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A new refinement of monoclinic tetracyanoethylene (TCNE) from X-ray and neutron data
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August 25, 2010
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
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Articles in the same Issue
- Neutron diffraction study of the thermal and oxygen position parameters in rutile
- The crystal structures of α- and β-forms of plutonium(IV) sulphate tetrahydrate
- Crystal morphology of monoclinic potassium feldspars
- Morphology and crystal growth of structurally related A2BX4- and A2BX3-compounds*
- Structure of p-methylphenoxyacetic acid a redetermination
- Die Kristallstruktur von NaCrP2O7
- The crystal structure of 6′-acetamido6-bromo-2-cyano-4′-diethylamino-4-nitroazobenzene
- The crystal structure of 4-nitrophenyl-α-d-glucopyranoside1
- The crystal structure of 2-nitrophenyl-β-d-glucopyranoside1
- Refinement of the crystal structure of hydroquinone-hydrogen sulfide clathrate
- The unit-cell dimensions of phases of Cu, Ag or Au with the CsCl structure
- A new refinement of monoclinic tetracyanoethylene (TCNE) from X-ray and neutron data
- The crystal structure of antimony selenoiodide, SbSeI
- Graphical derivation of the several settings of an orthorhombic crystal*
- The crystal structure of 3,4-dinitrophenyl-β-d-glucopyranoside hydrate*
- The crystal structure of 2,3,4,6-tetra-O-acetyl-3,4-dinitrophenyl-β-d-glucopyranoside*
- Electrogyration in cubic alkaline earth nitrates
- X-ray powder diffraction data of cholinium salt with dipicrylamine
- Single crystal growth and physical properties of cubic Zn4O(BO2)6
