#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004774.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_2004774
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first    	873
_journal_page_last    	876
_publ_section_title
;
Chloro{2-[2-(dimethylamino)ethyliminomethyl]phenol}triphenyltin(IV)
Benzene Hemisolvate, [SnCl(C~6~H~5~)~3~(C~11~H~16~N~2~O)].0.5C~6~H~6~
;
_chemical_formula_iupac    	'[Sn Cl (C6 H5 )3 (C11 H16 N2 O ) ] , 0.5C6 H6'
_chemical_formula_moiety    	'[Sn Cl (C6 H5 )3 C11 H16 N2 O ) ]2 , C6 H6'
_chemical_formula_sum    	'C64 H68 Cl2 N4 O2 Sn2'
_chemical_formula_weight    	616.80
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'x,1/2-y,1/2+z'
'-x,-y,-z'
'-x,1/2+y,1/2-z'
_cell_length_a    	17.0989(22)
_cell_length_b    	10.4699(18)
_cell_length_c    	17.7115(24)
_cell_angle_alpha    	90
_cell_angle_beta    	109.721(8)
_cell_angle_gamma    	90
_cell_volume    	2984.8(8)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.372
_cell_measurement_temperature    	294
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn .75602(2) 0.02748(3) .89608(2) 0.0450(2)
Cl 0.77174(9) -0.01999(14) 0.76095(8) 0.0666(10)
C1 0.7603(3) -0.1714(4) 0.9258(3) 0.047(2)
C2 0.7369(3) -0.2643(5) 0.8671(4) 0.060(3)
C3 0.7353(4) -0.3926(6) 0.8870(5) 0.077(5)
C4 0.7576(4) -0.4295(7) 0.9651(5) 0.081(4)
C5 0.7820(4) -0.3400(6) 1.0238(4) 0.075(4)
C6 0.7837(3) -0.2117(5) 1.0054(3) 0.056(3)
C7 0.8610(3) 0.1538(5) 0.9295(3) 0.051(3)
C8 0.9338(3) 0.1269(7) 0.9909(4) 0.069(3)
C9 1.0007(4) 0.2107(10) 1.0095(5) 0.091(3)
C10 0.9944(6) 0.3218(9) 0.9688(7) 0.101(5)
C11 0.9215(6) 0.3524(7) 0.9076(7) 0.099(7)
C12 0.8558(4) 0.2671(6) 0.8888(4) 0.073(4)
C13 0.6408(3) 0.1253(4) 0.8426(3) 0.050(3)
C14 0.5848(3) 0.0890(6) 0.7696(3) 0.062(3)
C15 0.5098(4) 0.1519(7) 0.7360(4) 0.075(4)
C16 0.4916(4) 0.2557(7) 0.7733(5) 0.081(4)
C17 0.5469(4) 0.2954(7) 0.8451(5) 0.080(5)
C18 0.6205(4) 0.2309(5) 0.8803(4) 0.064(4)
O19 0.7559(2) 0.0799(3) 1.0196(2) 0.054(2)
C20 0.7042(3) 0.0669(5) 1.0595(3) 0.047(2)
C21 0.6389(3) -0.0214(6) 1.0394(3) 0.064(3)
C22 0.5882(4) -0.0324(7) 1.0847(4) 0.075(4)
C23 0.5981(4) 0.0433(6) 1.1510(4) 0.077(4)
C24 0.6584(4) 0.1323(6) 1.1710(4) 0.070(4)
C25 0.7128(3) 0.1466(5) 1.1271(3) 0.051(3)
C26 0.7754(3) 0.2417(5) 1.1503(3) 0.059(4)
N27 0.8294(3) 0.2658(4) 1.1166(3) 0.055(3)
C28 0.8953(4) 0.3622(6) 1.1458(4) 0.067(4)
C29 0.9750(4) 0.3016(6) 1.2011(4) 0.068(4)
N30 1.0386(3) 0.3961(5) 1.2347(3) 0.080(3)
C31 1.0287(7) 0.4502(10) 1.3071(6) 0.107(6)
C32 1.1208(5) 0.3369(13) 1.2551(7) 0.119(5)
C33 0.5794(6) 0.4789(15) 1.0495(6) 0.113(6)
C34 0.5207(11) 0.3908(13) 1.0372(7) 0.129(12)
C35 0.4409(7) 0.4070(12) 0.9852(8) 0.117(8)
H2 0.720(3) -0.235(5) 0.816(3) 0.050(14)
H4 0.767(4) -0.517(7) 0.984(4) 0.105(22)
H6 0.800(3) -0.151(5) 1.049(3) .053(13)
H9 1.051(4) 0.186(6) 1.055(4) 0.103(22)
H11 0.917(5) 0.418(9) 0.872(5) 0.152(36)
H14 0.596(3) 0.022(5) 0.743(3) 0.064(16)
H16 0.435(4) 0.294(6) 0.747(4) 0.097(20)
H18 0.659(3) 0.254(5) 0.926(3) 0.056(15)
H22 0.549(4) -0.101(6) 1.071(3) 0.081(19)
H24 0.669(3) 0.178(5) 1.217(3) 0.055(14)
H27 0.828(3) 0.224(5) 1.075(3) 0.059(16)
H28b 0.911(3) 0.394(5) 1.099(3) 0.055(14)
H29b 0.961(3) 0.264(5) 1.249(3) 0.067(15)
H31b 1.048(6) 0.372(11) 1.351(6) 0.188(46)
H32a 1.157(5) 0.404(7) 1.272(4) 0.102(26)
H32c 1.117(6) 0.257(10) 1.300(6) 0.181(44)
H34 0.523(4) 0.327(6) 1.047(3) 0.051(19)
H3 0.720(4) -0.434(6) 0.850(4) 0.067(21)
H5 0.802(4) -0.358(6) 1.079(4) 0.104(23)
H8 0.936(4) 0.050(6) 1.018(4) 0.087(21)
H10 1.039(4) 0.380(7) 0.982(4) 0.100(21)
H12 0.813(4) 0.279(6) 0.846(4) 0.083(22)
H15 0.475(4) 0.128(5) 0.687(3) 0.073(18)
H17 0.539(5) 0.362(8) 0.875(5) 0.131(30)
H21 0.633(3) -0.077(5) 0.995(3) 0.070(16)
H23 0.562(3) 0.034(5) 1.181(3) 0.067(15)
H26 0.778(3) 0.292(5) 1.192(3) 0.051(14)
H28a 0.879(3) 0.426(5) 1.174(3) 0.055(14)
H29a 0.994(3) 0.238(6) 1.167(3) 0.079(17)
H31a 1.075(7) 0.503(10) 1.327(7) 0.185(45)
H31c 0.973(5) 0.478(7) 1.298(4) 0.119(27)
H32b 1.120(4) 0.322(7) 1.199(4) 0.108(25)
H33 0.646(7) 0.457(10) 1.082(7) 0.205(44)
H35 0.390(7) 0.362(11) 0.966(6) 0.191(48)
_cod_database_code 2004774