#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2100022.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_2100022
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  359
_journal_page_last  359
loop_
_publ_author_name
  'Richard E. Marsh'
_publ_section_title
;
Space group P1: an update
;
_[local]_cod_chemical_formula_sum_orig 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  8.2780
_cell_length_b  8.8263
_cell_length_c  9.1436
_cell_angle_alpha  68.31
_cell_angle_beta  70.64
_cell_angle_gamma  76.00
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Ni1 0.50000 0.00000 0.50000 Ni
  N1 0.55990 0.02640 0.25395 N
  H1 0.47700 -0.01535 0.24115 H
  N2 0.68715 -0.20915 0.50630 N
  H2 0.78515 -0.17170 0.49515 H
  N5 0.29655 -0.12735 0.53605 N
  O1 0.04680 -0.20935 0.53960 O
  C1 0.17395 -0.16565 0.53745 C
  C3 0.72460 -0.08000 0.21330 C
  H5 0.81795 -0.02655 0.20860 H
  C4 0.76245 -0.10605 0.04960 C
  H6 0.66690 -0.15035 0.04810 H
  H7 0.77265 -0.00085 -0.03625 H
  C5 0.92910 -0.22340 0.01580 C
  H8 0.94515 -0.24265 -0.08600 H
  H9 1.02650 -0.17330 0.00455 H
  C6 0.92350 -0.38595 0.15280 C
  H10 1.03275 -0.45615 0.13135 H
  H11 0.83300 -0.44100 0.15710 H
  C7 0.88965 -0.35990 0.31450 C
  H12 0.98515 -0.31350 0.31275 H
  H13 0.88315 -0.46490 0.40010 H
  C8 0.72235 -0.24455 0.35230 C
  H14 0.62640 -0.29640 0.36020 H
  C9 0.67485 -0.35455 0.65770 C
  H15 0.79105 -0.41675 0.65070 H
  C10 0.55880 -0.46880 0.67400 C
  H16 0.59700 -0.50455 0.57940 H
  H17 0.44275 -0.41285 0.68350 H
  H18 0.56190 -0.56255 0.76980 H
  C11 0.62645 -0.29440 0.80525 C
  H19 0.71015 -0.22455 0.78635 H
  H20 0.63915 -0.38945 0.89935 H
  C12 0.44570 -0.19930 0.85030 C
  H21 0.36190 -0.24990 0.83725 H
  H22 0.41520 -0.20445 0.96370 H
_cod_database_code 2100022