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#$Date: 2016-03-06 03:10:44 +0200 (Sun, 06 Mar 2016) $
#$Revision: 177947 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/04/1100455.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_1100455
loop_
_publ_author_name
'Hillwig, R.'
'Harms, K.'
'Dehnicke, K.'
'Müller, U.'
_publ_section_title
;
 Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von
 [HN(SnMe₃)₃]I, [H₂N(SnMe₃)₂][SnMe₃Cl₂] und [N(AsMe₃)₂]Br
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              676
_journal_page_last               682
_journal_paper_doi               10.1002/zaac.199762301107
_journal_volume                  623
_journal_year                    1997
_chemical_formula_sum            'C6 H18 As2 Br N'
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.263(2)
_cell_length_b                   8.263(2)
_cell_length_c                   34.909(7)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'C6 H18 As2 Br1 N1'
_cod_database_code               1100455
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 3/4-y,1/4+x,1/4+z
3 1/2-x,-y,1/2+z
4 3/4+y,3/4-x,3/4+z
5 1/2+x,1/2+y,1/2+z
6 1/4-y,3/4+x,3/4+z
7 -x,1/2-y,z
8 1/4+y,1/4-x,1/4+z
9 -x,-y,-z
10 -3/4+y,-1/4-x,-1/4-z
11 -1/2+x,y,-1/2-z
12 -3/4-y,-3/4+x,-3/4-z
13 -1/2-x,-1/2-y,-1/2-z
14 -1/4+y,-3/4-x,-3/4-z
15 x,-1/2+y,-z
16 -1/4-y,-1/4+x,-1/4-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Br1 Br 0.00000 0.25000 0.32876(3)
As1 As 0.38701(7) -0.10306(7) 0.29980(2)
N1 N 0.50000 -0.25000 0.2755(2)
C1 C 0.5065(7) 0.0297(7) 0.3344(2)
C2 C 0.3039(7) 0.0329(7) 0.2607(2)
C3 C 0.2077(7) -0.1854(8) 0.3284(2)
As1F* As 0.61299(7) -0.39694(7) 0.29980(2)
C1F* C 0.4935(7) -0.5297(7) 0.3344(2)
C2F* C 0.6961(7) -0.5329(7) 0.2607(2)
C3F* C 0.7923(7) -0.3146(8) 0.3284(2)
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
As 1.21
Br 1.21
N 0.68
