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Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound

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Abstract

An alternative description is provided for the previously reported novel tetranuclear cadmium carbonyl compound, [Cd(CO)3(C6H3Cl)]4. Specifically, consideration of single crystal X-ray diffraction data indicates that the compound is better formulated as the rhenium compound, [Re(CO)3(C4N2H3S)]4. Furthermore, density functional theory calculations predict that, if it were to exist, [Cd(CO)3(C6H3Cl)]4 would have a very different structure to that reported. While it is well known that X-ray diffraction may not reliably distinguish between atoms of similar atomic number (e.g. N/C and Cl/S), it is not generally recognized that two atoms with very different atomic numbers could be misassigned. The misidentification of two elements as diverse as Re and Cd (ΔZ = 27) is unexpected and serves as an important caveat for structure determinations.

Graphical abstract: Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound

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Supplementary files

Article information


Submitted
21 Aug 2020
Accepted
07 Sep 2020
First published
09 Oct 2020

This article is Open Access
All publication charges for this article have been paid for by the Royal Society of Chemistry

Chem. Sci., 2020, Advance Article
Article type
Edge Article

Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound

E. Amemiya, A. Loo, D. G. Shlian and G. Parkin, Chem. Sci., 2020, Advance Article , DOI: 10.1039/D0SC04596A

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