metal-organic compounds
The crystal structure determination of this complex revealed the presence of two different anionic species which other spectroscopic methods failed to characterize. The reduced catalytic activity was not fully understood until the crystallographic data provided evidence for the mixed anionic species. The crystal structure of this RuII complex clearly shows that the majority of the synthesized material has a chloride anion present.
crystallography, spectroscopy and theory
Three RuII–hydride species have been synthesized and fully characterized, including X-ray single-crystal structures. Quantum chemical calculations predict very accurately the observed crystallographic data.