Crystal structures of metallo-organo phosphates from X-ray powder diffraction data

Abstract

The application of X-ray powder diffraction for the solution and refinement of unknown crystal structures is due to the recent developments in both computational and instrumental methods. While a good number of structures of simple to fairly complex inorganic compounds have been solved ab initio, by using powder diffraction data, application of such techniques to compounds containing organic groups is rare. By the use of laboratory and synchrotron X-ray powder diffraction data, we have successfully solved and refined a number of metallo-organic compounds containing both rigid and flexible carbon skeletons. In this paper we briefly described our recent results on some complex metallo-organo phosphates. We also show the correctness of the powder structures by comparing the results of one such compound with its subsequent single crystal study.