#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100071.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_2100071
_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
;
_chemical_formula_sum 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  9.2694
_cell_length_b  9.4267
_cell_length_c  9.6076
_cell_angle_alpha  76.00
_cell_angle_beta  62.89
_cell_angle_gamma  89.87
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  O1 -0.81100 0.13310 0.59385 O
  O2 -0.87620 0.19875 0.40335 O
  N1 -0.77660 0.18100 0.45265 N
  C1 -0.60075 0.21970 0.33215 C
  C2 -0.48490 0.19425 0.38325 C
  H1 -0.51585 0.15215 0.49470 H
  C3 -0.32265 0.23090 0.26990 C
  H2 -0.24095 0.21260 0.30345 H
  C4 -0.27710 0.29405 0.10730 C
  C5 -0.39695 0.31855 0.05980 C
  H3 -0.36675 0.36140 -0.05140 H
  C6 -0.56090 0.28140 0.17230 C
  H4 -0.64330 0.29805 0.13960 H
  C7 -0.10070 0.33000 -0.01230 C
  C8 -0.04840 0.41850 -0.18505 C
  H5 -0.05135 0.35635 -0.24695 H
  H6 0.05875 0.46660 -0.23310 H
  H7 -0.11880 0.49010 -0.18700 H
  N2 -0.00070 0.27905 0.03810 N
  N3 0.16460 0.31540 -0.07545 N
  C9 0.25170 0.20915 -0.08090 C
  C10 0.18355 0.05425 0.01910 C
  H8 0.16575 -0.00155 -0.04310 H
  H9 0.08255 0.05280 0.11175 H
  H10 0.25770 0.00995 0.05430 H
  C11 0.42705 0.24565 -0.19850 C
  C12 0.53435 0.13980 -0.21900 C
  H11 0.49390 0.04090 -0.15505 H
  C13 0.69770 0.17450 -0.32950 C
  H12 0.76790 0.09980 -0.34055 H
  C14 0.75940 0.31570 -0.42365 C
  H13 0.87220 0.33970 -0.49960 H
  C15 0.65630 0.42220 -0.40715 C
  H14 0.69820 0.52045 -0.47255 H
  C16 0.49200 0.38840 -0.29615 C
  H15 0.42260 0.46380 -0.28660 H