#------------------------------------------------------------------------------
#$Date: 2012-07-03 16:49:27 +0300 (Tue, 03 Jul 2012) $
#$Revision: 61368 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507765.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_1507765
loop_
_publ_author_name
'Adil, K'
'Le Bail, A'
'Dujardin, G'
'Maisonneuve, V'
_publ_section_title
;
 A new 1D hybrid fluoroaluminate templated by an original tetramine
;
_journal_name_full               Polyhedron
_journal_page_first              2493
_journal_page_last               2497
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C6 H20 Al2 F10 N4'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 128.777(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   8.5280(7)
_cell_length_b                   7.3938(6)
_cell_length_c                   13.2368(11)
_cell_measurement_temperature    293(2)
_cell_volume                     650.67(9)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293(2)
_[local]_cod_data_source_file    H4ten-Al.cif
_[local]_cod_data_source_block   H4ten-Al
_[local]_cod_cif_authors_sg_H-M  'P 2/c'
_[local]_cod_chemical_formula_sum_orig 'C6 N4 H20 Al2 F10'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               1507765
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
Al1 0.00000 0.50000 0.50000 0.074(3) 1.00000
Al2 0.00000 0.00000 0.50000 0.074(3) 1.00000
F1 0.2399(9) 0.4772(14) 0.5360(7) 0.069(2) 1.00000
F2 0.0254(13) 0.2549(7) 0.4881(9) 0.069(2) 1.00000
F3 0.1136(11) 0.4690(14) 0.6577(7) 0.069(2) 1.00000
F4 0.0212(12) 0.0196(13) 0.3719(6) 0.069(2) 1.00000
F5 0.2699(9) 0.0216(15) 0.6176(6) 0.069(2) 1.00000
C1 0.4920(16) 0.0904(12) 0.5144(7) 0.136(4) 1.00000
C2 0.5867(11) 0.2410(17) 0.6214(9) 0.136(4) 1.00000
C3 0.3438(13) 0.1784(14) 0.3812(8) 0.136(4) 1.00000
N1 0.7818(12) 0.2811(13) 0.6498(9) 0.136(4) 1.00000
N2 0.4460(15) 0.2448(13) 0.3261(9) 0.136(4) 1.00000
H1 0.759(2) 0.356(2) 0.5881(9) 0.136(4) 1.00000
H2 0.865(2) 0.335(2) 0.7261(8) 0.136(4) 1.00000
H3 0.835(3) 0.1795(17) 0.647(2) 0.136(4) 1.00000
H4 0.271(4) 0.091(3) 0.3192(16) 0.136(4) 1.00000
H5 0.510(2) 0.266(5) 0.644(2) 0.136(4) 1.00000
H6 0.495(3) 0.1532(18) 0.312(2) 0.136(4) 1.00000
H7 0.355(2) 0.305(2) 0.2527(13) 0.136(4) 1.00000
H8 0.540(2) 0.325(2) 0.3823(15) 0.136(4) 1.00000
H9 0.706(2) 0.201(5) 0.6937(19) 0.136(4) 1.00000
H10 0.244(4) 0.237(4) 0.3782(18) 0.136(4) 1.00000