Publikation: Neutron diffraction study on a single crystal of pentacarbonyldiethylcyanamidechromium at 110 K
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1995
Autor:innen
Marie-Noëlle, Ohnet
Anne, Spasojević-de Biré
Nguyen Quy, Dao
Schweiss, Peter
Braden, Markus
Reindl, David
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Journal of the Chemical Society, Dalton Transactions. 1995(4), pp. 665-672. ISSN 0300-9246. eISSN 1364-5447. Available under: doi: 10.1039/DT9950000665
Zusammenfassung
The crystal structure of the complex [Cr(NCNEt2)(CO)5] has been determined by neutron diffraction at 110 K. The crystal used was twinned and the twin law was analysed. The structure is composed of layers of molecules parallel to the twin plane which are held together by van der Waals interactions and intermolecular hydrogen bonds. The cyanamide ligand has an intermediate σ-donor:π-acceptor ratio, stronger, for example, than the carbene ligand. There are two types of cis-carbonyl groups in the structure, resulting from the conjugation effect of the cyanamide skeleton in the molecule. Charge transfer, which is characteristic of the delocalization of the lone pair of the amino nitrogen along the six-atom linear chain, is observed along the bonds on the binary molecular axis, including the trans-carbonyl group.
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MARIE-NOËLLE, Ohnet, Spasojević-de Biré ANNE, Dao NGUYEN QUY, Peter SCHWEISS, Markus BRADEN, Helmut FISCHER, David REINDL, 1995. Neutron diffraction study on a single crystal of pentacarbonyldiethylcyanamidechromium at 110 K. In: Journal of the Chemical Society, Dalton Transactions. 1995(4), pp. 665-672. ISSN 0300-9246. eISSN 1364-5447. Available under: doi: 10.1039/DT9950000665BibTex
@article{MarieNoelle1995Neutr-23325,
year={1995},
doi={10.1039/DT9950000665},
title={Neutron diffraction study on a single crystal of pentacarbonyldiethylcyanamidechromium at 110 K},
number={4},
issn={0300-9246},
journal={Journal of the Chemical Society, Dalton Transactions},
pages={665--672},
author={Marie-Noëlle, Ohnet and Anne, Spasojević-de Biré and Nguyen Quy, Dao and Schweiss, Peter and Braden, Markus and Fischer, Helmut and Reindl, David}
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<dcterms:abstract xml:lang="eng">The crystal structure of the complex [Cr(NCNEt2)(CO)5] has been determined by neutron diffraction at 110 K. The crystal used was twinned and the twin law was analysed. The structure is composed of layers of molecules parallel to the twin plane which are held together by van der Waals interactions and intermolecular hydrogen bonds. The cyanamide ligand has an intermediate σ-donor:π-acceptor ratio, stronger, for example, than the carbene ligand. There are two types of cis-carbonyl groups in the structure, resulting from the conjugation effect of the cyanamide skeleton in the molecule. Charge transfer, which is characteristic of the delocalization of the lone pair of the amino nitrogen along the six-atom linear chain, is observed along the bonds on the binary molecular axis, including the trans-carbonyl group.</dcterms:abstract>
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