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Crystal Structure Analysis of 1,1,4,4-Tetrafluorobutadiene and Experimental Determination of the Charge Density of 1,1,4,4-Tetrafluorobutatriene

✍ Scribed by Ansgar Bach; Dieter Lentz; Peter Luger; Marc Messerschmidt; Christian Olesch; Mona Patzschke

Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
170 KB
Volume
41
Category
Article
ISSN
0044-8249

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The crystal structure of 1,4-benzenedithiol (BDT) was determined by the Rietveld method based on the calculation of the atomic coordinates of the BDT molecule using the Molecular Mechanics Program (MMP2). The refined crystal structure of BDT was monoclinic P 2 1 /c with dimensions, a Γ… 7.795, b Γ… 7.