#------------------------------------------------------------------------------
#$Date: 2022-09-15 02:04:42 +0200 (Thu 15 de Sep de 2022) $
#$Revision: 277859 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/04/4300470.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_4300470
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         'C22 H18 Ag2 F10 O4 S2'
_chemical_formula_sum            'C22 H18 Ag2 F10 O4 S2'
_chemical_formula_weight         816.22
_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                111.128(3)
_cell_angle_beta                 91.177(3)
_cell_angle_gamma                107.772(3)
_cell_formula_units_Z            2
_cell_length_a                   9.7118(5)
_cell_length_b                   11.3140(6)
_cell_length_c                   14.0734(6)
_cell_measurement_temperature    220(2)
_cell_volume                     1358.67(12)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.995
_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 (51 time).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4300470
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 0.02178(4) 0.32608(4) -0.00018(3) 0.04199(15) Uani 1 1 d . . .
Ag2 Ag 0.13092(4) 0.11807(4) 0.04500(3) 0.04211(15) Uani 1 1 d . . .
S1 S -0.15519(13) 0.49692(12) 0.07199(9) 0.0309(3) Uani 1 1 d . . .
S2 S 0.15984(13) -0.09547(12) 0.07591(9) 0.0313(3) Uani 1 1 d . . .
F1 F 0.4190(6) 0.6490(4) 0.2790(4) 0.0999(18) Uani 1 1 d . . .
F2 F 0.5097(5) 0.5057(6) 0.2902(5) 0.124(2) Uani 1 1 d . . .
F3 F 0.2060(8) 0.5710(8) 0.3799(5) 0.141(3) Uani 1 1 d . . .
F4 F 0.4203(8) 0.6210(7) 0.4608(4) 0.149(3) Uani 1 1 d . . .
F5 F 0.2843(11) 0.4133(7) 0.3836(4) 0.160(3) Uani 1 1 d . . .
F6 F 0.0790(7) -0.2299(5) -0.3491(4) 0.0983(17) Uani 1 1 d . . .
F7 F 0.0941(6) -0.0332(6) -0.3428(4) 0.0953(17) Uani 1 1 d . . .
F8 F 0.3492(8) -0.1355(10) -0.2560(5) 0.162(4) Uani 1 1 d . . .
F9 F 0.3728(9) 0.0590(9) -0.2612(6) 0.193(5) Uani 1 1 d . . .
F10 F 0.3225(7) -0.1185(7) -0.4016(4) 0.124(2) Uani 1 1 d . . .
O1 O 0.1775(5) 0.4548(4) 0.1515(3) 0.0512(10) Uani 1 1 d . . .
O2 O 0.2963(5) 0.3125(4) 0.1523(4) 0.0583(12) Uani 1 1 d . . .
O3 O 0.1556(5) 0.0716(5) -0.1281(3) 0.0550(11) Uani 1 1 d . . .
O4 O 0.0559(5) -0.1447(5) -0.1541(3) 0.0585(12) Uani 1 1 d . . .
C1 C 0.2716(7) 0.4206(6) 0.1853(4) 0.0481(15) Uani 1 1 d . . .
C2 C 0.3781(9) 0.5286(7) 0.2841(5) 0.0615(18) Uani 1 1 d . . .
C3 C 0.3230(14) 0.5293(11) 0.3796(7) 0.106(4) Uani 1 1 d . . .
C4 C 0.1163(7) -0.0521(8) -0.1793(5) 0.0509(16) Uani 1 1 d . . .
C5 C 0.1499(9) -0.0931(8) -0.2933(6) 0.0638(19) Uani 1 1 d . . .
C6 C 0.3017(12) -0.0695(15) -0.3029(7) 0.103(4) Uani 1 1 d . . .
C11 C -0.1518(5) 0.5612(5) 0.2068(4) 0.0330(11) Uani 1 1 d . . .
C12 C -0.1424(7) 0.4842(7) 0.2616(5) 0.0514(15) Uani 1 1 d . . .
H12 H -0.1400 0.3968 0.2267 0.062 Uiso 1 1 calc R . .
C13 C -0.1365(9) 0.5333(9) 0.3660(5) 0.067(2) Uani 1 1 d . . .
H13 H -0.1317 0.4789 0.4022 0.080 Uiso 1 1 calc R . .
C14 C -0.1376(8) 0.6604(9) 0.4186(5) 0.066(2) Uani 1 1 d . . .
H14 H -0.1333 0.6932 0.4906 0.079 Uiso 1 1 calc R . .
C15 C -0.1449(8) 0.7411(7) 0.3655(5) 0.0612(18) Uani 1 1 d . . .
H15 H -0.1452 0.8290 0.4014 0.073 Uiso 1 1 calc R . .
C16 C -0.1517(6) 0.6912(6) 0.2591(4) 0.0448(13) Uani 1 1 d . . .
H16 H -0.1563 0.7454 0.2226 0.054 Uiso 1 1 calc R . .
C17 C -0.3486(5) 0.4295(5) 0.0187(4) 0.0341(11) Uani 1 1 d . . .
H17A H -0.3590 0.3743 -0.0547 0.041 Uiso 1 1 calc R . .
H17B H -0.4008 0.3703 0.0523 0.041 Uiso 1 1 calc R . .
C18 C -0.4221(5) 0.5343(5) 0.0302(4) 0.0335(11) Uani 1 1 d . . .
H18A H -0.3649 0.6008 0.0041 0.040 Uiso 1 1 calc R . .
H18B H -0.4263 0.5815 0.1032 0.040 Uiso 1 1 calc R . .
C21 C 0.2173(6) -0.0488(5) 0.2101(4) 0.0353(11) Uani 1 1 d . . .
C22 C 0.2127(7) -0.1476(7) 0.2474(5) 0.0524(15) Uani 1 1 d . . .
H22 H 0.1798 -0.2390 0.2034 0.063 Uiso 1 1 calc R . .
C23 C 0.2581(9) -0.1074(9) 0.3520(6) 0.069(2) Uani 1 1 d . . .
H23 H 0.2543 -0.1723 0.3798 0.083 Uiso 1 1 calc R . .
C24 C 0.3084(9) 0.0270(8) 0.4148(5) 0.066(2) Uani 1 1 d . . .
H24 H 0.3401 0.0528 0.4851 0.079 Uiso 1 1 calc R . .
C25 C 0.3134(9) 0.1222(8) 0.3778(5) 0.0627(19) Uani 1 1 d . . .
H25 H 0.3474 0.2135 0.4222 0.075 Uiso 1 1 calc R . .
C26 C 0.2677(7) 0.0851(6) 0.2730(5) 0.0497(15) Uani 1 1 d . . .
H26 H 0.2715 0.1509 0.2462 0.060 Uiso 1 1 calc R . .
C27 C 0.3217(5) -0.1172(5) 0.0181(4) 0.0351(11) Uani 1 1 d . . .
H27A H 0.3681 -0.1588 0.0534 0.042 Uiso 1 1 calc R . .
H27B H 0.2911 -0.1790 -0.0542 0.042 Uiso 1 1 calc R . .
C28 C 0.4332(5) 0.0131(5) 0.0233(4) 0.0339(11) Uani 1 1 d . . .
H28A H 0.4632 0.0765 0.0952 0.041 Uiso 1 1 calc R . .
H28B H 0.3893 0.0537 -0.0144 0.041 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 . . 2.291(4) y
Ag1 S2 . 2 2.4826(12) y
Ag1 S1 . 2_565 2.5767(13) y
Ag1 S1 . . 2.8992(13) y
Ag1 Ag2 . . 3.1048(6) y
Ag2 O2 . . 2.247(4) y
Ag2 O3 . . 2.334(4) y
Ag2 O4 . 2 2.419(4) y
Ag2 S2 . . 2.6967(13) y
Ag2 Ag2 . 2 2.9137(8) y
S1 C11 . . 1.766(5) y
S1 C17 . . 1.824(5) y
S1 Ag1 . 2_565 2.5767(13) y
S2 C21 . . 1.792(5) y
S2 C27 . . 1.826(5) y
S2 Ag1 . 2 2.4826(12) y
F1 C2 . . 1.326(8) y
F2 C2 . . 1.385(9) y
F3 C3 . . 1.357(14) y
F4 C3 . . 1.333(10) y
F5 C3 . . 1.273(12) y
F6 C5 . . 1.392(9) y
F7 C5 . . 1.338(8) y
F8 C6 . . 1.327(13) y
F9 C6 . . 1.300(15) y
F10 C6 . . 1.343(10) y
O1 C1 . . 1.241(7) y
O2 C1 . . 1.242(8) y
O3 C4 . . 1.248(8) y
O4 C4 . . 1.213(8) y
O4 Ag2 . 2 2.419(4) y
C1 C2 . . 1.562(8) y
C2 C3 . . 1.456(12) y
C4 C5 . . 1.573(9) y
C5 C6 . . 1.434(12) y
C11 C12 . . 1.375(8) y
C11 C16 . . 1.387(7) y
C12 C13 . . 1.364(9) y
C12 H12 . . 0.94 ?
C13 C14 . . 1.362(11) y
C13 H13 . . 0.94 ?
C14 C15 . . 1.388(10) y
C14 H14 . . 0.94 ?
C15 C16 . . 1.389(8) y
C15 H15 . . 0.94 ?
C16 H16 . . 0.94 ?
C17 C18 . . 1.525(7) y
C17 H17a . . 0.98 ?
C17 H17b . . 0.98 ?
C18 C18 . 2_465 1.539(9) y
C18 H18a . . 0.98 ?
C18 H18b . . 0.98 ?
C21 C26 . . 1.372(8) y
C21 C22 . . 1.386(8) y
C22 C23 . . 1.392(9) y
C22 H22 . . 0.94 ?
C23 C24 . . 1.376(11) y
C23 H23 . . 0.94 ?
C24 C25 . . 1.345(10) y
C24 H24 . . 0.94 ?
C25 C26 . . 1.401(9) y
C25 H25 . . 0.94 ?
C26 H26 . . 0.94 ?
C27 C28 . . 1.516(7) y
C27 H27a . . 0.98 ?
C27 H27b . . 0.98 ?
C28 C28 . 2_655 1.527(9) y
C28 H28a . . 0.98 ?
C28 H28b . . 0.98 ?
