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#$Date: 2021-05-03 15:41:16 +0300 (Mon, 03 May 2021) $
#$Revision: 264769 $
#$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900029.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_5900029
loop_
_publ_author_name
'Binnie, W. P.'
'Robertson, J. M.'
_publ_section_title
;
 The crystal structure of hexamethylenediamine dihydrochloride
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica'
_journal_page_first              180
_journal_page_last               188
_journal_paper_doi               10.1107/S0365110X49000473
_journal_volume                  2
_journal_year                    1949
_chemical_formula_sum            'C6 H18 Cl2 N2'
_chemical_name_systematic        'Hexamethylendiamonium dichlorid'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.60
_cell_length_b                   14.19
_cell_length_c                   15.68
_cod_data_source_file            029_hexamethylendiamonium_dichlorid.cif
_cod_data_source_block           hexamethylendiamonium_dichlorid
_cod_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 H18 N2 Cl2'
_cod_database_code               5900029
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 Cl1 4 e 0.078 0.226 0.218
Cl2 Cl2 4 e 0.128 0.460 0.390
N1 N1 4 e 0.467 -0.128 0.243
C1 C1 4 e 0.330 -0.058 0.304
C2 C2 4 e 0.539 0.012 0.344
C3 C3 4 e 0.374 0.810 0.400
C4 C4 4 e 0.565 0.156 0.436
C5 C5 4 e 0.400 0.232 0.487
C6 C6 4 e 0.604 0.302 0.525
N2 N2 4 e 0.422 0.380 0.565
loop_
_citation_author_citation_id
_citation_author_ordinal
_citation_author_name
1 1 'Kitajgorodskij, A. I.'
loop_
_citation_id
_citation_coordinate_linkage
_citation_title
_citation_book_title
_citation_country
_citation_page_first
_citation_page_last
_citation_year
_citation_book_publisher
_cod_citation_special_details
1 yes ? 'Organicheskaja Kristallokhimija' USSR ? ? 1955
'Izdatel'stvo Akademii Nauk SSSR'
;

Coordinates are presented as published in this book, Kitajgorodskij's
"Organicheskaja Kristallokhimija", keyed in manually.

Saulius Gražulis
;
loop_
_geom_angle
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
115 N1 C1 C2
115 C1 C2 C3
116 C3 C4 C5
115 C5 C6 N2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N1 C1 1.51(4)
C1 C2 1.50(4)
C2 C3 1.55(4)
C3 C4 1.50(4)
C4 C5 1.55(4)
C5 C6 1.50(4)
C6 N2 1.51(4)
