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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/8/10/40/8104073.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_8104073
loop_
_publ_author_name
'Jones, P.G.'
'Fischer, A.K.'
'Vogt, H.'
_publ_section_title
;
 Crystal structure of dimethylammonium bromide
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              834
_journal_page_last               834
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'C2 H8 Br N'
_chemical_name_systematic        '((C H3)2 N H2) Br'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.09
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.861
_cell_length_b                   5.469
_cell_length_c                   13.359
_cell_volume                     1011.217
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Jones_ZEKRDZ_1994_1646.cif
_cod_data_source_block           C2H8Br1N1
_cod_original_formula_sum        'C2 H8 Br1 N1'
_cod_database_code               8104073
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
H8 H+1 0.5722 0.2027 0.5696 1 0.0
H1 H+1 0.70618 0.5357 0.6488 1 0.0
C2 C-2 0.635 0.284 0.5671 1 0.0
H4 H+1 0.5074 0.5951 0.6404 1 0.0
Br1 Br-1 0.86572 0.67038 0.63937 1 0.0
H5 H+1 0.5787 0.7518 0.5753 1 0.0
N1 N-3 0.64547 0.4677 0.6489 1 0.0
H3 H+1 0.5823 0.7813 0.6946 1 0.0
C1 C-2 0.5722 0.6658 0.6389 1 0.0
H7 H+1 0.6392 0.3658 0.5022 1 0.0
H2 H+1 0.63999 0.3903 0.7094 1 0.0
H6 H+1 0.6867 0.1623 0.5755 1 0.0
