#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/5/00/01/5000153.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_5000153
loop_
_publ_author_name
'Braibanti, A.'
'Tiripicchio, A.'
'Camellini, M. T.'
_publ_section_title
;
 Crystal and molecular structure of thiocarbohydrazide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              2286
_journal_page_last               2290
_journal_paper_doi               10.1107/S0567740869005589
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'C H6 N4 S'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 122.4(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.74(1)
_cell_length_b                   15.53(2)
_cell_length_c                   7.19(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C1 H6 N4 S1'
_cod_database_code               5000153
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.15370 0.12530 0.45700
H11 H 0.00000 0.20840 0.60000
H21 H -0.18330 0.30690 0.31670
H22 H -0.45000 0.22500 0.22910
H31 H 0.46660 0.03250 0.63850
H41 H 0.14630 0.04710 0.83780
H42 H 0.51660 0.09590 0.94110
N1 N -0.00980 0.19220 0.46480
N2 N -0.20640 0.24550 0.28160
N3 N 0.32120 0.07660 0.63760
N4 N 0.28960 0.09440 0.81740
S1 S 0.16570 0.09700 0.22960
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.20
N 0.68
S 0.99
