#------------------------------------------------------------------------------
#$Date: 2011-09-28 16:24:46 +0200 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/01/2100124.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_2100124
_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  7.5440
_cell_length_b  11.0990
_cell_length_c  12.2580
_cell_angle_alpha  65.92
_cell_angle_beta  72.26
_cell_angle_gamma  76.24
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Cu1 0.42569 0.47861 0.65044 Cu
  Cl1 0.33880 0.36740 0.56055 Cl
  S1 0.64705 0.31695 0.72670 S
  N1 0.21585 0.62880 0.62865 N
  N2 0.48125 0.57195 0.74225 N
  N3 0.62815 0.52590 0.79700 N
  N4 0.85570 0.35385 0.84910 N
  C1 0.07200 0.64800 0.57800 C
  H1 0.06840 0.58850 0.54385 H
  C2 -0.06800 0.75160 0.57515 C
  H2 -0.16630 0.76125 0.53995 H
  C3 -0.06350 0.84025 0.62390 C
  H3 -0.15775 0.91120 0.62180 H
  C4 0.08500 0.82400 0.67750 C
  H4 0.08950 0.88275 0.71275 H
  C5 0.22300 0.71875 0.67635 C
  C6 0.38600 0.68790 0.73300 C
  C7 0.43150 0.78640 0.76890 C
  C8 0.42900 0.91920 0.69155 C
  H5 0.39780 0.94610 0.61655 H
  C9 0.47200 1.01155 0.72510 C
  H6 0.47295 1.09975 0.67155 H
  C10 0.51300 0.97290 0.83680 C
  H7 0.53680 1.03585 0.86030 H
  C11 0.51850 0.84275 0.91455 C
  H8 0.54970 0.81730 0.98910 H
  C12 0.47750 0.74995 0.88085 C
  H9 0.48080 0.66155 0.93400 H
  C13 0.71000 0.40550 0.79520 C
  C14 0.91350 0.41975 0.91315 C
  C15 1.07800 0.32440 0.95550 C
  C16 1.06000 0.19305 0.96185 C
  C17 0.96050 0.21830 0.86080 C
_cod_database_code 2100124