#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1100115.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_1100115
_chemical_formula_sum            'C8 H22 Al F5 N2'
_[local]_cod_chemical_formula_sum_orig 'C8 H22 Al1 F5 N2'
_chemical_formula_moiety
;
(C8 H22 N2 2+)n,n(Al1 F5 2-)
;
_journal_volume 4
_journal_year 2002
_journal_page_first 1213
_journal_name_full 'Solid State Sciences '
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
_publ_author_name
"E.Goreshnik"
"M.Leblanc"
"E.Gaudin"
"F.Taulelle"
"V.Maisonneuve"
_chemical_name_systematic
;
catena-(1,8-Octanediammonium (\m~2~-fluoro)-tetrafluoro-aluminium)
;
_cell_volume    636.053
_exptl_crystal_density_diffrn 1.403
_exptl_crystal_description 'platelets'
_diffrn_ambient_temperature ?
_diffrn_special_details
;
The study was carried out at room temperature,in the range 283-303K

;
_refine_ls_R_factor_gt 0.0755
_refine_ls_wR_factor_gt 0.0755
_symmetry_cell_setting monoclinic
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
_cell_length_a 7.887(6)
_cell_length_b 5.502(5)
_cell_length_c 15.812(3)
_cell_angle_alpha 90
_cell_angle_beta 112.03(4)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
Al 1.35
F 0.64
N 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1 Al 0.3251(2) 0.00000 -0.0344(1)
F1 F 0.3408(5) -0.024(1) 0.0820(2)
F2 F 0.3409(5) 0.022(1) -0.1441(2)
F3 F 0.4953(9) 0.255(1) 0.0049(4)
F4 F 0.1532(7) 0.232(1) -0.0587(3)
F5 F 0.1524(6) -0.226(1) -0.0734(3)
N1 N 0.1914(7) 0.5268(13) 0.0883(3)
N2 N 0.2837(7) 0.5041(14) 0.8213(3)
C1 C 0.268(1) 0.418(2) 0.1814(5)
C2 C 0.210(1) 0.560(2) 0.2479(4)
C3 C 0.291(1) 0.452(2) 0.3437(4)
C4 C 0.2112(11) 0.575(2) 0.4082(5)
C5 C 0.2915(11) 0.462(2) 0.5046(5)
C6 C 0.211(1) 0.570(2) 0.5691(5)
C7 C 0.287(1) 0.468(2) 0.6650(4)
C8 C 0.197(1) 0.580(2) 0.7257(4)
Al1A* Al 0.6749(2) 0.50000 0.0344(1)
F3A* F 0.5047(9) -0.245(1) -0.0049(4)