#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100024.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_2100024
_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  10.1701
_cell_length_b  12.2024
_cell_length_c  12.3950
_cell_angle_alpha  75.76
_cell_angle_beta  69.47
_cell_angle_gamma  73.75
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  S1 0.60821 0.32726 0.49578 S
  S2 0.63607 0.43382 0.32865 S
  S3 0.69069 0.57836 0.12044 S
  O1 0.90070 0.67915 0.09870 O
  N1 0.79795 0.45980 0.44715 N
  N2 0.83845 0.56720 0.26695 N
  N3 0.75500 0.34940 0.63020 N
  N4 0.67345 0.27115 0.71155 N
  C1 0.72935 0.38005 0.53070 C
  C2 0.76695 0.49190 0.34885 C
  C3 0.81085 0.60750 0.16725 C
  C4 0.89080 0.73680 -0.01200 C
  C5 0.77830 0.82925 -0.02265 C
  C6 0.77855 0.88980 -0.13145 C
  C7 0.88965 0.86125 -0.23035 C
  C8 1.00010 0.77040 -0.21655 C
  C9 1.00130 0.70625 -0.10670 C
  C10 0.89710 0.92810 -0.35485 C
  C11 0.72150 0.22215 0.80890 C
  C12 0.86725 0.19115 0.79725 C
  C13 0.91265 0.14220 0.89435 C
  C14 0.81930 0.12030 0.99975 C
  C15 0.67425 0.14800 1.01280 C
  C16 0.62635 0.19815 0.91665 C
  N9 1.12440 0.50480 1.29705 N
  C33 1.20195 0.50415 1.17115 C
  C34 1.35980 0.45440 1.15530 C
  C35 1.38750 0.33580 1.22545 C
  C36 1.30500 0.33950 1.35235 C
  C37 1.14710 0.38700 1.37000 C
  H1 0.70073 0.85242 0.04584 H
  H2 0.69402 0.95395 -0.13944 H
  H3 1.08168 0.75093 -0.28538 H
  H4 1.07875 0.63916 -0.09695 H
  H5 0.93672 0.20441 0.72119 H
  H6 1.01248 0.12264 0.88786 H
  H7 0.85327 0.08219 1.06697 H
  H8 0.60132 0.13427 1.08951 H
  H9 0.52391 0.21623 0.92667 H
  H10 0.80494 0.98962 -0.34850 H
  H11 0.97105 0.96316 -0.38864 H
  H12 0.89078 0.87898 -0.40149 H
  H25 1.18160 0.58333 1.12920 H
  H26 1.16504 0.45790 1.14239 H
  H27 1.40154 0.50366 1.17826 H
  H28 1.40594 0.45276 1.07396 H
  H29 1.48620 0.30239 1.21524 H
  H30 1.35131 0.28162 1.20004 H
  H31 1.34465 0.38756 1.37723 H
  H32 1.32120 0.26327 1.39749 H
  H33 1.10509 0.33560 1.35375 H
  H34 1.09965 0.39338 1.45386 H