Startseite A new refinement of monoclinic tetracyanoethylene (TCNE) from X-ray and neutron data
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A new refinement of monoclinic tetracyanoethylene (TCNE) from X-ray and neutron data

Veröffentlicht/Copyright: 25. August 2010
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Abstract

The monoclinic phase of TCNE (C6N4) was submitted to a new X-ray and neutron diffraction analysis. Contrary to the results reported by Bekoe and Trueblood (1960) we found a slight disorder, such that 3.8 – 5% of the molecules are rotated about 90 degrees in the molecular plane around their center of gravity. The final R-values are 0.035 for the X-ray- and 0.033 for the neutron-data. The resulting X – N-map showed clearly resolved peaks, whose hights correspond well with theoretical calculations.

Published Online: 2010-08-25
Published in Print: 1982
Heruntergeladen am 28.9.2025 von https://www.degruyterbrill.com/document/doi/10.1524/zkri.1982.161.1-2.103/html?lang=de
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