#------------------------------------------------------------------------------
#$Date: 2012-07-05 12:22:01 +0300 (Thu, 05 Jul 2012) $
#$Revision: 61762 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507773.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_1507773
loop_
_publ_author_name
'Stahl, K'
'Brink, B'
'Andersen, J'
_publ_section_title
;
 Structure determination of a novel metal-organic compound synthesized
 from aluminum and 2,5-pyridinedicarboxylic acid
;
_journal_name_full
;
Powder Diffraction
;
_journal_page_first              S44
_journal_page_last               S46
_journal_volume                  26(S1)
_journal_year                    2011
_chemical_formula_sum            'C7 H6 Al N O6'
_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                95.257(1)
_cell_angle_beta                 102.478(1)
_cell_angle_gamma                108.979(1)
_cell_formula_units_Z            2
_cell_length_a                   6.7813(1)
_cell_length_b                   7.4944(1)
_cell_length_c                   8.5013(1)
_cell_measurement_temperature    293
_cell_volume                     392.733(10)
_diffrn_ambient_temperature      293
_[local]_cod_data_source_file    PD-2011-26-S1-S44.cif
_[local]_cod_data_source_block   C7H6AlNO6
_cod_database_code               1507773
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al1 0.2013(5) 0.1529(4) 0.5291(3) 0.0515(9)
C1 0.2500(8) 0.1244(8) 0.8971(6) 0.0206(5)
C2 0.2458(9) 0.1989(9) 1.0622(8) 0.0206(5)
C3 0.2225(8) 0.3740(8) 1.0812(7) 0.0206(5)
C4 0.2407(7) 0.4843(7) 0.9628(7) 0.0206(5)
C5 0.2313(9) 0.4219(10) 0.8040(8) 0.0206(5)
C6 0.2550(10) 0.0619(8) 1.1882(8) 0.0206(5)
C7 0.2512(9) 0.5323(8) 0.6600(7) 0.0206(5)
N1 0.2421(7) 0.2354(6) 0.7843(6) 0.0206(5)
O1 0.3082(5) -0.0704(5) 1.1760(5) 0.0206(5)
O2 0.2212(6) 0.1511(5) 1.3129(4) 0.0206(5)
O3 0.2742(6) 0.6932(5) 0.6970(4) 0.0206(5)
O4 0.2571(5) 0.4251(5) 0.5405(4) 0.0206(5)
O5 0.8944(5) 0.1041(6) 0.4704(4) 0.0206(5)
O6 0.5202(5) 0.2048(4) 0.5903(4) 0.0206(5)
H1 0.2649 0.0035 0.8732 0.0380
H3 0.1935 0.4213 1.1784 0.0380
H4 0.2662 0.6175 0.9966 0.0380