ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108767387099781
