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#$Date: 2015-10-10 06:39:42 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164743 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/16/4031632.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_4031632
loop_
_publ_author_name
'Fedin, V.P.'
'Elsegood, M.R.J.'
'Virovets, A.V.'
'Clegg, W.'
'Kalinina, I.V.'
'Ikorskii, V.N.'
_publ_section_title
;
 A three-dimensional cyano-bridged cluster-metal coordination polymer with
 large cavities
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              2341
_journal_page_last               2343
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'C12 H54.76 Co3 N12 O27.38 Te4 W4'
_chemical_name_systematic        '(Co (H2 O)4)3 (W4 Te4 (C N)12) (H2 O)15.38'
_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            8
_cell_length_a                   25.577
_cell_length_b                   25.577
_cell_length_c                   25.577
_cell_volume                     16732.037
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Fedin_EJICFO_2000_20.cif
_cod_data_source_block           C12H54.76Co3N12O27.38Te4W4
_cod_original_cell_volume        16732.04
_cod_database_code               4031632
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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
O3 O-2 0.256 0.5 0.137 0.25 0.0
O5 O-2 0 0.5 0.372 0.42 0.0
O6 O-2 0.084 0.416 0.348 0.48 0.0
C1 C+2 0.2022 0.3714 0.2022 1 0.0
N1 N-3 0.1984 0.4181 0.1984 1 0.0
O8 O-2 0.1007 0.3993 0.1007 0.54 0.0
Co1 Co+2 0.19831 0.5 0.19831 0.5 0.0
Te1 Te-2 0.18945 0.31055 0.31055 1 0.0
O1 O-2 0.2655 0.5 0.2345 0.5 0.0
O4 O-2 0.147 0.5 0.13 0.25 0.0
O7 O-2 0.0838 0.4162 0.2624 0.52 0.0
O2 O-2 0.271 0.5 0.153 0.25 0.0
W1 W+3 0.2092 0.2908 0.2092 1 0.0
