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#$Date: 2016-03-01 06:27:04 +0200 (Tue, 01 Mar 2016) $
#$Revision: 177074 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/04/1100476.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_1100476
loop_
_publ_author_name
'Kunkel, Frank'
'Harms, Klaus'
'Kang, Hak-Chul'
'Massa, Werner'
'Dehnicke, Kurt'
_publ_section_title
;
 Über die Reaktion von SbPh₃ mit S₃N₂Cl₂ Kristallstrukturen
 von [xxx] und [(Ph₃SbCl₂)₂·S₄N₄] /
 On the Reaction of SbPh₃ with S₃N₂Cl₂. Crystal Structures
 of [xxx] and [(Ph₃SbCl₂)₂·S₄N₄]
;
_journal_coden_ASTM              ZNBSEN
_journal_issue                   2
_journal_name_full
;
 Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences
;
_journal_page_first              193
_journal_page_last               198
_journal_paper_doi               10.1515/znb-1997-0208
_journal_volume                  52
_journal_year                    1997
_chemical_formula_sum            'C18 H15 N2 S2 Sb'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.09(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.594(1)
_cell_length_b                   14.485(3)
_cell_length_c                   15.576(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 H15 N2 S2 Sb1'
_cod_database_code               1100476
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 -1/2+x,-1/2-y,-1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb1 Sb 0.14532(3) 0.25625(1) 0.07633(1)
C1 C -0.0310(4) 0.3415(2) 0.0055(2)
C2 C -0.0386(5) 0.3355(3) -0.0827(2)
H1 H 0.0385(5) 0.2947(3) -0.1115(2)
C3 C -0.1575(5) 0.3884(3) -0.1298(3)
H2 H -0.1630(5) 0.3833(3) -0.1906(3)
C4 C -0.2671(5) 0.4480(3) -0.0887(3)
H3 H -0.3483(5) 0.4846(3) -0.1211(3)
C5 C -0.2601(6) 0.4553(3) -0.0006(3)
H4 H -0.3349(6) 0.4977(3) 0.0277(3)
C6 C -0.1447(5) 0.4012(3) 0.0467(2)
H5 H -0.1430(5) 0.4048(3) 0.1076(2)
C7 C -0.0553(4) 0.1798(2) 0.1434(2)
C8 C -0.1915(4) 0.1417(2) 0.0936(2)
H6 H -0.1968(4) 0.1527(2) 0.0335(2)
C9 C -0.3191(5) 0.0880(2) 0.1316(3)
H7 H -0.4103(5) 0.0613(2) 0.0971(3)
C10 C -0.3150(5) 0.0728(2) 0.2187(3)
H8 H -0.4043(5) 0.0368(2) 0.2444(3)
C11 C -0.1808(5) 0.1099(2) 0.2684(2)
H9 H -0.1778(5) 0.0995(2) 0.3287(2)
C12 C -0.0500(5) 0.1624(2) 0.2309(2)
H10 H 0.0435(5) 0.1866(2) 0.2654(2)
C13 C 0.2676(4) 0.3231(2) 0.1831(2)
C14 C 0.1662(5) 0.3669(2) 0.2444(2)
H11 H 0.0414(5) 0.3645(2) 0.2398(2)
C15 C 0.2465(5) 0.4140(2) 0.3119(2)
H12 H 0.1769(5) 0.4450(2) 0.3530(2)
C16 C 0.4295(5) 0.4158(3) 0.3196(2)
H13 H 0.4852(5) 0.4485(3) 0.3655(2)
C17 C 0.5295(5) 0.3699(3) 0.2603(3)
H14 H 0.6542(5) 0.3699(3) 0.2665(3)
C18 C 0.4506(5) 0.3239(2) 0.1919(2)
H15 H 0.5209(5) 0.2930(2) 0.1510(2)
S1 S 0.45852(12) 0.22915(6) -0.05551(6)
S2 S 0.22699(12) 0.10333(6) 0.01601(6)
N1 N 0.3609(4) 0.3000(2) -0.0034(2)
N2 N 0.3947(4) 0.1251(2) -0.0490(2)
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
N 0.68
S 1.02
Sb 1.46
