#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/04/4300432.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_4300432
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051284x
_journal_year                    2006
_chemical_formula_sum            'C32 H32 Ag4 F12 N8 O8'
_chemical_formula_weight         1316.14
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3431(4)
_cell_length_b                   17.0246(5)
_cell_length_c                   23.3149(8)
_cell_measurement_temperature    110(2)
_cell_volume                     4105.5(2)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    2.129
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4300432
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -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_assembly
_atom_site_disorder_group
Ag1 Ag 0.79577(2) 0.999825(14) 0.200084(8) 0.01861(5) Uani 1 1 d . . .
Ag2 Ag 0.68382(2) 0.500646(14) 0.216092(8) 0.01895(5) Uani 1 1 d . . .
Ag3 Ag 0.68524(2) 0.086720(13) 0.031379(9) 0.01950(6) Uani 1 1 d . . .
Ag4 Ag 0.78430(2) 0.586287(13) 0.036981(9) 0.02290(6) Uani 1 1 d . . .
F1 F 1.2054(2) 1.15046(13) 0.08180(8) 0.0488(6) Uani 1 1 d . . .
F2 F 1.0258(3) 1.20857(12) 0.09798(10) 0.0528(6) Uani 1 1 d . . .
F3 F 1.1655(2) 1.19335(11) 0.16612(8) 0.0458(6) Uani 1 1 d . . .
F4 F 0.2622(3) 0.64447(17) 0.08557(10) 0.0716(9) Uani 1 1 d . . .
F5 F 0.4343(4) 0.70805(14) 0.10073(13) 0.0859(10) Uani 1 1 d . . .
F6 F 0.3039(3) 0.68555(16) 0.17025(9) 0.0830(10) Uani 1 1 d . . .
F7 F 0.7225(3) 0.40257(19) 0.3674(2) 0.146(2) Uani 1 1 d . . .
F8 F 0.5355(5) 0.37545(15) 0.33897(11) 0.1089(15) Uani 1 1 d . . .
F9 F 0.5688(3) 0.39609(13) 0.42501(9) 0.0544(6) Uani 1 1 d . . .
F10 F 1.0207(3) 0.39423(14) 0.16065(11) 0.0635(7) Uani 1 1 d . . .
F11 F 1.1866(3) 0.39711(15) 0.10555(10) 0.0676(8) Uani 1 1 d . . .
F12 F 1.1616(3) 0.48579(16) 0.16871(10) 0.0681(7) Uani 1 1 d . . .
O1 O 1.0067(2) 1.07368(12) 0.18507(9) 0.0235(5) Uani 1 1 d . . .
O2 O 1.0346(2) 1.03461(13) 0.09393(10) 0.0293(5) Uani 1 1 d . . .
O3 O 0.4719(2) 0.57036(12) 0.18503(9) 0.0258(5) Uani 1 1 d . . .
O4 O 0.4428(2) 0.53465(13) 0.09298(9) 0.0310(6) Uani 1 1 d . . .
O5 O 0.6357(3) 0.53744(14) 0.32152(10) 0.0384(6) Uani 1 1 d . . .
O6 O 0.4852(3) 0.53618(14) 0.39047(10) 0.0379(6) Uani 1 1 d . . .
O7 O 0.9550(2) 0.54446(14) 0.11087(10) 0.0361(6) Uani 1 1 d . . .
O8 O 1.0220(2) 0.47329(17) 0.03782(10) 0.0462(7) Uani 1 1 d . . .
N1 N 0.8783(2) 0.88350(14) 0.19821(10) 0.0170(5) Uani 1 1 d . . .
N2 N 0.8211(2) 0.59738(14) 0.21154(10) 0.0183(5) Uani 1 1 d . . .
H2A H 0.8591 0.6034 0.2470 0.022 Uiso 1 1 calc R . .
H2B H 0.8853 0.5843 0.1859 0.022 Uiso 1 1 calc R . .
N3 N 0.6032(2) 0.38467(14) 0.20306(10) 0.0175(5) Uani 1 1 d . . .
N4 N 0.6675(2) 0.09886(14) 0.20406(11) 0.0199(6) Uani 1 1 d . . .
H4A H 0.5992 0.0895 0.1797 0.024 Uiso 1 1 calc R . .
H4B H 0.6347 0.1018 0.2407 0.024 Uiso 1 1 calc R . .
N5 N 0.6068(2) 0.20315(14) 0.04269(10) 0.0175(5) Uani 1 1 d . . .
N6 N 0.6633(2) 0.48434(13) 0.02661(10) 0.0196(6) Uani 1 1 d . . .
H6A H 0.5815 0.4960 0.0396 0.024 Uiso 1 1 calc R . .
H6B H 0.6572 0.4726 -0.0118 0.024 Uiso 1 1 calc R . .
N7 N 0.8630(2) -0.29624(14) 0.04344(10) 0.0199(5) Uani 1 1 d . . .
N8 N 0.8125(2) -0.01369(13) 0.02621(10) 0.0182(5) Uani 1 1 d . . .
H8A H 0.8301 -0.0241 -0.0117 0.022 Uiso 1 1 calc R . .
H8B H 0.8893 -0.0018 0.0441 0.022 Uiso 1 1 calc R . .
C1 C 1.0068(3) 0.87549(18) 0.19947(12) 0.0193(6) Uani 1 1 d . . .
H1 H 1.0593 0.9212 0.2007 0.023 Uiso 1 1 calc R . .
C2 C 1.0655(3) 0.80228(18) 0.19900(12) 0.0192(6) Uani 1 1 d . . .
H2 H 1.1571 0.7981 0.1994 0.023 Uiso 1 1 calc R . .
C3 C 0.9898(3) 0.73559(18) 0.19792(12) 0.0191(6) Uani 1 1 d . . .
H3 H 1.0290 0.6851 0.1981 0.023 Uiso 1 1 calc R . .
C4 C 0.8566(3) 0.74262(17) 0.19657(12) 0.0170(6) Uani 1 1 d . . .
C5 C 0.8048(3) 0.81817(17) 0.19625(11) 0.0172(6) Uani 1 1 d . . .
H5 H 0.7135 0.8239 0.1946 0.021 Uiso 1 1 calc R . .
C6 C 0.7648(3) 0.67284(18) 0.19419(13) 0.0204(7) Uani 1 1 d . . .
H6C H 0.6898 0.6840 0.2193 0.024 Uiso 1 1 calc R . .
H6D H 0.7320 0.6677 0.1545 0.024 Uiso 1 1 calc R . .
C7 C 0.4737(3) 0.37504(18) 0.20054(12) 0.0185(6) Uani 1 1 d . . .
H7 H 0.4197 0.4201 0.2028 0.022 Uiso 1 1 calc R . .
C8 C 0.4170(3) 0.30186(18) 0.19482(12) 0.0195(6) Uani 1 1 d . . .
H8 H 0.3256 0.2970 0.1932 0.023 Uiso 1 1 calc R . .
C9 C 0.4947(3) 0.23543(17) 0.19144(12) 0.0179(6) Uani 1 1 d . . .
H9 H 0.4571 0.1848 0.1877 0.022 Uiso 1 1 calc R . .
C10 C 0.6286(3) 0.24398(17) 0.19362(11) 0.0164(6) Uani 1 1 d . . .
C11 C 0.6767(3) 0.31977(17) 0.19915(11) 0.0168(6) Uani 1 1 d . . .
H11 H 0.7679 0.3262 0.2002 0.020 Uiso 1 1 calc R . .
C12 C 0.7229(3) 0.17558(17) 0.18942(13) 0.0186(6) Uani 1 1 d . . .
H12A H 0.7569 0.1732 0.1498 0.022 Uiso 1 1 calc R . .
H12B H 0.7969 0.1860 0.2153 0.022 Uiso 1 1 calc R . .
C13 C 0.4770(3) 0.20994(18) 0.04496(13) 0.0209(7) Uani 1 1 d . . .
H13 H 0.4257 0.1638 0.0419 0.025 Uiso 1 1 calc R . .
C14 C 0.4164(3) 0.28102(17) 0.05159(12) 0.0197(6) Uani 1 1 d . . .
H14 H 0.3247 0.2838 0.0533 0.024 Uiso 1 1 calc R . .
C15 C 0.4902(3) 0.34896(17) 0.05573(11) 0.0178(6) Uani 1 1 d . . .
H15 H 0.4494 0.3986 0.0603 0.021 Uiso 1 1 calc R . .
C16 C 0.6236(3) 0.34369(17) 0.05321(11) 0.0162(6) Uani 1 1 d . . .
C17 C 0.6771(3) 0.26947(17) 0.04675(11) 0.0183(6) Uani 1 1 d . . .
H17 H 0.7686 0.2652 0.0451 0.022 Uiso 1 1 calc R . .
C18 C 0.7115(3) 0.41465(17) 0.05741(12) 0.0192(6) Uani 1 1 d . . .
H18A H 0.7229 0.4283 0.0984 0.023 Uiso 1 1 calc R . .
H18B H 0.7974 0.4005 0.0419 0.023 Uiso 1 1 calc R . .
C19 C 0.9915(3) -0.28957(18) 0.04805(13) 0.0216(7) Uani 1 1 d . . .
H19 H 1.0429 -0.3358 0.0468 0.026 Uiso 1 1 calc R . .
C20 C 1.0517(3) -0.21835(18) 0.05448(12) 0.0223(7) Uani 1 1 d . . .
H20 H 1.1431 -0.2157 0.0578 0.027 Uiso 1 1 calc R . .
C21 C 0.9783(3) -0.15032(17) 0.05616(12) 0.0190(6) Uani 1 1 d . . .
H21 H 1.0187 -0.1006 0.0610 0.023 Uiso 1 1 calc R . .
C22 C 0.8451(3) -0.15574(17) 0.05070(11) 0.0164(6) Uani 1 1 d . . .
C23 C 0.7918(3) -0.23069(17) 0.04538(11) 0.0198(6) Uani 1 1 d . . .
H23 H 0.7005 -0.2354 0.0430 0.024 Uiso 1 1 calc R . .
C24 C 0.7566(3) -0.08467(18) 0.05300(12) 0.0194(6) Uani 1 1 d . . .
H24A H 0.6745 -0.0977 0.0334 0.023 Uiso 1 1 calc R . .
H24B H 0.7362 -0.0730 0.0936 0.023 Uiso 1 1 calc R . .
C25 C 1.0453(3) 1.07982(18) 0.13520(12) 0.0171(6) Uani 1 1 d . . .
C26 C 1.1117(3) 1.15817(19) 0.12057(13) 0.0264(8) Uani 1 1 d . . .
C27 C 0.4320(3) 0.57773(18) 0.13543(13) 0.0196(6) Uani 1 1 d . . .
C28 C 0.3573(4) 0.6545(2) 0.12381(14) 0.0378(10) Uani 1 1 d . . .
C29 C 0.5741(3) 0.5077(2) 0.36103(12) 0.0259(7) Uani 1 1 d . . .
C30 C 0.6048(4) 0.4209(2) 0.37405(14) 0.0306(8) Uani 1 1 d . . .
C31 C 1.0184(3) 0.49128(19) 0.08822(12) 0.0231(7) Uani 1 1 d . . .
C32 C 1.0975(4) 0.4413(2) 0.13085(14) 0.0324(8) Uani 1 1 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N4 2.147(2) 1_565 ?
Ag1 N1 2.157(2) . ?
Ag1 O1 2.542(2) . ?
Ag2 N3 2.165(2) . ?
Ag2 N2 2.177(2) . ?
Ag2 O5 2.585(2) . ?
Ag2 O3 2.595(2) . ?
Ag3 N5 2.158(2) . ?
Ag3 N8 2.161(2) . ?
Ag3 O8 2.549(2) 4_455 ?
Ag4 N6 2.153(2) . ?
Ag4 N7 2.164(2) 1_565 ?
Ag4 O7 2.567(2) . ?
F1 C26 1.332(4) . ?
F2 C26 1.343(4) . ?
F3 C26 1.340(4) . ?
F4 C28 1.338(4) . ?
F5 C28 1.325(5) . ?
F6 C28 1.325(4) . ?
F7 C30 1.266(4) . ?
F8 C30 1.335(4) . ?
F9 C30 1.315(4) . ?
F10 C32 1.325(4) . ?
F11 C32 1.329(4) . ?
F12 C32 1.339(4) . ?
O1 C25 1.234(3) . ?
O2 C25 1.237(3) . ?
O3 C27 1.235(4) . ?
O4 C27 1.237(4) . ?
O5 C29 1.230(4) . ?
O6 C29 1.246(4) . ?
O7 C31 1.237(4) . ?
O8 C31 1.215(4) . ?
O8 Ag3 2.549(2) 4 ?
N1 C1 1.336(4) . ?
N1 C5 1.348(4) . ?
N2 C6 1.467(4) . ?
N2 H2A 0.9200 . ?
N2 H2B 0.9200 . ?
N3 C11 1.344(4) . ?
N3 C7 1.350(4) . ?
N4 C12 1.467(4) . ?
N4 Ag1 2.147(2) 1_545 ?
N4 H4A 0.9200 . ?
N4 H4B 0.9200 . ?
N5 C17 1.346(4) . ?
N5 C13 1.348(4) . ?
N6 C18 1.474(4) . ?
N6 H6A 0.9200 . ?
N6 H6B 0.9200 . ?
N7 C23 1.338(4) . ?
N7 C19 1.339(4) . ?
N7 Ag4 2.164(2) 1_545 ?
N8 C24 1.478(4) . ?
N8 H8A 0.9200 . ?
N8 H8B 0.9200 . ?
C1 C2 1.387(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.379(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(4) . ?
C4 C6 1.521(4) . ?
C5 H5 0.9500 . ?
C6 H6C 0.9900 . ?
C6 H6D 0.9900 . ?
C7 C8 1.383(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.390(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.393(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(4) . ?
C10 C12 1.522(4) . ?
C11 H11 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.372(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.389(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.384(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(4) . ?
C16 C18 1.515(4) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.371(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.395(4) . ?
C22 C24 1.518(4) . ?
C23 H23 0.9500 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.538(4) . ?
C27 C28 1.543(4) . ?
C29 C30 1.541(5) . ?
C31 C32 1.542(4) . ?
