#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/01/7100152.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_7100152
loop_
_publ_author_name
'T. C. W. Mak'
'Xu-Dong Chen'
_publ_section_title
;
Order of coordinating ability of polyatomic monoanions
established from their interaction with a disilver(I) metallacyclophane
skeleton
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b505919d
_journal_year                    2005
_chemical_formula_sum            'C11 H8 Ag B F4 N2 O'
_chemical_formula_weight         378.87
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.8368(4)
_cell_length_b                   15.0948(7)
_cell_length_c                   20.6056(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2437.5(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.065
_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               7100152
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'
'-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
O1 O 0.2707(7) 0.4438(3) 0.2628(2) 0.0566(13) Uani 1 1 d . . .
Ag1 Ag 0.44803(7) 0.33118(3) 0.45388(2) 0.0442(2) Uani 1 1 d . . .
N1 N 0.4848(6) 0.2824(3) 0.3533(2) 0.0317(10) Uani 1 1 d . . .
N2 N 0.5099(6) 0.5950(3) 0.4566(2) 0.0337(11) Uani 1 1 d . . .
C1 C 0.5436(9) 0.1990(4) 0.3469(3) 0.0456(15) Uani 1 1 d . . .
H1A H 0.5755 0.1685 0.3842 0.055 Uiso 1 1 calc R . .
C2 C 0.5587(10) 0.1569(4) 0.2889(4) 0.0543(18) Uani 1 1 d . . .
H2A H 0.5994 0.0991 0.2870 0.065 Uiso 1 1 calc R . .
C3 C 0.5134(10) 0.2006(5) 0.2333(3) 0.0567(19) Uani 1 1 d . . .
H3A H 0.5248 0.1735 0.1930 0.068 Uiso 1 1 calc R . .
C4 C 0.4504(9) 0.2857(4) 0.2381(3) 0.0465(16) Uani 1 1 d . . .
H4A H 0.4164 0.3164 0.2012 0.056 Uiso 1 1 calc R . .
C5 C 0.4386(7) 0.3247(4) 0.2990(3) 0.0359(13) Uani 1 1 d . . .
C6 C 0.3698(8) 0.4171(4) 0.3035(2) 0.0344(13) Uani 1 1 d . . .
C7 C 0.6273(8) 0.5445(4) 0.4277(3) 0.0333(12) Uani 1 1 d . . .
H7A H 0.7403 0.5497 0.4411 0.040 Uiso 1 1 calc R . .
C8 C 0.5891(7) 0.4847(4) 0.3790(2) 0.0306(12) Uani 1 1 d . . .
H8A H 0.6743 0.4498 0.3608 0.037 Uiso 1 1 calc R . .
C9 C 0.4213(7) 0.4775(3) 0.3576(2) 0.0281(12) Uani 1 1 d . . .
C10 C 0.3010(7) 0.5321(4) 0.3860(3) 0.0358(13) Uani 1 1 d . . .
H10A H 0.1883 0.5306 0.3720 0.043 Uiso 1 1 calc R . .
C11 C 0.3487(8) 0.5885(4) 0.4349(3) 0.0359(13) Uani 1 1 d . . .
H11A H 0.2655 0.6239 0.4540 0.043 Uiso 1 1 calc R . .
B1 B 0.4962(9) 0.1541(5) 0.5613(3) 0.0371(15) Uani 1 1 d . . .
F1 F 0.6213(6) 0.1934(4) 0.5957(3) 0.0992(18) Uani 1 1 d . . .
F2 F 0.3492(6) 0.2024(3) 0.5627(3) 0.0812(14) Uani 1 1 d . . .
F3 F 0.4615(7) 0.0748(4) 0.5892(4) 0.117(2) Uani 1 1 d . . .
F4 F 0.5504(8) 0.1475(5) 0.4999(2) 0.115(2) 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
O1 C6 1.212(7) . ?
Ag1 N2 2.180(4) 5_666 ?
Ag1 N1 2.217(4) . ?
N1 C5 1.338(7) . ?
N1 C1 1.348(8) . ?
N2 C7 1.335(7) . ?
N2 C11 1.343(8) . ?
N2 Ag1 2.180(4) 5_666 ?
C1 C2 1.358(9) . ?
C2 C3 1.369(10) . ?
C3 C4 1.379(10) . ?
C4 C5 1.390(8) . ?
C5 C6 1.498(8) . ?
C6 C9 1.494(7) . ?
C7 C8 1.384(7) . ?
C8 C9 1.391(8) . ?
C9 C10 1.382(8) . ?
C10 C11 1.372(8) . ?
B1 F4 1.338(8) . ?
B1 F1 1.348(8) . ?
B1 F3 1.356(9) . ?
B1 F2 1.364(8) . ?
