#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/04/4300428.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_4300428
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0512835
_journal_year                    2006
_chemical_formula_sum            'C18 H24 Ag2 B2 F8 N6'
_chemical_formula_weight         713.79
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                110.934(6)
_cell_angle_beta                 97.226(6)
_cell_angle_gamma                96.238(6)
_cell_formula_units_Z            1
_cell_length_a                   6.8504(10)
_cell_length_b                   8.4092(12)
_cell_length_c                   11.5982(17)
_cell_measurement_temperature    110(2)
_cell_volume                     610.51(15)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.941
_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               4300428
loop_
_symmetry_equiv_pos_as_xyz
'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 0.07666(2) 0.50284(2) -0.017390(19) 0.03101(7) Uani 1 1 d . . .
Ag2 Ag 1.19445(2) 0.52046(2) 0.435137(19) 0.02937(7) Uani 1 1 d D . .
F1 F 0.8734(4) 1.0342(5) 0.2738(3) 0.0936(13) Uani 1 1 d . . .
F2 F 0.8356(7) 0.9346(5) 0.0684(4) 0.1097(15) Uani 1 1 d . . .
F3 F 0.6098(3) 0.8302(3) 0.1546(2) 0.0444(5) Uani 1 1 d . . .
F4 F 0.9198(4) 0.7597(4) 0.1638(3) 0.0733(9) Uani 1 1 d . . .
F5 F 1.0065(4) 0.9226(3) 0.8185(2) 0.0587(7) Uani 1 1 d . . .
F6 F 0.9961(4) 0.9556(3) 0.6347(3) 0.0516(6) Uani 1 1 d . . .
F7 F 0.7126(3) 0.8455(2) 0.6844(2) 0.0394(5) Uani 1 1 d . . .
F8 F 0.9640(4) 0.6882(3) 0.6408(3) 0.0424(6) Uani 1 1 d . . .
N1 N 1.3277(4) -0.1986(3) 0.5082(2) 0.0247(5) Uani 1 1 d . . .
H1C H 1.2452 -0.1373 0.5540 0.030 Uiso 1 1 d R . .
H1D H 1.4440 -0.1821 0.5599 0.030 Uiso 1 1 d R . .
N2 N 1.3733(4) 0.3480(3) 0.5004(3) 0.0289(6) Uani 1 1 d . A .
N3 N 0.9233(7) 0.4249(7) 0.2765(5) 0.0328(10) Uani 0.552(6) 1 d PD A 1
H3A H 0.8790 0.3248 0.2838 0.039 Uiso 0.552(6) 1 d PR A 1
H3B H 0.9559 0.3974 0.1997 0.039 Uiso 0.552(6) 1 d PR A 1
N3A N 0.8993(8) 0.3791(8) 0.3241(6) 0.0328(10) Uani 0.448(6) 1 d PD A 2
H3A1 H 0.9178 0.3033 0.2480 0.039 Uiso 0.448(6) 1 calc PR A 2
H3A2 H 0.8438 0.3149 0.3651 0.039 Uiso 0.448(6) 1 calc PR A 2
N4 N 0.2539(4) 0.3799(3) 0.0938(2) 0.0253(5) Uani 1 1 d . A .
N5 N -0.2466(4) 0.4039(3) -0.0987(2) 0.0270(6) Uani 1 1 d . . .
N6 N -0.7512(4) 0.6956(4) -0.0784(3) 0.0311(6) Uani 1 1 d . . .
H6A H -0.8334 0.7644 -0.0947 0.037 Uiso 1 1 d R . .
H6B H -0.6524 0.7624 -0.0151 0.037 Uiso 1 1 d R . .
C1 C 1.3641(6) -0.1299(4) 0.4110(3) 0.0321(7) Uani 1 1 d . . .
H1A H 1.2380 -0.1534 0.3512 0.039 Uiso 1 1 calc R . .
H1B H 1.4620 -0.1911 0.3639 0.039 Uiso 1 1 calc R . .
C2 C 1.4415(5) 0.0619(4) 0.4643(3) 0.0259(7) Uani 1 1 d . A .
C3 C 1.3155(5) 0.1760(4) 0.4558(3) 0.0281(7) Uani 1 1 d . . .
H3 H 1.1805 0.1305 0.4162 0.034 Uiso 1 1 calc R A .
C4 C 1.5631(5) 0.4090(4) 0.5562(3) 0.0274(7) Uani 1 1 d . . .
H4 H 1.6068 0.5302 0.5883 0.033 Uiso 1 1 calc R A .
C5 C 1.6987(5) 0.3044(4) 0.5694(3) 0.0281(7) Uani 1 1 d . A .
H5 H 1.8323 0.3534 0.6106 0.034 Uiso 1 1 calc R . .
C6 C 1.6385(5) 0.1279(4) 0.5223(3) 0.0281(7) Uani 1 1 d . . .
H6 H 1.7299 0.0532 0.5294 0.034 Uiso 1 1 calc R A .
C7 C 0.7558(7) 0.4877(6) 0.3010(5) 0.0730(19) Uani 1 1 d D . .
H7A H 0.7699 0.6027 0.2949 0.088 Uiso 1 1 calc R A 1
H7B H 0.7483 0.5063 0.3894 0.088 Uiso 1 1 calc R A 1
C8 C 0.5578(5) 0.3859(5) 0.2222(4) 0.0391(9) Uani 1 1 d . A .
C9 C 0.4342(5) 0.4589(4) 0.1595(3) 0.0281(7) Uani 1 1 d . . .
H9 H 0.4801 0.5718 0.1634 0.034 Uiso 1 1 calc R A .
C10 C 0.1909(5) 0.2189(4) 0.0874(3) 0.0263(6) Uani 1 1 d . . .
H10 H 0.0628 0.1607 0.0404 0.032 Uiso 1 1 calc R A .
C11 C 0.3042(5) 0.1365(4) 0.1460(3) 0.0300(7) Uani 1 1 d . A .
H11 H 0.2550 0.0231 0.1396 0.036 Uiso 1 1 calc R . .
C12 C 0.4896(6) 0.2187(5) 0.2140(4) 0.0403(9) Uani 1 1 d . . .
H12 H 0.5704 0.1629 0.2549 0.048 Uiso 1 1 calc R A .
C13 C -0.3399(5) 0.2420(4) -0.1275(3) 0.0299(7) Uani 1 1 d . . .
H13 H -0.2652 0.1601 -0.1129 0.036 Uiso 1 1 calc R . .
C14 C -0.5400(5) 0.1909(4) -0.1774(3) 0.0310(7) Uani 1 1 d . . .
H14 H -0.6020 0.0762 -0.1948 0.037 Uiso 1 1 calc R . .
C15 C -0.6496(6) 0.3056(5) -0.2018(3) 0.0301(8) Uani 1 1 d . . .
H15 H -0.7872 0.2711 -0.2379 0.036 Uiso 1 1 calc R . .
C16 C -0.5552(5) 0.4743(4) -0.1726(3) 0.0260(6) Uani 1 1 d . . .
C17 C -0.3530(5) 0.5159(4) -0.1210(3) 0.0263(6) Uani 1 1 d . . .
H17 H -0.2877 0.6305 -0.1006 0.032 Uiso 1 1 calc R . .
C18 C -0.6649(5) 0.6117(5) -0.1901(3) 0.0343(7) Uani 1 1 d . . .
H18A H -0.5718 0.6987 -0.2043 0.041 Uiso 1 1 calc R . .
H18B H -0.7724 0.5594 -0.2646 0.041 Uiso 1 1 calc R . .
B1 B 0.8105(7) 0.8871(7) 0.1682(4) 0.0460(12) Uani 1 1 d . . .
B2 B 0.9168(5) 0.8509(4) 0.6924(3) 0.0261(7) 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 N5 2.236(3) . ?
Ag1 N4 2.245(3) . ?
Ag1 N6 2.265(3) 1_655 ?
Ag2 N3A 2.211(5) . ?
Ag2 N1 2.245(2) 1_565 ?
Ag2 N2 2.261(3) . ?
Ag2 N3 2.289(5) . ?
F1 B1 1.373(5) . ?
F2 B1 1.376(6) . ?
F3 B1 1.375(5) . ?
F4 B1 1.362(7) . ?
F5 B2 1.394(4) . ?
F6 B2 1.389(4) . ?
F7 B2 1.384(4) . ?
F8 B2 1.376(4) . ?
N1 C1 1.474(4) . ?
N1 Ag2 2.245(2) 1_545 ?
N1 H1C 0.9000 . ?
N1 H1D 0.9001 . ?
N2 C4 1.334(4) . ?
N2 C3 1.344(4) . ?
N3 C7 1.335(8) . ?
N3 H3A 0.9000 . ?
N3 H3B 0.9000 . ?
N3A C7 1.475(8) . ?
N3A H3A 0.5136 . ?
N3A H3A1 0.9200 . ?
N3A H3A2 0.9200 . ?
N4 C9 1.330(4) . ?
N4 C10 1.348(4) . ?
N5 C17 1.327(4) . ?
N5 C13 1.344(4) . ?
N6 C18 1.468(5) . ?
N6 Ag1 2.265(3) 1_455 ?
N6 H6A 0.9000 . ?
N6 H6B 0.9000 . ?
C1 C2 1.511(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.379(5) . ?
C2 C6 1.387(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.380(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.512(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.378(5) . ?
C8 C12 1.399(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.366(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.371(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.376(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.369(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.395(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.391(4) . ?
C16 C18 1.503(5) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
