#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000230.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_2000230
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2211
_journal_page_last  2212
loop_
_publ_author_name
 'Skrzypczak-Jankun, E.'
 'Pinkerton, A.A.'
_chemical_formula_sum  'C6 H18 Cr1 P3 S6'
_chemical_formula_weight  427.51
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  9.1070(10)
_cell_length_b  9.632(2)
_cell_length_c  21.530(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1888.0(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.50
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  876
_exptl_absorpt_coefficient_mu  1.46
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Cr .77658(6) .95583(6) .37094(2)
 S1 .57010(10)
 .82481(9) .33179(2)
 S2 .84620(10)
 .76120(10)
    .43639(4)
 S3 .62040(10)
 1.05000(10)
  .45292(4)
 S4 .69880(10)
 1.12169(9) .29174(5)
 S5 .96200(10)
 .85980(10)
    .30252(4)
 S6 .95190(10)
 1.12440(10)
  .41184(5)
 P1 .52880(10)
 .99201(9) .27839(4)
 P2 1.00160(10)
  .72670(10)
  .37221(4)
 P3 .79090(10)
 1.17680(10)
  .47132(4)
 C1 .5162(6) .9486(4) .19676(2)
 C2 .3549(5) 1.0667(5) .2994(2)
 C3 1.1795(5) .7520(6) .4045(2)
 C4 .9979(6) .5513(4) .3449(2)
 C5 .7478(5) 1.3569(4) .4633(2)
 C6 .8418(5) 1.1548(5) .5510(2)
 H1 .606 .908 .185
 H2 .498 1.030 .174
 H3 .429 .884 .191
 H4 .354 1.092 .342
 H5 .279 1.001 .292
 H6 .339 1.147 .274
 H7 1.186 .845 .419
 H8 1.252 .737 .374
 H9 1.195 .689 .438
 H10 .905 .532 .327
 H11 1.015 .491 .379
 H12 1.072 .538 .314
 H13 .720 1.374 .422
 H14 .832 1.411 .473
 H15 .669 1.381 .490
 H16 .865 1.060 .558
 H17 .762 1.181 .577
 H18 .925 1.211 .560
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
 Cr S1 2.4170(10)
 Cr S2 2.4290(10)
 Cr S3 2.4410(10)
 Cr S4 2.4420(10)
 Cr S5 2.4240(10)
 Cr S6 2.4410(10)
 S1 P1 2.014(2)
 S2 P2 2.006(2)
 S3 P3 2.015(2)
 S4 P1 2.010(2)
 S5 P2 2.006(2)
 S6 P3 2.011(2)
 P1 C1 1.793(5)
 P1 C2 1.796(5)
 P2 C3 1.781(6)
 P2 C4 1.790(5)
 P3 C5 1.787(5)
 P3 C6 1.790(5)