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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/1/53/67/1536788.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_1536788
loop_
_publ_author_name
'Eskudero, H.M.'
'Akimov, V.M.'
'Antipin, M.Yu.'
'Lindeman, S.V.'
'Struchkov, Yu.T.'
_publ_section_title
;
 Structure of thiocarbamide perchlorate
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              767
_journal_page_last               770
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'C H5 Cl N2 O4 S'
_chemical_name_systematic        '((N H2)2 C S H) (Cl O4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.05
_cell_angle_beta                 91.8
_cell_angle_gamma                100.29
_cell_formula_units_Z            2
_cell_length_a                   4.985
_cell_length_b                   7.905
_cell_length_c                   8.251
_cell_volume                     307.903
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Eskudero_ZNOKAQ_1992_1259.cif
_cod_data_source_block           C1H5Cl1N2O4S1
_cod_original_cell_volume        307.9026
_cod_original_formula_sum        'C1 H5 Cl1 N2 O4 S1'
_cod_database_code               1536788
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
O2 O-2 0.8473 -0.1816 0.8798 1 0.0
H1 H+1 0.2851 -0.122 0.3821 1 0.0
O3 O-2 0.7632 -0.3721 0.6092 1 0.0
H5 H+1 0.7318 -0.4171 0.3282 1 0.0
O4 O-2 0.2165 -0.253 0.7252 1 0.0
C1 C+4 0.4829 -0.2428 0.2322 1 0.0
N1 N-3 0.3846 -0.2037 0.3789 1 0.0
N2 N-3 0.4048 -0.178 0.1097 1 0.0
H2 H+1 0.446 -0.2516 0.4585 1 0.0
S1 S-2 0.7159 -0.3841 0.19 1 0.0
Cl1 Cl+7 0.9427 -0.2225 0.7162 1 0.0
H3 H+1 0.2959 -0.0977 0.1323 1 0.0
O1 O-2 0.9445 -0.0757 0.643 1 0.0
H4 H+1 0.4515 -0.2039 0.0272 1 0.0
