#------------------------------------------------------------------------------
#$Date: 2016-01-03 13:24:01 +0100 (Sun, 03 Jan 2016) $
#$Revision: 173389 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/18/1541852.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_1541852
loop_
_publ_author_name
'Klapoetke, T.M.'
'Noeth, H.'
'Suter, M.'
'Schuett, T.'
'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            'C2 Cl10 N2 Sb2'
_chemical_name_systematic        '(Sb Cl5)2 (N C C N)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.355
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.844
_cell_length_b                   6.0812
_cell_length_c                   12.3062
_cell_volume                     810.841
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Klapoetke_ZAACAB_2001_163.cif
_cod_data_source_block           C2Cl10N2Sb2
_cod_original_cell_volume        810.8412
_cod_database_code               1541852
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Cl4 Cl-1 0.58851 -0.1982 0.71071 1 0.0
Cl3 Cl-1 0.60257 0.2662 0.54248 1 0.0
Cl5 Cl-1 0.75913 0.2733 0.77377 1 0.0
Cl2 Cl-1 0.91048 -0.1562 0.70081 1 0.0
Cl1 Cl-1 0.75357 -0.1682 0.47164 1 0.0
C1 C+3 0.9613 0.4179 0.5183 1 0.0
Sb1 Sb+5 0.73139 0.01998 0.63438 1 0.0
N1 N-3 0.8982 0.2826 0.5487 1 0.0
