#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100093.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_2100093
_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  7.5040
_cell_length_b  8.9590
_cell_length_c  9.5860
_cell_angle_alpha  104.20
_cell_angle_beta  109.30
_cell_angle_gamma  89.90
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  I1 0.66960 0.35145 0.34830 I
  O1 0.87790 0.67110 0.67950 O
  N1 0.21455 0.11395 0.09895 N
  N2 0.20395 0.03845 -0.15545 N
  N3 0.30115 -0.13925 0.03310 N
  C1 0.18615 0.14790 -0.04020 C
  C2 0.14065 0.29555 -0.05280 C
  C3 0.10705 0.32710 -0.19315 C
  C4 0.12660 0.21440 -0.31265 C
  C5 0.17650 0.07185 -0.29055 C
  C6 0.27235 -0.01955 0.13725 C
  C7 0.29970 -0.03155 0.28505 C
  C8 0.35695 -0.16745 0.32175 C
  C9 0.38950 -0.28680 0.21460 C
  C10 0.35910 -0.27155 0.06915 C