The structure of a pentachromium(II) extended metal atom chain at 3 K: Cotton’s conjecture proven

26 September 2022, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We provide definitive experimental proof that prototypical string-like compound [Cr5(tpda)4(NCS)2] has alternating long and short Cr-Cr separations in the solid state, as conjectured by F. A. Cotton, rather than essentially equally spaced Cr atoms, as initially claimed (H2tpda = N2,N6-di(pyridin-2-yl)pyridine-2,6-diamine). Single-crystal X-ray data collected from 292 to 3 K revealed that the misinterpretation is caused by pseudo-merohedral twinning and that bond length alternation is enhanced at low temperature.

Keywords

chromium
cryo-crystallography
extended metal atom chains
twinning

Supplementary materials

Title
Description
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Title
Electronic Supplementary Information
Description
Synthetic and crystallographic details, additional plots of temperature-dependent structural parameters.
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