Cavity Analysis in Structures of Multi-Component Crystalline Compounds

Page: 870

R. Zajícová and J. Čejka

Department of Solid State Chemistry, University of Chemistry and Technology, Prague

Keywords: X-ray structure analysis, analysis of voids, multi-component crystals, solvates

 

A number of software applications provide visualization and characterization of voids in structures of multi-component crystalline compounds. A review of selected programs is presented and their usage in cavity analysis is discussed along with theoretical backgrounds and user interface. Although none of them provides full information about cavities, their combination leads to satisfactory results.

 

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