AG2 S5 C57 S6 . . 176.9(2)
O1 S7 O3 AG2 . 2_676 13.8(6)
O2 S7 O3 AG2 . 2_676 -120.5(4)
C1 S7 O3 AG2 . 2_676 126.7(4)
C51 C56 C55 C54 . . -1.1(14)
O1 S7 C1 F1 . . -173.2(6)
O3 S7 C1 F1 . . 65.7(7)
O2 S7 C1 F1 . . -54.6(7)
O1 S7 C1 F3 . . -53.0(7)
O3 S7 C1 F3 . . -174.1(6)
O2 S7 C1 F3 . . 65.5(7)
O1 S7 C1 F2 . . 65.1(7)
O3 S7 C1 F2 . . -56.0(8)
O2 S7 C1 F2 . . -176.4(7)
C51 C52 C53 C54 . . -1.2(13)
C56 C55 C54 C53 . . -0.8(16)
C52 C53 C54 C55 . . 1.9(15)
S5 C57 S6 C61 . . -59.6(3)
S5 C57 S6 AG1 . 2_676 -168.4(2)
C57 S6 C61 C66 . . -65.1(5)
AG1 S6 C61 C66 2_676 . 36.2(5)
C57 S6 C61 C62 . . 113.5(4)
AG1 S6 C61 C62 2_676 . -145.2(4)
C62 C61 C66 C65 . . 0.2(9)
S6 C61 C66 C65 . . 178.7(5)
O5 S8 O4 AG1 . . 1.6(6)
O6 S8 O4 AG1 . . -132.9(4)
C2 S8 O4 AG1 . . 108.7(9)
C2A S8 O4 AG1 . . 122.9(6)
O5 AG1 O4 S8 2_565 . 48.2(4)
S6 AG1 O4 S8 2_676 . -72.9(4)
S4 AG1 O4 S8 . . 143.9(4)
C66 C61 C62 C63 . . -0.5(9)
S6 C61 C62 C63 . . -179.1(5)
C63 C64 C65 C66 . . 2.1(12)
C61 C66 C65 C64 . . -0.9(12)
C61 C62 C63 C64 . . 1.6(11)
C65 C64 C63 C62 . . -2.4(12)
O4 S8 O5 AG1 . 2_565 -109.6(5)
O6 S8 O5 AG1 . 2_565 24.6(6)
C2 S8 O5 AG1 . 2_565 148.8(9)
C2A S8 O5 AG1 . 2_565 129.1(7)
O4 S8 C2 F6 . . -169.90(19)
O5 S8 C2 F6 . . -52(2)
O6 S8 C2 F6 . . 72(2)
C2A S8 C2 F6 . . 54(4)
O4 S8 C2 F5 . . 73(2)
O5 S8 C2 F5 . . -170(2)
O6 S8 C2 F5 . . -46(3)
C2A S8 C2 F5 . . -63(4)
O4 S8 C2 F4 . . -48(2)
O5 S8 C2 F4 . . 70(2)
O6 S8 C2 F4 . . -165.90(16)
C2A S8 C2 F4 . . 176(6)
O4 S8 C2A F5A . . 53.10(18)
O5 S8 C2A F5A . . 178.70(16)
O6 S8 C2A F5A . . -63.60(17)
C2 S8 C2A F5A . . 100(5)
O4 S8 C2A F4A . . -71(2)
O5 S8 C2A F4A . . 55(2)
O6 S8 C2A F4A . . 172(2)
C2 S8 C2A F4A . . -24(4)
O4 S8 C2A F6A . . 175.30(12)
O5 S8 C2A F6A . . -59.10(14)
O6 S8 C2A F6A . . 58.60(14)
C2 S8 C2A F6A . . -138(6)
C33 C34 C35 C36 . . 2.7(14)
C31 C36 C35 C34 . . -3.4(12)
