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#$Date: 2015-10-13 00:36:53 +0300 (Tue, 13 Oct 2015) $
#$Revision: 166835 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107091.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_2107091
loop_
_publ_author_name
'Mullica, D.F.'
'Reeves, W.L.'
'Beall, G.W.'
'Milligan, W.O.'
_publ_section_title
;
 Crystal structure of Zn3 (Co (C N)6)2 (H2 O)12
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3558
_journal_page_last               3561
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'C12 H24 Co2 N12 O12 Zn3'
_chemical_name_systematic        'Zn3 (Co (C N)6)2 (H2 O)12'
_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            1
_cell_length_a                   10.268
_cell_length_b                   10.268
_cell_length_c                   10.268
_cell_volume                     1082.574
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Mullica_ACBCAR_1978_964.cif
_cod_data_source_block           C12H24Co2N12O12Zn3
_cod_database_code               2107091
loop_
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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
O2 O-2 0 0 0 0.25 0.0
O3 O-2 0.203 0.203 0.203 0.094 0.0
O4 O-2 0.25 0.25 0.25 0.25 0.0
N1 N-3 0 0 0.296 0.5 0.0
Co1 Co+3 0 0 0 0.5 0.0
O1 O-2 0 0 0.292 0.25 0.0
Zn1 Zn+2 0.5 0.5 0.5 0.75 0.0
C1 C+2 0 0 0.185 0.5 0.0
