*2.3. X-ray Crystallography*

Single crystal X-ray diffraction data were obtained using the MX1 beamline at the Australian Synchrotron, operating at 17.4 keV (λ = 0.7108 Å) [53]. The data were collected at 100 K using an open-flow N2 cryostream. The data collections were controlled using the software BluIce [54]. The initial data indexing and reduction was conducted using the XDS software suite [55]. Structures were solved using SHELXT and refined against F<sup>2</sup> by standard least squares methods using SHELXL-2018 [56,57]. The programs X-Seed or Olex2 were used as a graphical interface to the SHELX program suite [58,59]. Non-hydrogen atoms were refined using an anisotropic model, except for a few exceptions, as shown in Appendix A. All hydrogen atoms were placed in calculated positions and refined using a riding model. The data were treated with the SQUEEZE routine of PLATON to account for regions of poorly ordered solvent, as shown in Appendix A [60]. Crystallographic data have been deposited in the Cambridge Structural Database (2006794–2006795) and can be obtained from www.ccdc.cam.ac.uk. Special refinement details are provided in both Appendix A and CIF files.
