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#$Date: 2015-10-15 01:09:20 +0300 (Thu, 15 Oct 2015) $
#$Revision: 169104 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107244.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_2107244
loop_
_publ_author_name
'Zak, Z.'
_publ_section_title
;
 The Structure of 1.5-Dichlorocyclotetra(azathiene)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              23
_journal_page_last               26
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Cl2 N4 S4'
_chemical_name_systematic        'S4 N4 Cl2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.46
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.077
_cell_length_b                   6.58
_cell_length_c                   13.311
_cell_volume                     754.114
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Zak_ACBCAR_1981_1285.cif
_cod_data_source_block           Cl2N4S4
_cod_original_cell_volume        754.1136
_cod_database_code               2107244
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Cl1 Cl-1 0.5743 0.251 0.5877 1 0.0
S4 S+2 0.3296 0.1898 0.5651 1 0.0
N3 N-2 0.254 0.4077 0.5469 1 0.0
N1 N-2 0.2001 0.2543 0.7964 1 0.0
N4 N-2 0.3465 0.1053 0.6804 1 0.0
N2 N-2 0.1065 0.5604 0.6637 1 0.0
S1 S+2 0.3549 0.2595 0.7771 1 0.0
S3 S+2 0.2683 0.5467 0.651 1 0.0
S2 S+2 0.0452 0.3667 0.7101 1 0.0
Cl2 Cl-1 0.0477 0.6584 0.9222 1 0.0
