#------------------------------------------------------------------------------
#$Date: 2010-10-21 19:43:23 +0200 (Thu, 21 Oct 2010) $
#$Revision: 1653 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100068.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_2100068
_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  11.3270
_cell_length_b  11.6140
_cell_length_c  9.8450
_cell_angle_alpha  102.59
_cell_angle_beta  114.16
_cell_angle_gamma  65.50
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Cd1 0.00000 0.00000 0.00000 Cd
  N1 -0.10319 -0.01368 0.13351 N
  N2 -0.01332 -0.17375 -0.12143 N
  C1 -0.09930 0.18217 0.29427 C
  C2 -0.15280 0.26822 0.41339 C
  C3 -0.11045 0.21625 0.55041 C
  C4 -0.16414 0.29758 0.65992 C
  C5 -0.25651 0.42318 0.63094 C
  C6 -0.29387 0.47141 0.49455 C
  C7 -0.24193 0.39435 0.38559 C
  C8 -0.14274 0.07641 0.23855 C
  C9 -0.23557 0.04598 0.28119 C
  C10 -0.25113 -0.06353 0.19508 C
  C11 -0.16830 -0.09789 0.10137 C
  C12 -0.16306 -0.19712 -0.00986 C
  C13 -0.24231 -0.28003 -0.02401 C
  C14 -0.38383 -0.24013 -0.10726 C
  C15 -0.45534 -0.32023 -0.12356 C
  C16 -0.38643 -0.43593 -0.05973 C
  C17 -0.24679 -0.47484 0.02310 C
  C18 -0.16662 -0.39785 0.04648 C
  C19 -0.09725 -0.22941 -0.11530 C
  C20 -0.10953 -0.32274 -0.23801 C
  C21 -0.03826 -0.31938 -0.32138 C
  C22 0.02379 -0.22339 -0.24361 C
  O1 -0.25980 0.10989 -0.19782 O
  C23 -0.37513 0.15415 -0.14356 C
  C24 -0.49593 0.24869 -0.24873 C
  O2 -0.53772 0.17855 -0.38969 O
  C25 -0.42672 0.13513 -0.45134 C
  C26 -0.29651 0.04132 -0.33935 C
_cod_database_code 2100068