Poster Sessions at 200K (Cubic, P213) and at 100K (Orthorhombic, P212121) respectively were collected and analyzed by using XD2006 package (4). The topological analysis and calculation of relevant properties bring out the salient features which allow for a clear distinction in bond paths,Laplacian maps and electrostatic potential isosurfaces in both metal coordination and sulfate tetrahedra across the phase transition. References: (1) Zemann,A. and Zemann,J.; 1957,Acta Cryst. 10 Since the contribution of the molecule itself to optical activity of the crystal was estimated as relatively small, the predominating intermolecular effects were expected to be responsible for the high gyration tensor components. To get necessary information, charge density analysis was performed [3] using the program package XD [4] and low-temperature (80 K) X-ray diffraction data. The results of the topological analysis of ρ(r) at the bond critical points gave a quantitative description of the hydrogen bonds whereas the properties of charge density distribution enabled the derivation of atom volume polarizabilities [5,6] The conventional modelling of an X-ray diffraction experiment makes use of the "Independent Atom Model (IAM)", which ignores a priori electron density asphericities caused by the interaction of atoms. The Hansen&Coppens multipole model allows for a non-spherical atomic description but may require more than 40 parameters per atom and therefore needs high resolution diffraction data (d<0.5Å), which is mostly far beyond the scattering power of macromolecules. The recently introduced invariom model overcomes this limitation by assignment of individual aspherical scattering factors (multipoles) to each chemically unique atom in a structure. This permits to refine only atomic positional and vibrational parameters and thus to use data sets of medium resolution (d<0.9Å). The invariom library covers all bonding situations in polypeptides. Numerous tests an small molecules showed that this approach improves the accuracy of the molecular geometry, yields a better description of the displacement parameters and more accurate Flack parameters even in the case of limited resolution. But so far C570