Indium K α radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation

J Appl Crystallogr. 2023 Sep 5;56(Pt 5):1315-1321. doi: 10.1107/S1600576723007203. eCollection 2023 Oct 1.

Abstract

The MetalJet X-ray source provides indium Kα radiation with a wavelength even shorter than Ag radiation. This paper reports on problematic spectral impurities and presents possible countermeasures so that collection of data with excellent quality up to a high resolution is possible. It is demonstrated that these data can be used in the refinement of a multipole model, the results of which are used for a topological analysis to assess the bonding situation in a sulfur ylide compound.

Keywords: MetalJet; charge density; indium radiation; multipole model; ylide compounds.

Grants and funding

Paul Niklas Ruth and Dietmar Stalke thank the GRK BENCh, which is funded by the Deutsche Forschungsgemeinschaft (award No. 389479699/GRK2455).