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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/18/4031804.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_4031804
loop_
_publ_author_name
'Roesky, H.W.'
'Anhaus, J.'
'Sheldrick, G.M.'
'Schmidt, H.G.'
'Noltemeyer, M.'
_publ_section_title
;
 Reactions of Tetrasulfur Tetranitride with Titanium and Vanadium
 Tetrachlorides; Crystal Structure of V Cl2 (S2 N3)
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1207
_journal_page_last               1209
_journal_volume                  1983
_journal_year                    1983
_chemical_formula_sum            'Cl2 N3 S2 V'
_chemical_name_systematic        '(S2 N3) V Cl2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.38
_cell_angle_beta                 99.62
_cell_angle_gamma                97.58
_cell_formula_units_Z            2
_cell_length_a                   5.713
_cell_length_b                   6.957
_cell_length_c                   7.729
_cell_volume                     298.110
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Roesky_JCDTBI_1983_1864.cif
_cod_data_source_block           Cl2N3S2V1
_cod_original_cell_volume        298.1102
_cod_original_formula_sum        'Cl2 N3 S2 V1'
_cod_database_code               4031804
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-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
N1 N-2 -0.0655 0.078 0.8591 1 0.0
N2 N-2 0.3392 0.3044 0.8423 1 0.0
Cl1 Cl-1 0.3741 -0.1237 0.8243 1 0.0
V1 V+4 0.2422 0.1502 0.9846 1 0.0
S2 S+2 0.2559 0.3705 0.6538 1 0.0
N3 N-2 -0.0147 0.266 0.5792 1 0.0
Cl2 Cl-1 0.1966 0.377 1.2017 1 0.0
S1 S+2 -0.1831 0.1262 0.6713 1 0.0
