ABINITIO DETERMINATION OF MOLECULAR-STRUCTURES USING HIGH-RESOLUTION POWDER DIFFRACTION DATA FROM A LABORATORY X-RAY SOURCE

P LIGHTFOOT, C GLIDEWELL, P G BRUCE

Research output: Contribution to journalComment/debatepeer-review

38 Citations (Scopus)

Abstract

An ab initio determination of the structure of molecular materials using a laboratory X-ray powder diffractometer has been undertaken. Two simple molecules of unknown structure were selected specifically to demonstrate structure solution of both organometallic and organic materials by Patterson and direct methods, respectively, viz. [(C5H5)Fe(C5H4CH2NMe3)]+1- (1) and p-CH3C6H4SO2NH2 (2).

Original languageEnglish
Pages (from-to)361-362
Number of pages2
JournalJournal of Materials Chemistry
Volume2
Issue number3
Publication statusPublished - Mar 1992

Keywords

  • POWDER DIFFRACTION
  • STRUCTURE SOLUTION
  • CRYSTAL-STRUCTURE DETERMINATION

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