#------------------------------------------------------------------------------
#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527108.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_1527108
loop_
_publ_author_name
'Baggio, S.'
_publ_section_title
;
 Crystal and molecular structure of thiosulfatopentaamminecobalt(III)
 chloride monohydrate
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              2384
_journal_page_last               2387
_journal_volume                  1970
_journal_year                    1970
_chemical_formula_sum            'Cl Co H17 N5 O4 S2'
_chemical_name_systematic        '(Co (N H3)5 S2 O3) Cl H2 O'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.12
_cell_length_b                   7.97
_cell_length_c                   10.29
_cell_volume                     1075.988
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Baggio_JCSIAP_1970_1865.cif
_cod_data_source_block           H17Cl1Co1N5O4S2
_cod_original_formula_sum        'H17 Cl1 Co1 N5 O4 S2'
_cod_database_code               1527108
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
_atom_site_attached_hydrogens
O3 O-2 0.4203 0.75 0.2328 1 0.0 2
S1 S-2 0.1985 0.25 0.0287 1 0.0 0
O1 O-2 0.3629 0.25 -0.1394 1 0.0 0
N2 N-3 0.2609 0.4271 0.2822 1 0.0 3
N3 N-3 0.0578 0.077 0.2095 1 0.0 3
Cl1 Cl-1 0.1034 0.75 0.0147 1 0.0 0
O2 O-2 0.3972 0.4005 0.0594 1 0.0 0
Co1 Co+3 0.1616 0.25 0.2458 1 0.0 0
S2 S+6 0.3537 0.25 0.0001 1 0.0 0
N1 N-3 0.1295 0.25 0.4325 1 0.0 3
