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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107178.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_2107178
loop_
_publ_author_name
'Snow, M.R.'
'Boomsma, R.F.'
_publ_section_title
;
 The crystal structures and isomerisation of the linkage isomers
 thiocyanato- and isothiocyanatopenta-amminecobalt(III) dichloride , (Co
 (S C N) (N H3)5) Cl2 H2 O and (Co (N C S) (N H3)5 Cl2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1908
_journal_page_last               1913
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C H15 Cl2 Co N6 S'
_chemical_name_systematic        '(Co (N C S) (N H3)5) Cl2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.16
_cell_length_b                   10.16
_cell_length_c                   10.16
_cell_volume                     1048.772
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Snow_ACBCAR_1972_1816.cif
_cod_data_source_block           C1H15Cl2Co1N6S1
_cod_original_formula_sum        'C1 H15 Cl2 Co1 N6 S1'
_cod_database_code               2107178
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Co1 Co+3 0 0 0 1 0.0
S1 S-2 0.46 0 0 0.1666 0.0
N1 N-3 0.191 0 0 1 0.0
C1 C+4 0.336 0 0 0.1666 0.0
Cl1 Cl-1 0.25 0.25 0.25 1 0.0
