#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2100025.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_2100025
_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  7.9009
_cell_length_b  9.3964
_cell_length_c  15.9253
_cell_angle_alpha  77.99
_cell_angle_beta  77.34
_cell_angle_gamma  82.23
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Pd1 0.50000 0.00000 0.50000 Pd
  Cl1 0.73720 0.13625 0.46060 Cl
  O1 0.39065 -0.08585 0.95005 O
  H1 0.35235 -0.08755 1.00235 H
  O2 0.18830 0.09885 0.93555 O
  N1 0.47100 0.02270 0.62720 N
  C1 0.38945 0.14970 0.65395 C
  C2 0.36000 0.27410 0.59035 C
  H3 0.39445 0.26925 0.53120 H
  C3 0.28135 0.40175 0.61480 C
  H4 0.26435 0.48350 0.57215 H
  C4 0.22630 0.41080 0.70310 C
  H5 0.17205 0.49815 0.71885 H
  C5 0.25120 0.29315 0.76605 C
  H6 0.21305 0.30115 0.82455 H
  C6 0.33430 0.15800 0.74490 C
  C7 0.36945 0.03025 0.80690 C
  C8 0.30560 0.02055 0.90445 C
  C9 0.45885 -0.08850 0.77685 C
  H7 0.48675 -0.17060 0.81705 H
  C10 0.51100 -0.09225 0.68695 C
  C11 0.61415 -0.22380 0.65830 C
  C12 0.77500 -0.21370 0.60150 C
  H8 0.81550 -0.12270 0.57750 H
  C13 0.87425 -0.33815 0.58080 C
  H9 0.98280 -0.33105 0.54405 H
  C14 0.81380 -0.47315 0.61425 C
  H10 0.88070 -0.55675 0.59920 H
  C15 0.65500 -0.48455 0.66965 C
  H11 0.61400 -0.57565 0.69160 H
  C16 0.55580 -0.36105 0.69310 C
  H12 0.44980 -0.36960 0.73220 H
  O5 1.27010 -0.11955 0.11570 O
  N3 1.10010 -0.00615 0.22145 N
  C33 1.13285 -0.12260 0.29190 C
  H23 1.07250 -0.09700 0.34665 H
  H24 1.25535 -0.13855 0.29150 H
  H25 1.09235 -0.21005 0.28465 H
  C34 0.98970 0.12385 0.24280 C
  H26 0.95075 0.11230 0.30500 H
  H27 0.89085 0.13755 0.21530 H
  H28 1.05510 0.20735 0.22215 H
  C35 1.17000 -0.01590 0.13970 C
  H29 1.14155 0.06050 0.09655 H
  O7 1.20850 -0.38565 -0.11150 O
  N5 1.23070 -0.48425 0.02575 N
  C39 1.31960 -0.61175 0.00205 C
  H37 1.35030 -0.67620 0.05260 H
  H38 1.42340 -0.58885 -0.04015 H
  H39 1.24680 -0.65820 -0.02295 H
  C40 1.19415 -0.47335 0.11595 C
  C41 1.17305 -0.37485 -0.02875 C
  H43 1.10880 -0.29350 -0.00970 H
_cod_database_code 2100025