#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:56:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179136 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/98/4309833.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_4309833
loop_
_publ_author_name
'Mohamed Osman Awaleh'
'Antonella Badia'
'François Brisse'
_publ_contact_author_address
;
      Université de Montréal
      Département de Chimie
      C.P. 6128, Succ. Centre-ville
      Montréal, Québec
      Canada, H3C 3J7
;
_publ_contact_author_email       francois.brisse@umontreal.ca
_publ_contact_author_fax         '+1 514 343 7586'
_publ_contact_author_name        'Dr François Brisse'
_publ_contact_author_phone       '+1 514 343 2088'
_publ_section_title
;
Coordination Networks with Flexible Ligands Based on Silver(I) Salts:
Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-,
CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7833
_journal_page_last               7845
_journal_paper_doi               10.1021/ic050617n
_journal_volume                  44
_journal_year                    2005
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C17 H16 Ag2 F6 O6 S4'
_chemical_formula_sum            'C17 H16 Ag2 F6 O6 S4'
_chemical_formula_weight         774.28
_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                 90.7567(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.14160(10)
_cell_length_b                   23.6395(2)
_cell_length_c                   12.39210(10)
_cell_measurement_reflns_used    6234
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.74
_cell_measurement_theta_min      3.57
_cell_volume                     2384.82(4)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_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      100(2)
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker Smart 2000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray Sealed Tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_av_sigmaI/netI    0.0386
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28783
_diffrn_reflns_theta_full        72.75
_diffrn_reflns_theta_max         72.75
_diffrn_reflns_theta_min         3.74
_diffrn_standards_decay_%        -0.03
_diffrn_standards_number         233
_exptl_absorpt_coefficient_mu    17.214
_exptl_absorpt_correction_T_max  0.212
_exptl_absorpt_correction_T_min  0.104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick,1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.298
_refine_diff_density_min         -2.520
_refine_diff_density_rms         0.311
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4636
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0476
_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)+(0.1070P)²+7.0658P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1298
_refine_ls_wR_factor_ref         0.1516
_reflns_number_gt                4496
_reflns_number_total             4636
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic050617nsi20050421_105355.cif
_cod_data_source_block           Complex9
_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 2.4.1 from
2010-06-29.

'_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 (71
time).

'_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 (44 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4309833
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 1.02520(5) 0.213602(13) 0.32049(3) 0.01370(15) Uani 1 1 d . . .
Ag2 Ag 0.52600(4) 0.190714(13) 0.47397(3) 0.01107(15) Uani 1 1 d . . .
S1 S 0.72093(15) 0.18826(4) 0.31436(9) 0.0083(2) Uani 1 1 d . . .
S2 S 0.72175(14) 0.33022(4) -0.04119(9) 0.0087(2) Uani 1 1 d . . .
S3 S 1.21853(15) 0.19662(5) 0.06662(9) 0.0107(3) Uani 1 1 d . . .
S4 S 0.59218(15) 0.14785(4) 0.72773(9) 0.0106(3) Uani 1 1 d . . .
F1 F 1.1467(5) 0.08868(13) 0.0540(3) 0.0316(9) Uani 1 1 d . . .
F2 F 1.3991(4) 0.10837(14) 0.0222(3) 0.0240(7) Uani 1 1 d . . .
F3 F 1.2118(5) 0.12716(14) -0.0970(3) 0.0266(7) Uani 1 1 d . . .
F4 F 0.8824(5) 0.1126(2) 0.7946(4) 0.0427(11) Uani 1 1 d . . .
F5 F 0.7068(6) 0.1286(2) 0.9214(3) 0.0433(11) Uani 1 1 d . . .
F6 F 0.8240(5) 0.19741(17) 0.8416(3) 0.0326(9) Uani 1 1 d . . .
O1 O 1.2349(5) 0.18737(16) 0.1819(3) 0.0174(8) Uani 1 1 d . . .
O2 O 1.3473(5) 0.22961(15) 0.0181(3) 0.0172(8) Uani 1 1 d . . .
O3 O 1.0514(5) 0.21179(14) 0.0320(3) 0.0158(8) Uani 1 1 d . . .
O4 O 0.6770(5) 0.16235(17) 0.6287(3) 0.0221(8) Uani 1 1 d . . .
O5 O 0.4859(5) 0.19227(14) 0.7677(3) 0.0192(8) Uani 1 1 d . . .
O6 O 0.5194(5) 0.09248(15) 0.7290(3) 0.0224(9) Uani 1 1 d . . .
C1 C 1.2472(7) 0.1263(2) 0.0081(4) 0.0165(10) Uani 1 1 d . . .
C2 C 0.7588(7) 0.1455(2) 0.8274(4) 0.0168(10) Uani 1 1 d . . .
C11 C 0.6816(6) 0.12431(19) 0.2420(4) 0.0103(9) Uani 1 1 d . . .
C12 C 0.7877(6) 0.1065(2) 0.1617(4) 0.0138(10) Uani 1 1 d . . .
H12 H 0.8746 0.1303 0.1388 0.017 Uiso 1 1 calc R . .
C13 C 0.7651(7) 0.0539(2) 0.1155(4) 0.0161(10) Uani 1 1 d . . .
H13 H 0.8368 0.0416 0.0603 0.019 Uiso 1 1 calc R . .
C14 C 0.6388(7) 0.0185(2) 0.1485(4) 0.0170(10) Uani 1 1 d . . .
H14 H 0.6267 -0.0181 0.1177 0.020 Uiso 1 1 calc R . .
C15 C 0.5301(7) 0.0369(2) 0.2272(5) 0.0164(10) Uani 1 1 d . . .
H15 H 0.4410 0.0135 0.2479 0.020 Uiso 1 1 calc R . .
C16 C 0.5524(7) 0.0894(2) 0.2749(4) 0.0170(11) Uani 1 1 d . . .
H16 H 0.4803 0.1017 0.3299 0.020 Uiso 1 1 calc R . .
C17 C 0.6191(6) 0.2447(2) 0.2374(4) 0.0112(9) Uani 1 1 d . . .
H17A H 0.5017 0.2348 0.2281 0.013 Uiso 1 1 calc R . .
H17B H 0.6248 0.2800 0.2802 0.013 Uiso 1 1 calc R . .
C18 C 0.6909(6) 0.25617(18) 0.1262(4) 0.0108(9) Uani 1 1 d . . .
H18A H 0.8122 0.2534 0.1296 0.013 Uiso 1 1 calc R . .
H18B H 0.6493 0.2280 0.0735 0.013 Uiso 1 1 calc R . .
C19 C 0.6394(7) 0.31553(19) 0.0916(4) 0.0120(9) Uani 1 1 d . . .
H19A H 0.6816 0.3436 0.1444 0.014 Uiso 1 1 calc R . .
H19B H 0.5180 0.3183 0.0892 0.014 Uiso 1 1 calc R . .
C21 C 0.6964(6) 0.40520(19) -0.0554(4) 0.0086(9) Uani 1 1 d . . .
C22 C 0.6028(7) 0.4260(2) -0.1403(4) 0.0155(10) Uani 1 1 d . . .
H22 H 0.5487 0.4006 -0.1885 0.019 Uiso 1 1 calc R . .
C23 C 0.5878(8) 0.4841(2) -0.1553(5) 0.0201(11) Uani 1 1 d . . .
H23 H 0.5218 0.4986 -0.2128 0.024 Uiso 1 1 calc R . .
C24 C 0.6703(7) 0.5210(2) -0.0856(5) 0.0202(11) Uani 1 1 d . . .
H24 H 0.6633 0.5607 -0.0968 0.024 Uiso 1 1 calc R . .
C25 C 0.7618(7) 0.5000(2) -0.0004(5) 0.0196(11) Uani 1 1 d . . .
H25 H 0.8141 0.5256 0.0483 0.023 Uiso 1 1 calc R . .
C26 C 0.7788(7) 0.4418(2) 0.0156(4) 0.0162(10) Uani 1 1 d . . .
H26 H 0.8447 0.4274 0.0731 0.019 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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O5 AG1 O1 4_665 . . 97.77(14) y
O5 AG1 S1 4_665 . . 94.93(11) y
O1 AG1 S1 . . . 126.15(9) y
O5 AG1 S2 4_665 . 4_666 131.04(11) y
O1 AG1 S2 . . 4_666 86.17(9) y
S1 AG1 S2 . . 4_666 121.72(4) y
O4 AG2 O3 . . 4_566 89.30(13) y
O4 AG2 S2 . . 4_566 120.23(11) y
O3 AG2 S2 4_566 . 4_566 106.72(10) y
O4 AG2 S1 . . . 107.47(10) y
O3 AG2 S1 4_566 . . 101.54(10) y
S2 AG2 S1 4_566 . . 123.78(4) y
C11 S1 C17 . . . 106.2(2) y
C11 S1 AG1 . . . 112.46(17) y
C17 S1 AG1 . . . 106.10(16) y
C11 S1 AG2 . . . 107.41(17) y
C17 S1 AG2 . . . 96.04(16) y
AG1 S1 AG2 . . . 125.84(5) y
C21 S2 C19 . . . 103.6(2) y
C21 S2 AG2 . . 4_665 108.19(16) y
C19 S2 AG2 . . 4_665 105.53(18) y
C21 S2 AG1 . . 4_565 105.36(16) y
C19 S2 AG1 . . 4_565 107.17(18) y
AG2 S2 AG1 4_665 . 4_565 125.14(4) y
O2 S3 O1 . . . 115.7(2) y
O2 S3 O3 . . . 115.0(2) y
O1 S3 O3 . . . 113.5(2) y
O2 S3 C1 . . . 103.2(2) y
O1 S3 C1 . . . 104.1(2) y
O3 S3 C1 . . . 103.2(2) y
O6 S4 O5 . . . 114.0(2) y
O6 S4 O4 . . . 115.0(2) y
O5 S4 O4 . . . 114.1(2) y
O6 S4 C2 . . . 105.5(2) y
O5 S4 C2 . . . 103.5(2) y
O4 S4 C2 . . . 102.8(2) y
S3 O1 AG1 . . . 125.6(2) y
S3 O3 AG2 . . 4_665 113.3(2) y
S4 O4 AG2 . . . 120.2(2) y
S4 O5 AG1 . . 4_566 134.7(2) y
F2 C1 F3 . . . 109.0(4) y
F2 C1 F1 . . . 107.9(4) y
F3 C1 F1 . . . 107.4(5) y
F2 C1 S3 . . . 111.4(4) y
F3 C1 S3 . . . 110.3(4) y
F1 C1 S3 . . . 110.7(4) y
F5 C2 F4 . . . 110.3(5) y
F5 C2 F6 . . . 107.0(5) y
F4 C2 F6 . . . 105.8(5) y
F5 C2 S4 . . . 111.5(4) y
F4 C2 S4 . . . 111.6(4) y
F6 C2 S4 . . . 110.4(4) y
C12 C11 C16 . . . 120.3(4) y
C12 C11 S1 . . . 120.5(4) y
C16 C11 S1 . . . 118.9(4) y
C13 C12 C11 . . . 119.2(5) y
C13 C12 H12 . . . 120.4 ?
C11 C12 H12 . . . 120.4 ?
C12 C13 C14 . . . 121.0(5) y
C12 C13 H13 . . . 119.5 ?
C14 C13 H13 . . . 119.5 ?
C13 C14 C15 . . . 119.8(5) y
C13 C14 H14 . . . 120.1 ?
C15 C14 H14 . . . 120.1 ?
C16 C15 C14 . . . 119.8(5) y
C16 C15 H15 . . . 120.1 ?
C14 C15 H15 . . . 120.1 ?
C15 C16 C11 . . . 119.8(5) y
C15 C16 H16 . . . 120.1 ?
C11 C16 H16 . . . 120.1 ?
C18 C17 S1 . . . 115.0(3) y
C18 C17 H17A . . . 108.5 ?
S1 C17 H17A . . . 108.5 ?
C18 C17 H17B . . . 108.5 ?
S1 C17 H17B . . . 108.5 ?
H17A C17 H17B . . . 107.5 ?
C19 C18 C17 . . . 108.0(4) y
C19 C18 H18A . . . 110.1 ?
C17 C18 H18A . . . 110.1 ?
C19 C18 H18B . . . 110.1 ?
C17 C18 H18B . . . 110.1 ?
H18A C18 H18B . . . 108.4 ?
C18 C19 S2 . . . 109.1(3) y
C18 C19 H19A . . . 109.9 ?
S2 C19 H19A . . . 109.9 ?
C18 C19 H19B . . . 109.9 ?
S2 C19 H19B . . . 109.9 ?
H19A C19 H19B . . . 108.3 ?
C22 C21 C26 . . . 120.9(4) y
C22 C21 S2 . . . 119.2(4) y
C26 C21 S2 . . . 119.7(4) y
C21 C22 C23 . . . 120.0(5) y
C21 C22 H22 . . . 120 ?
C23 C22 H22 . . . 120 ?
C22 C23 C24 . . . 119.6(5) y
C22 C23 H23 . . . 120.2 ?
C24 C23 H23 . . . 120.2 ?
C25 C24 C23 . . . 120.2(5) y
C25 C24 H24 . . . 119.9 ?
C23 C24 H24 . . . 119.9 ?
C24 C25 C26 . . . 121.0(5) y
C24 C25 H25 . . . 119.5 ?
C26 C25 H25 . . . 119.5 ?
C25 C26 C21 . . . 118.3(5) y
C25 C26 H26 . . . 120.8 ?
C21 C26 H26 . . . 120.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 O5 . 4_665 2.340(3) y
Ag1 O1 . . 2.515(4) y
Ag1 S1 . . 2.5488(12) y
Ag1 S2 . 4_666 2.5494(11) y
Ag2 O4 . . 2.361(4) y
Ag2 O3 . 4_566 2.422(3) y
Ag2 S2 . 4_566 2.5305(12) y
Ag2 S1 . . 2.5528(12) y
S1 C11 . . 1.784(5) y
S1 C17 . . 1.832(5) y
S2 C21 . . 1.793(5) y
S2 C19 . . 1.819(5) y
S2 Ag2 . 4_665 2.5305(12) y
S2 Ag1 . 4_565 2.5494(11) y
S3 O2 . . 1.444(4) y
S3 O1 . . 1.450(4) y
S3 O3 . . 1.466(4) y
S3 C1 . . 1.829(5) y
S4 O6 . . 1.437(4) y
S4 O5 . . 1.452(4) y
S4 O4 . . 1.457(4) y
S4 C2 . . 1.823(5) y
F1 C1 . . 1.340(6) y
F2 C1 . . 1.317(6) y
F3 C1 . . 1.331(6) y
F4 C2 . . 1.339(7) y
F5 C2 . . 1.308(7) y
F6 C2 . . 1.348(7) y
O3 Ag2 . 4_665 2.422(3) y
O5 Ag1 . 4_566 2.340(3) y
C11 C12 . . 1.392(7) y
C11 C16 . . 1.402(7) y
C12 C13 . . 1.381(7) y
C12 H12 . . 0.95 ?
C13 C14 . . 1.391(8) y
C13 H13 . . 0.95 ?
C14 C15 . . 1.395(8) y
C14 H14 . . 0.95 ?
C15 C16 . . 1.386(7) y
C15 H15 . . 0.95 ?
C16 H16 . . 0.95 ?
C17 C18 . . 1.528(6) y
C17 H17a . . 0.99 ?
C17 H17b . . 0.99 ?
C18 C19 . . 1.525(6) y
C18 H18a . . 0.99 ?
C18 H18b . . 0.99 ?
C19 H19a . . 0.99 ?
C19 H19b . . 0.99 ?
C21 C22 . . 1.381(7) y
C21 C26 . . 1.399(7) y
C22 C23 . . 1.392(7) y
C22 H22 . . 0.95 ?
C23 C24 . . 1.393(8) y
C23 H23 . . 0.95 ?
C24 C25 . . 1.376(8) y
C24 H24 . . 0.95 ?
C25 C26 . . 1.398(7) y
C25 H25 . . 0.95 ?
C26 H26 . . 0.95 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O5 AG1 S1 C11 4_665 . . . 131.44(19) ?
O1 AG1 S1 C11 . . . . 28.1(2) ?
S2 AG1 S1 C11 4_666 . . . -82.66(17) ?
O5 AG1 S1 C17 4_665 . . . 15.79(19) ?
O1 AG1 S1 C17 . . . . -87.57(19) ?
S2 AG1 S1 C17 4_666 . . . 161.69(16) ?
O5 AG1 S1 AG2 4_665 . . . -94.30(11) ?
O1 AG1 S1 AG2 . . . . 162.35(11) ?
S2 AG1 S1 AG2 4_666 . . . 51.60(7) ?
O4 AG2 S1 C11 . . . . 100.5(2) ?
O3 AG2 S1 C11 4_566 . . . -166.58(19) ?
S2 AG2 S1 C11 4_566 . . . -47.25(17) ?
O4 AG2 S1 C17 . . . . -150.46(19) ?
O3 AG2 S1 C17 4_566 . . . -57.52(19) ?
S2 AG2 S1 C17 4_566 . . . 61.81(16) ?
O4 AG2 S1 AG1 . . . . -35.61(12) ?
O3 AG2 S1 AG1 4_566 . . . 57.33(11) ?
S2 AG2 S1 AG1 4_566 . . . 176.66(4) ?
O2 S3 O1 AG1 . . . . 123.2(3) ?
O3 S3 O1 AG1 . . . . -12.8(3) ?
C1 S3 O1 AG1 . . . . -124.3(3) ?
O5 AG1 O1 S3 4_665 . . . -50.9(3) ?
S1 AG1 O1 S3 . . . . 51.0(3) ?
S2 AG1 O1 S3 4_666 . . . 178.1(3) ?
O2 S3 O3 AG2 . . . 4_665 -26.6(3) ?
O1 S3 O3 AG2 . . . 4_665 109.8(2) ?
C1 S3 O3 AG2 . . . 4_665 -138.2(2) ?
O6 S4 O4 AG2 . . . . 78.5(3) ?
O5 S4 O4 AG2 . . . . -56.1(3) ?
C2 S4 O4 AG2 . . . . -167.3(3) ?
O3 AG2 O4 S4 4_566 . . . 91.3(3) ?
S2 AG2 O4 S4 4_566 . . . -17.7(3) ?
S1 AG2 O4 S4 . . . . -166.8(2) ?
O6 S4 O5 AG1 . . . 4_566 166.6(3) ?
O4 S4 O5 AG1 . . . 4_566 -58.4(4) ?
C2 S4 O5 AG1 . . . 4_566 52.5(4) ?
O2 S3 C1 F2 . . . . 53.5(4) ?
O1 S3 C1 F2 . . . . -67.8(4) ?
O3 S3 C1 F2 . . . . 173.5(4) ?
O2 S3 C1 F3 . . . . -67.7(4) ?
O1 S3 C1 F3 . . . . 171.0(4) ?
O3 S3 C1 F3 . . . . 52.3(4) ?
O2 S3 C1 F1 . . . . 173.5(4) ?
O1 S3 C1 F1 . . . . 52.3(4) ?
O3 S3 C1 F1 . . . . -66.5(4) ?
O6 S4 C2 F5 . . . . -54.3(5) ?
O5 S4 C2 F5 . . . . 65.8(5) ?
O4 S4 C2 F5 . . . . -175.1(4) ?
O6 S4 C2 F4 . . . . 69.6(5) ?
O5 S4 C2 F4 . . . . -170.3(4) ?
O4 S4 C2 F4 . . . . -51.3(5) ?
O6 S4 C2 F6 . . . . -173.1(4) ?
O5 S4 C2 F6 . . . . -53.0(4) ?
O4 S4 C2 F6 . . . . 66.0(4) ?
C17 S1 C11 C12 . . . . 89.1(4) ?
AG1 S1 C11 C12 . . . . -26.5(4) ?
AG2 S1 C11 C12 . . . . -169.0(4) ?
C17 S1 C11 C16 . . . . -97.5(4) ?
AG1 S1 C11 C16 . . . . 146.9(4) ?
AG2 S1 C11 C16 . . . . 4.4(4) ?
C16 C11 C12 C13 . . . . -0.6(7) ?
S1 C11 C12 C13 . . . . 172.7(4) ?
C11 C12 C13 C14 . . . . -0.3(8) ?
C12 C13 C14 C15 . . . . 1.9(8) ?
C13 C14 C15 C16 . . . . -2.6(8) ?
C14 C15 C16 C11 . . . . 1.7(8) ?
C12 C11 C16 C15 . . . . -0.1(8) ?
S1 C11 C16 C15 . . . . -173.4(4) ?
C11 S1 C17 C18 . . . . -66.1(4) ?
AG1 S1 C17 C18 . . . . 53.7(4) ?
AG2 S1 C17 C18 . . . . -176.3(3) ?
S1 C17 C18 C19 . . . . -159.4(4) ?
C17 C18 C19 S2 . . . . -179.5(3) ?
C21 S2 C19 C18 . . . . -166.1(4) ?
AG2 S2 C19 C18 4_665 . . . -52.5(4) ?
AG1 S2 C19 C18 4_565 . . . 82.8(4) ?
C19 S2 C21 C22 . . . . -121.0(4) ?
AG2 S2 C21 C22 4_665 . . . 127.4(4) ?
AG1 S2 C21 C22 4_565 . . . -8.6(4) ?
C19 S2 C21 C26 . . . . 62.7(5) ?
AG2 S2 C21 C26 4_665 . . . -49.0(4) ?
AG1 S2 C21 C26 4_565 . . . 175.1(4) ?
C26 C21 C22 C23 . . . . -0.8(8) ?
S2 C21 C22 C23 . . . . -177.2(4) ?
C21 C22 C23 C24 . . . . 1.3(9) ?
C22 C23 C24 C25 . . . . -2.0(9) ?
C23 C24 C25 C26 . . . . 2.4(9) ?
C24 C25 C26 C21 . . . . -1.9(8) ?
C22 C21 C26 C25 . . . . 1.1(8) ?
S2 C21 C26 C25 . . . . 177.4(4) ?
