Histogram showing the relationship between the number of structures computed to feature a TFSI that is N-bound to a metal as a function of the f-value. In our chosen computational procedure, a given metal was considered to be bound to the N-atom of the TFSI core structure if the sum of the covalent radii of the N-atom of TFSI and the relevant metal (M) plus an empirical tolerance factor (denoted f) of 1 Å was greater than the raw distance between N and M. Considering this approach, the value of f determines the threshold at which M-N bonding appears to become significant. This histogram demonstrates how the f-value of 1.0 was selected, considering that it allows computational capture of nearly all the structures which appear to indeed feature TFSI that is N-bound to M.