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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/1/52/87/1528729.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_1528729
loop_
_publ_author_name
'Mattes, R.'
'Weber, H.'
'Scholten, K.'
_publ_section_title
;
 Konformation und Bindungsverhaeltnisse in Hydrazinderivaten: Die
 Kristallstrukturen des Thiocarbazinsaeure-O-Methylesters, des
 Thiocarbazinsaeure-S-Methylesters und des Kalium-Thiocarbazinats
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              1981
_journal_page_last               1988
_journal_volume                  113
_journal_year                    1980
_chemical_formula_sum            'C H3 K N2 O S'
_chemical_name_systematic        'K (N H2 N H C S O)'
_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                 93.08
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.982
_cell_length_b                   9.645
_cell_length_c                   9.776
_cell_volume                     469.072
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Mattes_CHBEAM_1980_45.cif
_cod_data_source_block           C1H3K1N2O1S1
_cod_original_cell_volume        469.0718
_cod_original_formula_sum        'C1 H3 K1 N2 O1 S1'
_cod_database_code               1528729
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
C1 C+4 -0.2109 -0.0263 0.2609 1 0.0
O1 O-2 -0.306 -0.0606 0.1453 1 0.0
N1 N-2 -0.3038 -0.0855 0.3744 1 0.0
H2 H+1 -0.479 -0.254 0.311 1 0.0
N2 N-2 -0.5142 0.1834 0.3692 1 0.0
H1 H+1 -0.674 -0.242 0.339 1 0.0
S1 S-2 0.0473 0.094 0.2873 1 0.0
K1 K+1 0.7975 0.3525 0.4585 1 0.0
H3 H+1 -0.23 -0.068 0.454 1 0.0
