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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/18/1541853.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_1541853
loop_
_publ_author_name
'Klapoetke, T.M.'
'Noeth, H.'
'Schuett, T.'
'Suter, M.'
'Warchhold, M.'
_publ_section_title
;
 Synthesis and characterization of the Lewis acid-base complexes SbCl5.LB
 (LB = ICN, BrCN, ClCN, (CN)2, NH2Cn and pyridine) - a combined
 theoretical and experimental investigation. The crystal structures of
 SbCl5.NCCl and SbCl5.NCCN.SbCl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1582
_journal_page_last               1588
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C Cl6 N Sb'
_chemical_name_systematic        '(Sb Cl5) (N C Cl)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.7234
_cell_length_b                   9.4731
_cell_length_c                   7.8097
_cell_volume                     941.303
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Klapoetke_ZAACAB_2001_164.cif
_cod_data_source_block           C1Cl6N1Sb1
_cod_original_cell_volume        941.3035
_cod_original_formula_sum        'C1 Cl6 N1 Sb1'
_cod_database_code               1541853
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-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_occupancy
_atom_site_U_iso_or_equiv
N1 N-3 0.5052 0.25 1.0419 1 0.0
C1 C+4 0.5572 0.25 1.1604 1 0.0
Cl4 Cl-1 0.31173 0.07686 0.9154 1 0.0
Cl1 Cl-1 0.53738 0.07659 0.7115 1 0.0
Cl3 Cl-1 0.63112 0.25 0.3249 1 0.0
Sb1 Sb+5 0.41627 0.25 0.78752 1 0.0
Cl2 Cl-1 0.32946 0.25 0.526 1 0.0
