#------------------------------------------------------------------------------
#$Date: 2011-09-17 22:27:16 +0200 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100117.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_2100117
_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  9.1818
_cell_length_b  9.7958
_cell_length_c  12.8848
_cell_angle_alpha  90.24
_cell_angle_beta  90.02
_cell_angle_gamma  90.38
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Ni1 0.28808 0.74128 0.74771 Ni
  C1 0.01195 0.88510 0.81420 C
  H1 0.07805 0.95130 0.84115 H
  C2 -0.13695 0.91070 0.82140 C
  H2 -0.17095 0.99215 0.85300 H
  C3 -0.23505 0.81505 0.78135 C
  H3 -0.33695 0.83045 0.78455 H
  C4 -0.17990 0.69530 0.73620 C
  H4 -0.24380 0.62780 0.70845 H
  C5 -0.02985 0.67760 0.73315 C
  H5 0.00680 0.59605 0.70315 H
  C6 0.39895 1.01650 0.66285 C
  H6 0.45820 1.01390 0.72315 H
  C7 0.41945 1.12290 0.59245 C
  H7 0.49150 1.19090 0.60495 H
  C8 0.33370 1.12830 0.50460 C
  H8 0.34690 1.19900 0.45515 H
  C9 0.22690 1.02730 0.48955 C
  H9 0.16500 1.02895 0.43055 H
  C10 0.21340 0.92480 0.56315 C
  H10 0.14095 0.85650 0.55260 H
  C11 0.41550 0.47560 0.83425 C
  H11 0.48245 0.48805 0.77910 H
  C12 0.43570 0.36595 0.90055 C
  H12 0.51435 0.30525 0.89020 H
  C13 0.33875 0.34650 0.98250 C
  H13 0.35075 0.27315 1.02950 H
  C14 0.22470 0.43710 0.99360 C
  H14 0.15635 0.42605 1.04815 H
  C15 0.21110 0.54460 0.92380 C
  H15 0.13250 0.60610 0.93240 H
  C31 0.34260 0.87800 0.95295 C
  C32 0.44360 0.96485 1.01860 C
  C35 0.38730 0.60850 0.59735 C
  C36 0.43270 0.52325 0.50585 C
  N3 0.06665 0.77040 0.77065 N
  N4 0.29755 0.91675 0.64865 N
  N5 0.30520 0.56520 0.84410 N
  O1 0.25100 0.61810 0.61575 O
  O2 0.48045 0.66745 0.65575 O
  H43 0.36350 0.50500 0.45400 H
  N1 0.19980 0.66160 0.31865 N
  C39 0.08560 0.65320 0.38525 C
  H31 0.10575 0.62565 0.45430 H
  C40 -0.05620 0.68135 0.36130 C
  H32 -0.13080 0.67080 0.41170 H
  C41 -0.08925 0.72670 0.25945 C
  H33 -0.18590 0.74975 0.24035 H
  C42 0.02180 0.73610 0.19045 C
  H34 0.00435 0.76460 0.12125 H
  C43 0.16275 0.70310 0.22310 C
  H35 0.23845 0.71030 0.17340 H
  H41 0.41900 0.96900 1.09100 H
  O3 0.38400 0.85585 0.85890 O
  O4 0.22790 0.83580 0.99465 O
_cod_database_code 2100117