#------------------------------------------------------------------------------
#$Date: 2015-10-09 21:51:29 +0200 (vie 09 de oct de 2015) $
#$Revision: 163024 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/56/1535603.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_1535603
loop_
_publ_author_name
'Brylev, K.A.'
'Naumov, N.G.'
'Sekar, P.'
'Fedorov, V.E.'
'Ibers, J.A.'
_publ_section_title
;
 Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) :
 syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N
 H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) *
 4(H2 O)
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              728
_journal_page_last               732
_journal_volume                  357
_journal_year                    2004
_chemical_formula_sum            'C6 H24 N14 Re6 Te8 Zn2'
_chemical_name_systematic        '(Zn (N H3)4)2 (Te8 (Re (C N))6)'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.3776
_cell_length_b                   10.3776
_cell_length_c                   10.4322
_cell_volume                     972.972
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Brylev_ICHAA3_2004_1039.cif
_cod_data_source_block           C6H24N14Re6Te8Zn2
_cod_original_cell_volume        972.9721
_cod_database_code               1535603
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z
x,x-y,-z
-x+y,y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z
-x,-x+y,z
x-y,-y,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
Te1 Te-2 0 0 0.18356 1 0.0
C1 C 0.6911 0 0.275 1 0.0
N1 N-1 0.6033 0 0.2033 1 0.0
Te2 Te-2 0.69955 0 0.60324 1 0.0
N3 N-3 0.6667 0.3333 0.22 0.5 0.0
Zn1 Zn+2 0.6667 0.3333 0.0399 0.5 0.0
Re1 Re+3 0.85108 0 0.39509 1 0.0
N2 N-3 0.46 0.156 0.0572 0.5 0.0
