#------------------------------------------------------------------------------
#$Date: 2022-09-15 03:04:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277859 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/04/4300473.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_4300473
loop_
_publ_author_name
'Brisse, François'
'Mohamed Osman, Awaleh'
'Antonnella, Badia'
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051357c
_journal_year                    2006
_chemical_formula_moiety         'C24 H22 Ag2 F10 O4 S2'
_chemical_formula_sum            'C24 H22 Ag2 F10 O4 S2'
_chemical_formula_weight         844.28
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                116.3660(10)
_cell_angle_beta                 111.1930(10)
_cell_angle_gamma                92.9340(10)
_cell_formula_units_Z            2
_cell_length_a                   10.27860(10)
_cell_length_b                   13.02410(10)
_cell_length_c                   13.30400(10)
_cell_measurement_temperature    100(2)
_cell_volume                     1439.23(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.948
_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 (52 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4300473
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 0.62441(2) 0.427826(18) 0.467100(18) 0.01545(9) Uani 1 1 d . . .
Ag2 Ag 1.01478(2) 0.414364(18) 0.385687(19) 0.01360(9) Uani 1 1 d . . .
S1 S 0.74653(8) 0.35345(6) 0.32121(6) 0.01082(15) Uani 1 1 d . . .
S2 S 0.50579(8) 0.36443(6) -0.42745(6) 0.01234(15) Uani 1 1 d . . .
F1 F 0.9768(3) 0.7974(2) 0.8439(2) 0.0433(7) Uani 1 1 d . . .
F2 F 0.8058(3) 0.8686(2) 0.8900(2) 0.0427(6) Uani 1 1 d . . .
F3 F 0.9379(3) 0.6370(3) 0.9179(3) 0.0601(9) Uani 1 1 d . . .
F4 F 0.7855(3) 0.7201(3) 0.9782(2) 0.0580(8) Uani 1 1 d . . .
F5 F 1.0021(3) 0.8210(3) 1.0580(2) 0.0588(9) Uani 1 1 d . . .
F6 F 1.0273(3) 0.14983(18) 0.5295(2) 0.0333(5) Uani 1 1 d . . .
F7 F 0.8593(2) 0.19648(19) 0.5896(2) 0.0287(5) Uani 1 1 d . . .
F8 F 1.2298(3) 0.3149(3) 0.7642(3) 0.0710(11) Uani 1 1 d . . .
F9 F 1.0597(5) 0.3531(3) 0.8210(2) 0.0707(11) Uani 1 1 d . . .
F10 F 1.0921(3) 0.1776(2) 0.7537(2) 0.0437(7) Uani 1 1 d . . .
O1 O 0.7747(2) 0.61997(19) 0.6392(2) 0.0151(4) Uani 1 1 d . . .
O2 O 1.0874(2) 0.3589(2) 0.5451(2) 0.0180(5) Uani 1 1 d . . .
O3 O 1.0834(3) 0.5900(2) 0.3866(2) 0.0192(5) Uani 1 1 d . . .
O4 O 0.3831(2) 0.3520(2) 0.2763(2) 0.0180(5) Uani 1 1 d . . .
C1 C 0.7366(3) 0.6681(3) 0.7244(3) 0.0155(6) Uani 1 1 d . . .
C2 C 0.8528(4) 0.7684(3) 0.8512(3) 0.0266(8) Uani 1 1 d . . .
C3 C 0.8938(5) 0.7353(5) 0.9532(4) 0.0418(11) Uani 1 1 d . . .
C4 C 0.9987(3) 0.3468(3) 0.5849(3) 0.0137(6) Uani 1 1 d . . .
C5 C 0.9934(3) 0.2403(3) 0.6080(3) 0.0163(6) Uani 1 1 d . . .
C6 C 1.0952(5) 0.2718(3) 0.7391(4) 0.0343(10) Uani 1 1 d . . .
C11 C 0.6940(4) 0.1951(3) 0.2434(3) 0.0161(6) Uani 1 1 d . . .
C12 C 0.5497(4) 0.1366(3) 0.1927(3) 0.0220(7) Uani 1 1 d . . .
H12 H 0.4787 0.1801 0.1978 0.026 Uiso 1 1 calc R . .
C13 C 0.5115(5) 0.0144(3) 0.1346(4) 0.0316(9) Uani 1 1 d . . .
H13 H 0.4131 -0.0267 0.0980 0.038 Uiso 1 1 calc R . .
C14 C 0.6159(5) -0.0486(3) 0.1296(4) 0.0366(10) Uani 1 1 d . . .
H14 H 0.5889 -0.1325 0.0905 0.044 Uiso 1 1 calc R . .
C15 C 0.7593(5) 0.0102(3) 0.1812(4) 0.0347(9) Uani 1 1 d . . .
H15 H 0.8304 -0.0334 0.1771 0.042 Uiso 1 1 calc R . .
C16 C 0.7990(4) 0.1331(3) 0.2392(3) 0.0245(7) Uani 1 1 d . . .
H16 H 0.8973 0.1741 0.2755 0.029 Uiso 1 1 calc R . .
C21 C 0.4240(3) 0.2091(3) -0.5219(3) 0.0133(6) Uani 1 1 d . . .
C22 C 0.2807(4) 0.1703(3) -0.5516(3) 0.0202(7) Uani 1 1 d . . .
H22 H 0.2281 0.2255 -0.5225 0.024 Uiso 1 1 calc R . .
C23 C 0.2136(4) 0.0490(3) -0.6249(4) 0.0269(8) Uani 1 1 d . . .
H23 H 0.1151 0.0214 -0.6456 0.032 Uiso 1 1 calc R . .
C24 C 0.2909(4) -0.0310(3) -0.6675(3) 0.0238(7) Uani 1 1 d . . .
H24 H 0.2455 -0.1134 -0.7172 0.029 Uiso 1 1 calc R . .
C25 C 0.4336(4) 0.0091(3) -0.6377(3) 0.0247(7) Uani 1 1 d . . .
H25 H 0.4862 -0.0461 -0.6668 0.030 Uiso 1 1 calc R . .
C26 C 0.5013(4) 0.1294(3) -0.5657(3) 0.0206(7) Uani 1 1 d . . .
H26 H 0.5992 0.1568 -0.5467 0.025 Uiso 1 1 calc R . .
C27 C 0.6441(3) 0.3718(3) -0.2897(3) 0.0163(6) Uani 1 1 d . . .
H27A H 0.6875 0.3039 -0.3153 0.020 Uiso 1 1 calc R . .
H27B H 0.7214 0.4456 -0.2448 0.020 Uiso 1 1 calc R . .
C28 C 0.5810(4) 0.3693(3) -0.2039(3) 0.0176(6) Uani 1 1 d . . .
H28A H 0.4963 0.3004 -0.2523 0.021 Uiso 1 1 calc R . .
H28B H 0.5467 0.4418 -0.1722 0.021 Uiso 1 1 calc R . .
C29 C 0.6867(4) 0.3618(3) -0.0934(3) 0.0167(6) Uani 1 1 d . . .
H29A H 0.7088 0.2835 -0.1234 0.020 Uiso 1 1 calc R . .
H29B H 0.7779 0.4233 -0.0516 0.020 Uiso 1 1 calc R . .
C30 C 0.6244(3) 0.3794(3) -0.0006(3) 0.0155(6) Uani 1 1 d . . .
H30A H 0.5262 0.3260 -0.0460 0.019 Uiso 1 1 calc R . .
H30B H 0.6152 0.4618 0.0373 0.019 Uiso 1 1 calc R . .
C31 C 0.7143(3) 0.3556(3) 0.1035(3) 0.0151(6) Uani 1 1 d . . .
H31A H 0.7147 0.2708 0.0676 0.018 Uiso 1 1 calc R . .
H31B H 0.8151 0.4031 0.1448 0.018 Uiso 1 1 calc R . .
C32 C 0.6526(3) 0.3874(3) 0.1988(3) 0.0132(6) Uani 1 1 d . . .
H32A H 0.5498 0.3438 0.1556 0.016 Uiso 1 1 calc R . .
H32B H 0.6574 0.4732 0.2373 0.016 Uiso 1 1 calc R . .
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 O1 . . 2.419(2) y
Ag1 S2 . 1_556 2.5098(7) y
Ag1 S1 . . 2.5489(7) y
Ag1 O4 . . 2.558(2) y
Ag2 O1 . 2_766 2.340(2) y
Ag2 O3 . . 2.352(2) y
Ag2 O2 . . 2.418(2) y
Ag2 S1 . . 2.5356(7) y
Ag2 Ag2 . 2_766 3.0052(4) y
S1 C11 . . 1.790(3) y
S1 C32 . . 1.823(3) y
S2 C21 . . 1.784(3) y
S2 C27 . . 1.826(3) y
S2 Ag1 . 1_554 2.5098(7) y
F1 C2 . . 1.360(4) y
F2 C2 . . 1.360(4) y
F3 C3 . . 1.321(6) y
F4 C3 . . 1.300(6) y
F5 C3 . . 1.341(5) y
F6 C5 . . 1.346(4) y
F7 C5 . . 1.355(4) y
F8 C6 . . 1.327(5) y
F9 C6 . . 1.320(6) y
F10 C6 . . 1.324(4) y
O1 C1 . . 1.244(4) y
O1 Ag2 . 2_766 2.340(2) y
O2 C4 . . 1.244(4) y
O3 C4 . 2_766 1.248(4) y
O4 C1 . 2_666 1.240(4) y
C1 O4 . 2_666 1.240(4) y
C1 C2 . . 1.550(4) y
C2 C3 . . 1.528(6) y
C4 O3 . 2_766 1.248(4) y
C4 C5 . . 1.550(4) y
C5 C6 . . 1.519(5) y
C11 C16 . . 1.383(5) y
C11 C12 . . 1.392(5) y
C12 C13 . . 1.382(5) y
C12 H12 . . 0.95 ?
C13 C14 . . 1.386(6) y
C13 H13 . . 0.95 ?
C14 C15 . . 1.384(7) y
C14 H14 . . 0.95 ?
C15 C16 . . 1.390(5) y
C15 H15 . . 0.95 ?
C16 H16 . . 0.95 ?
C21 C22 . . 1.381(5) y
C21 C26 . . 1.390(5) y
C22 C23 . . 1.399(5) y
C22 H22 . . 0.95 ?
C23 C24 . . 1.387(5) y
C23 H23 . . 0.95 ?
C24 C25 . . 1.378(5) y
C24 H24 . . 0.95 ?
C25 C26 . . 1.389(5) y
C25 H25 . . 0.95 ?
C26 H26 . . 0.95 ?
C27 C28 . . 1.514(4) y
C27 H27a . . 0.99 ?
C27 H27b . . 0.99 ?
C28 C29 . . 1.528(4) y
C28 H28a . . 0.99 ?
C28 H28b . . 0.99 ?
C29 C30 . . 1.524(4) y
C29 H29a . . 0.99 ?
C29 H29b . . 0.99 ?
C30 C31 . . 1.534(4) y
C30 H30a . . 0.99 ?
C30 H30b . . 0.99 ?
C31 C32 . . 1.524(4) y
C31 H31a . . 0.99 ?
C31 H31b . . 0.99 ?
C32 H32a . . 0.99 ?
C32 H32b . . 0.99 ?
