The data set contains the following three files: NMR data (zip file), crystallographic information file (x-ray crystallographic data), CheckCIF (for x-ray crystallographic data). This data relates to the research reported in the manuscript "Structural Similarity in a Series of Alkali-Metal Aluminates with Heteroleptic t-Butoxide - iso-Butyl Ligand Sets", carried out in connection with a Strathclyde Research Studentship Scheme REA award 1527. Please note that the NMR data contained in File 1 requires a specialist program such as Topspin or Mestrelab; the CIF file (file 2) requires a program such as Diamond or Mercury to view.