Comparison of the MDS and crystal structure conformers highlights the large differences in the size and shape of each molecule available in solution. While each [7]rotaxane shows a change between crystal and solution phase, there is perhaps least change in [2(1C)6] (Table ), with a similar diameter and angles between the planes of the rings. Multiple conformations of each molecule are likely to exist in solution, contributing to a wide range of metal-metal distances. Agreement between the theoretical and experimental SAXS data suggest that these large [7]rotaxane structures are stable in solution, but consideration of the dynamic behaviour of such molecules is important in the interpretation of SAXS data.