#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/04/4300431.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_4300431
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0512835
_journal_year                    2006
_chemical_formula_sum            'C26 H24 Ag2 B2 F8 N6'
_chemical_formula_weight         809.87
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.490(5)
_cell_angle_beta                 96.249(5)
_cell_angle_gamma                93.248(5)
_cell_formula_units_Z            2
_cell_length_a                   7.1224(7)
_cell_length_b                   10.6180(10)
_cell_length_c                   19.1669(18)
_cell_measurement_temperature    110(2)
_cell_volume                     1436.8(2)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.872
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4300431
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 -0.16524(3) 0.49943(2) 1.041786(9) 0.02916(6) Uani 1 1 d . . .
Ag2 Ag 0.24110(3) 0.822135(17) 1.438419(10) 0.02840(6) Uani 1 1 d . . .
N1 N 0.3510(3) 0.89905(17) 1.54977(10) 0.0194(4) Uani 1 1 d . . .
N2 N 0.1754(3) 1.03037(18) 1.44552(10) 0.0198(4) Uani 1 1 d . . .
N3 N 0.2108(3) 0.64937(18) 1.37324(10) 0.0226(4) Uani 1 1 d . . .
H3A H 0.3062 0.5989 1.3886 0.027 Uiso 1 1 calc R . .
H3B H 0.0979 0.6074 1.3796 0.027 Uiso 1 1 calc R . .
N4 N -0.0193(3) 0.46390(19) 1.14228(10) 0.0209(4) Uani 1 1 d . . .
N5 N -0.2932(3) 0.64968(19) 0.97245(10) 0.0246(5) Uani 1 1 d . . .
N6 N -0.3227(3) 0.39624(19) 0.94323(10) 0.0234(4) Uani 1 1 d . . .
C1 C 0.4248(3) 0.8283(2) 1.60067(13) 0.0225(5) Uani 1 1 d . . .
H1 H 0.4417 0.7420 1.5895 0.027 Uiso 1 1 calc R . .
C2 C 0.4777(3) 0.8753(2) 1.66919(13) 0.0258(5) Uani 1 1 d . . .
H2 H 0.5279 0.8223 1.7044 0.031 Uiso 1 1 calc R . .
C3 C 0.4551(4) 1.0014(2) 1.68465(13) 0.0280(6) Uani 1 1 d . . .
H3 H 0.4931 1.0368 1.7307 0.034 Uiso 1 1 calc R . .
C4 C 0.3769(3) 1.0762(2) 1.63285(12) 0.0238(5) Uani 1 1 d . . .
H4 H 0.3591 1.1628 1.6430 0.029 Uiso 1 1 calc R . .
C5 C 0.3247(3) 1.0212(2) 1.56518(12) 0.0173(5) Uani 1 1 d . . .
C6 C 0.2329(3) 1.0947(2) 1.50712(12) 0.0179(5) Uani 1 1 d . . .
C7 C 0.2055(3) 1.2235(2) 1.51625(13) 0.0240(5) Uani 1 1 d . . .
H7 H 0.2492 1.2682 1.5595 0.029 Uiso 1 1 calc R . .
C8 C 0.1137(3) 1.2852(2) 1.46132(13) 0.0265(6) Uani 1 1 d . . .
H8 H 0.0925 1.3724 1.4669 0.032 Uiso 1 1 calc R . .
C9 C 0.0535(3) 1.2193(2) 1.39886(13) 0.0255(6) Uani 1 1 d . . .
H9 H -0.0110 1.2597 1.3608 0.031 Uiso 1 1 calc R . .
C10 C 0.0889(3) 1.0931(2) 1.39272(13) 0.0241(5) Uani 1 1 d . . .
H10 H 0.0504 1.0481 1.3491 0.029 Uiso 1 1 calc R . .
C11 C 0.2157(4) 0.6650(2) 1.29733(12) 0.0254(5) Uani 1 1 d . . .
H11A H 0.3468 0.6907 1.2890 0.031 Uiso 1 1 calc R . .
H11B H 0.1347 0.7341 1.2829 0.031 Uiso 1 1 calc R . .
C12 C 0.1501(3) 0.5474(2) 1.25136(12) 0.0183(5) Uani 1 1 d . . .
C13 C 0.0437(3) 0.5614(2) 1.18724(12) 0.0202(5) Uani 1 1 d . . .
H13 H 0.0140 0.6441 1.1746 0.024 Uiso 1 1 calc R . .
C14 C 0.0183(3) 0.3460(2) 1.16116(12) 0.0210(5) Uani 1 1 d . . .
H14 H -0.0278 0.2760 1.1303 0.025 Uiso 1 1 calc R . .
C15 C 0.1226(3) 0.3246(2) 1.22451(12) 0.0210(5) Uani 1 1 d . . .
H15 H 0.1473 0.2409 1.2368 0.025 Uiso 1 1 calc R . .
C16 C 0.1901(3) 0.4257(2) 1.26950(12) 0.0206(5) Uani 1 1 d . . .
H16 H 0.2636 0.4123 1.3126 0.025 Uiso 1 1 calc R . .
C17 C -0.2701(4) 0.7746(3) 0.98776(14) 0.0327(6) Uani 1 1 d . . .
H17 H -0.1859 0.8042 1.0277 0.039 Uiso 1 1 calc R . .
C18 C -0.3640(4) 0.8624(3) 0.94764(15) 0.0381(7) Uani 1 1 d . . .
H18 H -0.3444 0.9502 0.9599 0.046 Uiso 1 1 calc R . .
C19 C -0.4858(4) 0.8199(3) 0.88994(14) 0.0341(6) Uani 1 1 d . . .
H19 H -0.5530 0.8778 0.8619 0.041 Uiso 1 1 calc R . .
C20 C -0.5092(3) 0.6919(2) 0.87331(13) 0.0264(6) Uani 1 1 d . . .
H20 H -0.5922 0.6609 0.8333 0.032 Uiso 1 1 calc R . .
C21 C -0.4104(3) 0.6081(2) 0.91543(12) 0.0215(5) Uani 1 1 d . . .
C22 C -0.4283(3) 0.4679(2) 0.89941(12) 0.0203(5) Uani 1 1 d . . .
C23 C -0.5453(3) 0.4132(2) 0.84243(12) 0.0221(5) Uani 1 1 d . . .
H23 H -0.6177 0.4649 0.8119 0.026 Uiso 1 1 calc R . .
C24 C -0.5571(3) 0.2830(2) 0.82979(13) 0.0275(6) Uani 1 1 d . . .
H24 H -0.6402 0.2444 0.7917 0.033 Uiso 1 1 calc R . .
C25 C -0.4451(4) 0.2104(3) 0.87389(13) 0.0331(6) Uani 1 1 d . . .
H25 H -0.4464 0.1213 0.8660 0.040 Uiso 1 1 calc R . .
C26 C -0.3310(4) 0.2719(2) 0.92993(14) 0.0300(6) Uani 1 1 d . . .
H26 H -0.2547 0.2224 0.9604 0.036 Uiso 1 1 calc R . .
B1 B 0.7037(4) 0.5036(3) 0.35152(15) 0.0223(6) Uani 1 1 d . . .
F1 F 0.86690(19) 0.49357(13) 0.39779(7) 0.0312(3) Uani 1 1 d . . .
F4 F 0.7119(2) 0.62222(13) 0.32271(8) 0.0415(4) Uani 1 1 d . . .
F2 F 0.5488(2) 0.49377(15) 0.39061(8) 0.0374(4) Uani 1 1 d . . .
F3 F 0.6884(2) 0.40978(13) 0.29903(7) 0.0337(4) Uani 1 1 d . . .
B2 B 0.0097(16) 0.0454(11) 0.8169(5) 0.033(3) Uani 0.607(7) 1 d PD A 1
F5 F 0.0041(18) 0.1423(9) 0.8661(5) 0.047(2) Uani 0.607(7) 1 d PD A 1
F6 F 0.1333(5) -0.0429(3) 0.8413(3) 0.0684(17) Uani 0.607(7) 1 d PD A 1
F7 F -0.1695(17) -0.0111(18) 0.7985(10) 0.049(4) Uani 0.607(7) 1 d PD A 1
F8 F 0.0697(5) 0.0968(3) 0.75797(16) 0.0517(13) Uani 0.607(7) 1 d PD A 1
B2A B 0.019(2) 0.0259(13) 0.8337(8) 0.024(4) Uani 0.393(7) 1 d PD A 2
F5A F 0.016(3) 0.1511(12) 0.8540(8) 0.068(5) Uani 0.393(7) 1 d PD A 2
F6A F 0.0651(9) -0.0367(5) 0.8947(4) 0.065(2) Uani 0.393(7) 1 d PD A 2
F7A F -0.159(2) -0.021(3) 0.8051(15) 0.046(5) Uani 0.393(7) 1 d PD A 2
F8A F 0.1540(9) 0.0018(8) 0.7901(4) 0.086(3) Uani 0.393(7) 1 d PD A 2
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 2.1457(19) . ?
Ag1 N5 2.286(2) . ?
Ag1 N6 2.291(2) . ?
Ag1 Ag1 2.9875(4) 2_567 ?
Ag2 N3 2.1610(19) . ?
Ag2 N2 2.287(2) . ?
Ag2 N1 2.2908(19) . ?
N1 C1 1.337(3) . ?
N1 C5 1.346(3) . ?
N2 C10 1.348(3) . ?
N2 C6 1.350(3) . ?
N3 C11 1.475(3) . ?
N3 H3A 0.9200 . ?
N3 H3B 0.9200 . ?
N4 C13 1.342(3) . ?
N4 C14 1.351(3) . ?
N5 C21 1.343(3) . ?
N5 C17 1.343(3) . ?
N6 C26 1.331(3) . ?
N6 C22 1.353(3) . ?
C1 C2 1.389(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.380(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.388(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.402(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.500(3) . ?
C6 C7 1.398(3) . ?
C7 C8 1.387(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.374(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.381(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.517(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C16 1.390(3) . ?
C12 C13 1.390(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.378(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.389(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.372(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.379(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.396(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.502(3) . ?
C22 C23 1.384(3) . ?
C23 C24 1.390(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.387(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
B1 F3 1.376(3) . ?
B1 F1 1.395(3) . ?
B1 F4 1.398(3) . ?
B1 F2 1.401(3) . ?
B2 F5 1.370(10) . ?
B2 F8 1.373(10) . ?
B2 F7 1.382(9) . ?
B2 F6 1.384(11) . ?
B2A F8A 1.370(14) . ?
B2A F5A 1.371(12) . ?
B2A F7A 1.382(12) . ?
B2A F6A 1.389(14) . ?
