#------------------------------------------------------------------------------
#$Date: 2011-09-28 16:24:46 +0200 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/00/2100035.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_2100035
_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  10.3654
_cell_length_b  12.1845
_cell_length_c  7.5077
_cell_angle_alpha  92.50
_cell_angle_beta  97.77
_cell_angle_gamma  93.56
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  O1 0.48450 0.35900 0.93550 O
  O2 0.14500 0.40900 0.50150 O
  O3 0.28250 0.63450 0.83700 O
  N1 0.29600 0.36000 0.73600 N
  C1 0.42800 0.38400 0.79350 C
  C2 0.48000 0.44500 0.64850 C
  C3 0.39300 0.51500 0.36200 C
  C4 0.37700 0.46000 0.51500 C
  C5 0.25550 0.40950 0.57250 C
  C6 0.20600 0.31650 0.85050 C
  C7 0.17250 0.20350 0.85800 C
  C8 0.09050 0.17700 0.98400 C
  C9 0.04100 0.25500 1.09050 C
  C10 0.07150 0.36400 1.07400 C
  C11 0.15400 0.39500 0.95300 C
  C12 0.22200 0.11150 0.74300 C
  C13 0.21700 0.13950 0.54450 C
  C14 0.13700 0.00350 0.74350 C
  C15 0.36000 0.09050 0.82300 C
  C16 0.28650 0.69450 0.68850 C
  C17 0.17750 0.68450 0.55850 C
  C18 0.17650 0.74200 0.40550 C
  C19 0.28200 0.81050 0.37600 C
  C20 0.38950 0.82050 0.50950 C
  C21 0.39300 0.76300 0.66400 C
  C22 0.27900 0.87400 0.20800 C
  H1 0.32250 0.52530 0.27085 H
  H2 0.06775 0.10115 0.99840 H
  H3 -0.01405 0.23225 1.17570 H
  H4 0.03560 0.41835 1.14420 H
  H5 0.17610 0.47045 0.94075 H
  H6 0.27040 0.20535 0.53815 H
  H7 0.25100 0.08105 0.48075 H
  H8 0.13080 0.14890 0.49475 H
  H9 0.04980 0.01370 0.69435 H
  H10 0.17055 -0.05255 0.67485 H
  H11 0.13880 -0.01835 0.86460 H
  H12 0.36075 0.07000 0.94400 H
  H13 0.39100 0.03260 0.75510 H
  H14 0.41545 0.15520 0.82135 H
  H15 0.10360 0.63830 0.57565 H
  H16 0.10180 0.73385 0.31660 H
  H17 0.46310 0.86760 0.49295 H
  H18 0.46805 0.77070 0.75285 H
  H22 0.35560 0.63810 0.92900 H
_cod_database_code 2100035