#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004968.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_2004968
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1344
_journal_page_last     1346
_publ_section_title
;
Potassium Phthalimide
;
_chemical_formula_iupac     'K 1+, C8 H4 N1 O2 1-'
_chemical_formula_sum     'C8 H4 K N O2'
_chemical_formula_weight     185.22
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
_cell_length_a     3.8410(10)
_cell_length_b     27.234(3)
_cell_length_c     7.3616(8)
_cell_angle_alpha     90
_cell_angle_beta     102.090(14)
_cell_angle_gamma     90
_cell_volume     753.0(2)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.634
_cell_measurement_temperature     293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K 1  .50705(11)  .46998(2)  .25759(5)  .0363(2)
O1 1  .0764(4)  .41077(6)  .4152(2)  .0431(4)
O2 1 -0.1877(4)  .45104(5)  .9691(2)  .0394(4)
N 1  -.0849(4)  .44494(6)  .6722(2)  .0327(4)
C1 1  .0729(5)  .37709(7)  .8715(2)  .0296(4)
C2 1  .1350(5)  .34549(8) 1.0199(3)  .0373(5)
H2 1  .0890(5)  .35442(8) 1.1346(3)  .045
C3 1  .2702(6)  .29941(8)  .9905(3)  .0435(5)
H3 1  .3140(6)  .27685(8) 1.0874(3)  .052
C4 1  .3404(6)  .28653(8)  .8207(3)  .0442(5)
H4 1  .4301(6)  .25542(8)  .8055(3)  .053
C5 1  .2803(5)  .31898(7)  .6718(3)  .0376(5)
H5 1  .3287(5)  .31038(7)  .5573(3)  .045
C6 1  .1455(4)  .36453(7)  .7015(2)  .0293(4)
C7 1  .0472(5)  .40839(7)  .5788(3)  .0310(4)
C8 1  -.0791(5)  .42793(7)  .8475(3)  .0294(4)
_cod_database_code 2004968