#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100115.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_2100115
_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  10.3108
_cell_length_b  12.1191
_cell_length_c  12.3070
_cell_angle_alpha  62.14
_cell_angle_beta  66.18
_cell_angle_gamma  89.93
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  S1 0.66265 0.61080 0.23255 S
  N1 0.81190 0.65140 0.44705 N
  O1 0.70560 0.45365 0.50730 O
  O2 0.58510 0.48025 0.30430 O
  O3 0.61830 0.70930 0.14225 O
  O4 1.06510 0.80165 0.23090 O
  O5 0.99200 0.97390 0.19345 O
  C1 0.72400 0.57025 0.44625 C
  C2 0.65080 0.64865 0.35915 C
  H1 0.54715 0.63020 0.42195 H
  C3 0.71645 0.79000 0.30020 C
  H2 0.77735 0.82760 0.20085 H
  C4 0.81860 0.78495 0.36330 C
  H3 0.78085 0.82075 0.42365 H
  C5 0.88280 0.60805 0.53620 C
  H4 0.98705 0.62545 0.48025 H
  H5 0.84720 0.51615 0.59895 H
  C6 0.85385 0.67430 0.61850 C
  C7 0.96485 0.76175 0.58830 C
  H6 1.05640 0.77930 0.51705 H
  C8 0.94500 0.82490 0.66005 C
  H7 1.02235 0.88240 0.63980 H
  C9 0.81250 0.80155 0.75845 C
  H8 0.79780 0.84695 0.80425 H
  C10 0.69710 0.71265 0.79600 C
  H9 0.60650 0.69565 0.86830 H
  C11 0.71895 0.64895 0.72210 C
  H10 0.64220 0.58980 0.74355 H
  C12 0.84820 0.62180 0.13910 C
  C13 0.93260 0.73460 0.01685 C
  H11 0.89185 0.80390 -0.01515 H
  C14 1.07805 0.74255 -0.05725 C
  H12 1.13530 0.81865 -0.13870 H
  C15 1.13950 0.64115 -0.01305 C
  C16 1.05465 0.52945 0.10750 C
  H13 1.09585 0.45995 0.13825 H
  C17 0.90875 0.51860 0.18400 C
  H14 0.85190 0.44205 0.26520 H
  C18 1.30005 0.65285 -0.09795 C
  H15 1.34165 0.73700 -0.17855 H
  H16 1.30945 0.58975 -0.12530 H
  H17 1.35025 0.63910 -0.04350 H
  C19 0.96820 0.86285 0.25340 C
  C20 1.21470 0.87225 0.12095 C
  H18 1.21910 0.89180 0.03670 H
  H19 1.23960 0.94900 0.11550 H
  C21 1.30960 0.80515 0.13935 C
  H20 1.40590 0.85290 0.06665 H
  H21 1.28745 0.73000 0.14090 H
  H22 1.30425 0.78430 0.22400 H
  C22 0.60080 0.87125 0.31800 C
  C23 0.49735 0.84485 0.41135 C
  C24 0.39150 0.93985 0.41750 C