It was then attempted to condense this data into more readily processable information. From the density maps, the distance from a = l = 1 for each pair of conformers could be readily calculated, providing a single value, termed the deviation factor, g, composed of both length (l) and angle (a) deviation components. In this manner, a set of g values was derived for each combination of 1 and 2, from which an average value (gavg) was calculated (Fig. ). Pleasingly, 1 DBF paired with 2 Py and 2 Ph gave some of the lowest gavg values (0.35 and 0.34, respectively). Whilst most other ligand combinations exhibited higher gavg values (≥0.7), the combination of 1 DBF and 2 Th , which had formed the heteroleptic species to some extent, also possessed a low gavg (0.33). To further explore the viability of g values for identifying promising ligand pairs, analyses of several cis-Pd2L2L'2 systems from the literature were undertaken. Pleasingly, these previously reported systems were also generally shown to give low gavg values (<0.6) (ESI section S5).