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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/4/12/44/4124453.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_4124453
loop_
_publ_author_name
'Nagle, J.K.'
'Olmstead, M.M.'
'Balch, A.L.'
_publ_section_title
;
 Tl2 Pt (C N)4: A Noncolumnar Luminescent Form of (Pt (C N)4)(2-)
 containing Pt-Tl bonds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              319
_journal_page_last               321
_journal_volume                  110
_journal_year                    1988
_chemical_formula_sum            'C4 N4 Pt Tl2'
_chemical_name_systematic        'Tl2 Pt (C N)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.92
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.325
_cell_length_b                   7.386
_cell_length_c                   9.581
_cell_volume                     432.500
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Nagle_JACSAT_1988_1599.cif
_cod_data_source_block           C4N4Pt1Tl2
_cod_original_cell_volume        432.5004
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C4 N4 Pt1 Tl2'
_cod_database_code               4124453
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
C2 C+2 0.7132 0.159 0.4339 1 0.0
Tl1 Tl+1 0.2702 0.3465 0.5815 1 0.0
Pt1 Pt+2 0.5 0 0.5 1 0.0
N1 N-3 0.8025 0.0066 0.818 1 0.0
N2 N-3 0.8241 0.2613 0.3937 1 0.0
C1 C+2 0.6939 -0.0021 0.7011 1 0.0
