The dataset contains the following 3 files: 1. NMR Data (zip file) 2. Raw computation data (zip file) 3. X-Ray raw data (cif file)
The dataset relates to research reported in the manuscript in the title, carried out as part of the Leverhulme funded project. Please note that the NMR data requires a specialist program such as Topspin or Mestrelab, and the X-Ray data (.cif) requires a program such as Olex or Mercury to view.
Banerjee, S. (Contributor), MacDonald, P. A. (Contributor), Kennedy, A. (Contributor), van Teijlingen, A. (Contributor), Robertson, S. (Contributor), Tuttle, T. (Contributor), Mulvey, R. (Creator) (1 Aug 2022). Data for: "Hydrocarbon soluble alkali-metal-aluminium hydride surrog[ATES]". University of Strathclyde. Raw_computation_data(.zip), Final_CIF(.cif), NMR_data(.zip). 10.15129/624adb63-0e47-406d-a288-7bb035a027e3