Maximum entropy solution of a small centrosymmetric crystal structure

The maximum entropy (MAXENT) method has been used ab initio to solve a previously determined small centrosymmetric crystal structure, bis(acetylacetonato)dichlorotin, C₁₀H₁₄Cl₂O₄Sn [Miller & Schlemper (1978). Inorg. Chim. Acta, 30, 131-134; Webster & Wood (1981). J. Chem. Res. (M), pp. 0450-0456]. The resulting electron density maps are of a very high quality, comparable or even superior to the conventional maps calculated from the refined phases. The method, therefore, holds good promise for the solution of larger and more difficult structures. The addition of simple chemical and symmetry information about the heavy atoms in the structure greatly improves the reconstruction and shows the capability of MAXENT to solve structures from partial fragments.