#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010320.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_2010320
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1994
_journal_volume 50
_journal_page_first  1874
_journal_page_last  1875
_publ_section_title
;
Bis(tricarbonyl-\h~5~-methylcyclopentadienylchromium)(Cr-Cr)
;
loop_
_publ_author_name
  'Chen, W.'
  'Goh, L.Y.'
  'Tay, M.S.'
_chemical_formula_moiety  'C18 H14 Cr2 O6'
_chemical_formula_sum  'C18 H14 Cr2 O6'
_chemical_formula_weight  430.30
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  7.5371(7)
_cell_length_b  7.7348(7)
_cell_length_c  8.5907(8)
_cell_angle_alpha  79.031(7)
_cell_angle_beta  81.474(8)
_cell_angle_gamma  64.451(7)
_cell_volume  442.40(10)
_cell_formula_units_Z  1
_cell_measurement_temperature  300
_exptl_crystal_density_diffrn  1.615
_refine_ls_R_factor_obs  0.030
_refine_ls_wR_factor_obs  0.035
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Cr .07440(5) .37926(5) .17186(4)
  O1 .4463(2) .3148(3) -.0389(2)
  O2 .3268(3) .4344(3) .3775(2)
  O3 -.1549(3) .7923(3) .2281(2)
  C1 .2971(3) .3473(3) .0324(3)
  C2 .2299(3) .4120(3) .2985(3)
  C3 -.0706(3) .6384(3) .1959(3)
  C4 -.0107(4) .2173(4) .3827(3)
  C5 -.1688(3) .3039(4) .2852(4)
  C6 -.1042(3) .2252(3) .1417(3)
  C7 .0929(4) .0940(3) .1498(3)
  C8 .1540(3) .0846(3) .3000(3)
  C9 .3466(4) -.0494(5) .3638(4)
  H1 .448(5) -.038(4) .293(4)
  H2 .366(5) -.008(5) .452(4)
  H3 .357(5) -.189(5) .382(5)
  H4 -.010(4) .236(4) .481(3)
  H5 -.287(4) .398(4) .309(3)
  H6 -.176(4) .256(3) .062(3)
  H7 .177(4) .023(4) .075(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cr Cr . . 3.2470(10)
  yes
  Cr C1 . . 1.863(2) yes
  Cr C3 . . 1.859(3) yes
  Cr C5 . . 2.197(3) yes
  Cr C7 . . 2.193(3) yes
  O1 C1 . . 1.146(3) yes
  C4 C8 . . 1.420(4) yes
  C7 C8 . . 1.412(4) yes
  C6 C7 . . 1.395(4) yes
  O3 C3 . . 1.148(3) yes
  Cr C2 . . 1.833(2) yes
  Cr C4 . . 2.179(3) yes
  Cr C6 . . 2.214(3) yes
  Cr C8 . . 2.198(3) yes
  O2 C2 . . 1.151(3) yes
  C5 C6 . . 1.407(4) yes
  C8 C9 . . 1.484(4) yes
  C4 C5 . . 1.401(4) yes
  C4 H4 . . 0.89(3) no
  C5 H5 . . 0.90(3) no
  C9 H1 . . 0.93(4) no
  C9 H3 . . 1.03(5) no
  C7 H7 . . 0.91(3) no
  C6 H6 . . 0.87(3) no
  C9 H2 . . 0.93(4) no
_cod_database_code 2010320