The dataset contains the following 3 files:
1. NMR Data (zip file)
2. X-Ray raw data (cif file)
3. Theoretical data (zip 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. The theoretical data was generated by ORCA is in plain text however can be visualized with the program Avogadro.