Study of binary and ternary metal complexes containing the sulfato ligand: molecular models for selected non-catalytic sites in sulfurylaseElectronic supplementary information (ESI) available: Full listings of atomic coordinates from X-ray diffraction experiments and from molecular modelling calculations, atomic thermal displacements, bond lengths and bond angles, and computed heat of formation and heat of reaction for selected molecules and reactions, Figure relevant to selected computed structures, and Figure relevant to vibrational modes. See http://www.rsc.org/suppdata/dt/b3/b302779a/