We note that the molecular structure of 1-Eu presents significant crystallographic disorder To assess this, we run the CASSCF-SO calculations on these conformers, finding large variations in the ZFS parameters (Table ). However, none of these on their own is capable of correctly reproducing the EPR data. As such, we conclude that the measured response arises from a complex mixture of multiple conformers with varying ratios, rendering an accurate simulation of the EPR virtually impossible.