#------------------------------------------------------------------------------
#$Date: 2010-10-21 18:43:23 +0100 (Thu, 21 Oct 2010) $
#$Revision: 1653 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100017.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_2100017
_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  14.8900
_cell_length_b  7.9680
_cell_length_c  4.8440
_cell_angle_alpha  81.51
_cell_angle_beta  84.22
_cell_angle_gamma  82.93
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Pd 0.50000 0.00000 0.50000 Pd
  Cl 0.40370 0.16725 0.19800 Cl
  N1 0.58995 0.17250 0.40500 N
  O2 0.80535 0.56300 -0.09300 O
  C3 0.70550 0.42250 0.25450 C
  C4 0.76850 0.55600 0.14300 C
  O3 0.98610 0.84100 0.29100 O
  N3 0.78200 0.66150 0.32100 N
  N6 1.07050 0.80850 0.40300 N
  C5 0.58090 0.31200 0.53400 C
  C7 0.64150 0.43550 0.45950 C
  C15 0.84100 0.79500 0.24450 C
  C11 0.65250 0.16100 0.19900 C
  O4 1.12020 0.90250 0.31650 O
  C13 0.71290 0.27950 0.11450 C
  C16 0.93750 0.73200 0.34450 C
  O7 1.07650 0.70200 0.60500 O
  H1 0.77500 0.65000 0.45500 H
  H2 0.53850 0.30000 0.69000 H
  H5 0.63500 0.49000 0.59500 H
  H14 0.82500 0.84500 0.06500 H
  H13 0.82450 0.88500 0.39500 H
  H10 0.65050 0.09950 0.09500 H
  H12 0.75950 0.26500 -0.05000 H
_cod_database_code 2100017