#------------------------------------------------------------------------------
#$Date: 2018-01-31 13:05:05 +0200 (Wed, 31 Jan 2018) $
#$Revision: 205956 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/09/2000981.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000981
loop_
_publ_author_name
'Sens, I.'
'Ruhlandt-Senge, K.'
'Müller, U.'
_publ_section_title
;
 Cobaltocenium-hydrogendichlorid, [CoCp₂]HCl₂
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              742
_journal_page_last               743
_journal_paper_doi               10.1107/S0108270191011472
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H11 Cl2 Co'
_chemical_formula_weight         261.0
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.4(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0070(10)
_cell_length_b                   8.468(2)
_cell_length_c                   9.537(4)
_cell_volume                     533.8(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    2.00
_exptl_crystal_density_diffrn    1.62
_exptl_crystal_F_000             264
_cod_data_source_file            bx0559.cif
_cod_data_source_block           bx0559_structure_1_of_1
_cod_original_cell_volume        533.9(5)
_cod_original_formula_sum        'C10 H11 Cl2 Co1'
_cod_database_code               2000981
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z
3 -x,-y,-z
4 x,-y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
Cl(1) .1372(3) .25 .2122(2) .0685(7) 0
H .320(10) .25 .270(7) ? 0
Cl(2) .6057(2) .25 .3546(2) .0717(7) 0
Co .38640(10) .25 .77255(8) .0342(2) 0
C(1) .6280(8) .25 .9625(6) .049(2) 1
C(4) .1263(9) .25 .8223(7) .071(3) 1
C(3) .6375(6) .1663(4) .7382(5) .054(2) 1
C(5) .1377(7) .3840(5) .7365(6) .065(2) 1
C(2) .6322(5) .1156(5) .8765(5) .051(2) 1
C(6) .1508(6) .1677(5) .6028(5) .065(2) 1
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Co C(1) 2.029(5)
Co C(3) 2.022(4)
Co C(2) 2.028(4)
C(1) C(2) 1.408(5)
Cl(1) H 1.24(7)
Co C(4) 2.030(7)
Co C(5) 2.011(5)
Co C(6) 2.015(5)
C(4) C(5) 1.417(6)
C(5) C(6) 1.379(7)
C(2) C(3) 1.399(6)
Cl(2) H 1.87(7)
