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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005591.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_2005591
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2747
_journal_page_last 	2750
_publ_section_title 	
;
An Unexpected Trimethylstannylpyrrole from a Stannylated
Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone
;
_chemical_formula_iupac 	'[Sn (C H3)3 (C22 H20 N O3)]'
_chemical_formula_sum 	'C25 H29 N O3 Sn'
_chemical_formula_weight 	510.22
_symmetry_cell_setting 	Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 x,y,z
 1/2-x,1/2+y,-z
 -x,-y,-z
 1/2+x,1/2-y,z
_symmetry_space_group_name_H-M 	'P 21/a'
_cell_length_a 	13.4950(10)
_cell_length_b 	9.666(10)
_cell_length_c 	19.7180(10)
_cell_angle_alpha 	90
_cell_angle_beta 	109.108(5)
_cell_angle_gamma 	90
_cell_volume 	2430.4(2)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.394
_cell_measurement_temperature 	130
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Sn 1.000 .50364(1) .37525(2) .30485(1) .0256(1)
 O1 1.000 .59182(11) .84319(15) .35658(8) .0250(4)
 O2 1.000 .59820(12) .62275(16) .39744(8) .0307(5)
 O3 1.000 .23548(15) .38371(18) .22607(9) .0411(5)
 N1 1.000 .46205(13) .69696(18) .30121(9) .0220(5)
 C1 1.000 .41862(16) .5680(2) .27833(11) .0224(6)
 C2 1.000 .32113(16) .5949(2) .22913(11) .0221(5)
 C3 1.000 .30463(15) .7418(2) .22267(10) .0210(5)
 C4 1.000 .39314(16) .8021(2) .26748(11) .0223(6)
 C5 1.000 .6616(2) .4016(3) .30737(14) .0327(7)
 C6 1.000 .4366(3) .2301(3) .2200(2) .0520(10)
 C7 1.000 .4827(3) .3050(4) .40195(17) .0467(10)
 C8 1.000 .55805(16) .7148(2) .35735(11) .0229(5)
 C9 1.000 .68998(17) .8906(2) .41272(11) .0279(6)
 C10 1.000 .7008(2) 1.0369(3) .38912(16) .0396(8)
 C11 1.000 .6734(3) .8874(3) .48500(14) .0437(9)
 C12 1.000 .7817(2) .8021(3) .40997(15) .0385(8)
 C13 1.000 .20732(15) .8146(2) .18208(10) .0213(5)
 C14 1.000 .20894(17) .9315(3) .14155(12) .0281(6)
 C15 1.000 .11693(19) .9988(3) .10341(13) .0332(7)
 C16 1.000 .02152(18) .9514(3) .10673(13) .0320(7)
 C17 1.000 .01893(17) .8361(3) .14741(12) .0284(6)
 C18 1.000 .11076(16) .7671(2) .18446(11) .0237(6)
 C19 1.000 .24989(16) .4815(2) .19155(11) .0255(6)
 C20 1.000 .20134(16) .4827(2) .11170(11) .0252(6)
 C21 1.000 .22717(16) .5789(3) .06789(12) .0278(6)
 C22 1.000 .18252(19) .5696(3) -.00628(13) .0363(7)
 C23 1.000 .1128(2) .4641(3) -.03618(13) .0423(8)
 C24 1.000 .0866(2) .3681(3) .00696(14) .0427(8)
 C25 1.000 .13015(19) .3778(3) .08031(13) .0341(7)
 H4 1.000 .4118(19) .892(2) .2791(13) .021(6)
 H5 1.000 .665(3) .470(4) .280(2) .077(12)
 H5' 1.000 .676(3) .331(4) .290(2) .073(12)
 H5" 1.000 .706(3) .425(5) .350(3) .098(14)
 H6 1.000 .420(3) .267(4) .175(2) .081(13)
 H6' 1.000 .370(3) .196(4) .224(2) .076(12)
 H6" 1.000 .479(3) .160(4) .225(2) .081(13)
 H7 1.000 .473(4) .378(5) .429(3) .116(18)
 H7' 1.000 .532(3) .241(4) .427(2) .088(13)
 H7" 1.000 .415(4) .265(4) .389(2) .090(14)
 H10 1.000 .758(2) 1.078(3) .4217(16) .041(8)
 H10' 1.000 .638(3) 1.084(4) .3852(19) .062(10)
 H10" 1.000 .709(2) 1.042(3) .3432(17) .045(8)
 H11 1.000 .733(3) .920(4) .5220(19) .064(10)
 H11' 1.000 .608(3) .941(3) .4824(17) .054(9)
 H11" 1.000 .661(3) .795(4) .4999(17) .057(9)
 H12 1.000 .844(2) .840(3) .4382(16) .042(8)
 H12' 1.000 .781(2) .795(3) .3617(18) .053(9)
 H12" 1.000 .783(2) .714(3) .4316(15) .037(7)
 H14 1.000 .272(2) .964(3) .1387(13) .027(6)
 H15 1.000 .121(2) 1.073(3) .0767(15) .039(7)
 H16 1.000 -.041(2) .998(3) .0814(16) .046(8)
 H17 1.000 -.047(2) .804(3) .1516(15) .039(7)
 H18 1.000 .1076(19) .692(3) .2128(13) .029(6)
 H21 1.000 .277(2) .654(3) .0920(14) .034(7)
 H22 1.000 .198(2) .635(3) -.0332(16) .040(8)
 H23 1.000 .081(2) .459(3) -.0853(17) .048(8)
 H24 1.000 .037(3) .295(4) -.0132(19) .067(10)
 H25 1.000 .113(2) .318(3) .1076(16) .044(8)