#------------------------------------------------------------------------------
#$Date: 2016-10-17 18:21:55 +0300 (Mon, 17 Oct 2016) $
#$Revision: 187371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/5/00/00/5000076.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_5000076
loop_
_publ_author_name
'Koo, Chung Hoe'
'Kim, Hoon Sup'
_publ_section_title
;
 The Crystal Structure of Nicotine Dihydroiodide
;
_journal_coden_ASTM              JKCSEZ
_journal_issue                   3
_journal_name_full               'Journal of the Korean Chemical Society'
_journal_page_first              134
_journal_page_last               141
_journal_volume                  9
_journal_year                    1965
_chemical_formula_sum            'C10 H16 I2 N2'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.61
_cell_length_b                   11.01
_cell_length_c                   17.27
_cod_database_code               5000076
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
C1 C 0.52300 -0.28200 -0.26000 1
C10 C 0.35300 -0.34300 -0.56100 3
C2 C 0.64200 -0.35300 -0.30200 1
C3 C 0.59000 -0.42400 -0.36500 1
C4 C 0.41300 -0.43300 -0.38800 0
C5 C 0.30700 -0.35600 -0.34700 1
C6 C 0.35800 -0.49500 -0.46300 1
C7 C 0.37500 -0.63300 -0.45000 2
C8 C 0.40800 -0.68200 -0.53300 2
C9 C 0.39500 -0.58000 -0.59700 2
I1 I 0.49700 -0.38200 0.21300 1
I2 I -0.13000 -0.47500 0.44100 1
N1 N 0.35500 -0.29300 -0.28300 0
N2 N 0.40000 -0.47200 -0.54600 0
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
I 1.33
N 0.68
