#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000273.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_2000273
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1731
_journal_page_last  1732
loop_
_publ_author_name
 'Pech, R.'
 'Pickardt, J.'
_chemical_formula_sum  'Ni1 C18 O22 H30'
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P-1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  6.6710(10)
_cell_length_b  6.6830(10)
_cell_length_c  16.357(3)
_cell_angle_alpha  93.10(2)
_cell_angle_beta  92.850(10)
_cell_angle_gamma  117.690(10)
_cell_volume  642.64
_cell_formula_units_Z  1
_exptl_crystal_density_diffrn  1.7
_exptl_crystal_density_meas  1.7
_exptl_crystal_F_000  322
_exptl_absorpt_coefficient_mu  .783
_diffrn_radiation_type  mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Ni .0000 .0000 .0000 1.59
 O1 -.0691(3) -.0095(3) -.35870(10)
    2.83
 O2 .1218(3) .1049(4) -.23680(10)
     4.11
 O3 .5718(3) .5056(2) -.18120(10)
     2.26
 O4 .5621(3) .1680(2) -.17800(10)
     2.21
 O5 1.0019(3) .5308(4) -.23230(10)
   4.24
 O6 1.1350(3) .5972(3) -.35450(10)
   3.00
 O7 .0949(3) .3226(3) .05160(10)
    2.46
 O8 .1094(3) -.0764(3) .10560(10)
     2.89
 O9 .3190(3) .1019(3) -.03720(10)
     2.77
 O10 .5547(3) .8177(3) -.27650(10)
   2.10
 O11 -.3098(3) .3869(3) .06870(10)
   3.08
 C1 .3308(3) .1886(3) -.35360(10)
     1.76
 C2 .5432(3) .3022(3) -.30840(10)
     1.54
 C3 .7394(3) .3936(3) -.35110(10)
     1.82
 C4 .7200(4) .3701(5) -.43630(10)
     2.70
 C5 .5106(4) .2581(5) -.4802(2) 3.12
 C6 .3165(4) .1672(4) -.43890(10)
     2.57
 C7 .1188(3) .0903(4) -.30970(10)
     1.99
 C8 .5605(3) .3271(3) -.21510(10)
     1.68
 C9 .9689(4) .5128(4) -.30500(10)
     2.15
 H1 .1687 .0418 .3353 ?
 H3 -1.2589 -.6762 .3270 ?
 H4 -.8551 -.4403 .4651 ?
 H5 -.4909 -.2242 .5400 ?
 H6 -.1730 -.0842 .4714 ?
 H71 .1863 .3638 .0955 ?
 H72 .1449 .3775 .0131 ?
 H81 .0579 -.0673 .1446 ?
 H82 .1948 -.1190 .1099 ?
 H91 .3546 .1025 -.0802 ?
 H92 .4196 .1705 -.0041 ?
 H101 -1.5551 -.9343 .2416 ?
 H102 -1.5749 -.7527 .2498 ?
 H111 .3340 .5511 .8935 ?
 H112 .2096 .6338 .9098 ?