#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100050.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_2100050
_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            'gi n no t ve'
_[local]_cod_chemical_formula_sum_orig 'not given'
_symmetry_space_group_name_H-M 'P -1'
_space_group_crystal_system  triclinic
_cell_length_a  9.7472
_cell_length_b  9.8061
_cell_length_c  12.0460
_cell_angle_alpha  66.69
_cell_angle_beta  76.81
_cell_angle_gamma  87.93
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Zn1 0.50000 0.50000 0.50000 Zn
  Cl1 0.60545 0.89075 0.94555 Cl
  N1 0.54585 0.27580 0.59745 N
  N2 0.69335 0.50555 0.37510 N
  H1 0.66570 0.49770 0.31065 H
  N5 0.39290 0.47380 0.35340 N
  C1 0.64205 0.24180 0.49485 C
  H3 0.58730 0.24885 0.43415 H
  C2 0.69675 0.08230 0.54120 C
  H4 0.74225 0.06765 0.60780 H
  H5 0.61725 0.00975 0.57295 H
  C3 0.79905 0.05955 0.43615 C
  H6 0.75040 0.06455 0.37295 H
  H7 0.83530 -0.03840 0.46755 H
  C4 0.92155 0.17685 0.37865 C
  H8 0.97210 0.17025 0.44090 H
  H9 0.98670 0.15940 0.31210 H
  C5 0.86550 0.33000 0.32790 C
  H10 0.94400 0.40390 0.29085 H
  H11 0.81870 0.33670 0.26310 H
  C6 0.76170 0.36345 0.42865 C
  H12 0.81110 0.36880 0.48925 H
  C7 0.78975 0.64415 0.31310 C
  H13 0.85410 0.63565 0.24095 H
  C8 0.88150 0.66230 0.39290 C
  H14 0.93550 0.57655 0.41930 H
  H15 0.82280 0.67295 0.46430 H
  H16 0.94410 0.74905 0.34540 H
  C9 0.70155 0.77815 0.26150 C
  H17 0.76675 0.86430 0.21245 H
  H18 0.65530 0.76015 0.20495 H
  C10 0.59040 0.81935 0.35055 C
  H19 0.56925 0.92195 0.30835 H
  H20 0.62945 0.81385 0.41930 H
  C21 0.38375 0.74220 0.29990 C
  H39 0.29795 0.79300 0.31165 H
  H40 0.44540 0.80670 0.22210 H
  C22 0.34655 0.60380 0.28735 C
  C23 0.26645 0.61915 0.20165 C
  H41 0.23370 0.71090 0.15910 H
  C24 0.23685 0.49650 0.18095 C
  H42 0.18300 0.50390 0.12455 H
  C25 0.28735 0.36430 0.24380 C
  H43 0.26985 0.28000 0.23055 H
  C26 0.36525 0.35810 0.32820 C
  H44 0.40000 0.26760 0.37035 H
  O1 0.61655 0.23195 0.15210 O
  O3 0.12630 -0.01255 0.14960 O
  O5 0.64860 0.54745 0.10760 O
  O7 0.88455 0.13885 0.04905 O
  O9 0.06980 0.38100 -0.00030 O
_cod_database_code 2100050