#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100067.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_2100067
_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  8.8630
_cell_length_b  14.4620
_cell_length_c  7.5430
_cell_angle_alpha  103.39
_cell_angle_beta  113.31
_cell_angle_gamma  77.23
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Ru1 0.50000 0.50000 0.50000 Ru
  Cl1 0.52725 0.62470 0.35685 Cl
  S1 0.24385 0.49155 0.25070 S
  S2 0.60890 0.38660 0.29395 S
  O1 0.13285 0.58100 0.19490 O
  O2 0.71075 0.41515 0.20750 O
  C1 0.29100 0.42405 0.04040 C
  C2 0.42945 0.34150 0.09985 C
  C5 0.12055 0.41775 0.27850 C
  C6 0.71950 0.28025 0.38950 C
  H1 0.19180 0.39865 -0.05720 H
  H2 0.32580 0.46640 -0.01545 H
  H3 0.45935 0.30880 -0.01330 H
  H4 0.39130 0.29615 0.14565 H
  H9 0.07295 0.45215 0.37710 H
  H10 0.03060 0.40250 0.15350 H
  H11 0.18975 0.35815 0.32090 H
  H12 0.65405 0.25725 0.44495 H
  H13 0.73925 0.23090 0.28465 H
  H14 0.82575 0.29365 0.49205 H
  Ru2 0.00000 0.00000 0.00000 Ru
  Cl3 0.00885 0.07605 0.32160 Cl
  S5 0.22965 -0.11130 0.12065 S
  S6 -0.15560 -0.10885 0.00215 S
  O5 0.35980 -0.13445 0.03600 O
  O6 -0.25450 -0.16130 -0.18540 O
  C9 0.14560 -0.21935 0.08940 C
  C10 -0.00400 -0.19430 0.14900 C
  C13 0.33500 -0.08920 0.37950 C
  C14 -0.28470 -0.06465 0.14250 C
  H21 0.11305 -0.24975 -0.04830 H
  H22 0.23030 -0.26380 0.17105 H
  H23 0.02905 -0.16585 0.28760 H
  H24 -0.05260 -0.25250 0.12740 H
  H29 0.41315 -0.14635 0.42180 H
  H30 0.39580 -0.03475 0.41445 H
  H31 0.25410 -0.07440 0.44405 H
  H32 -0.22050 -0.03235 0.27175 H
  H33 -0.37830 -0.01895 0.07570 H
  H34 -0.32705 -0.11830 0.15800 H