This text focuses on the practical aspects of crystal structure analysis, and provides the necessary conceptual framework for understanding and applying the technique. By choosing an approach that does not put too much emphasis on the mathematics involved, the book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results. The technique described is a core experimental method in modern structural chemistry, and plays an ever more important role in the careers of graduate students, postdoctoral and academic staff in chemistry, and final-year undergraduates.
Preface Acknowledgements 1. A basic introduction to x-ray crystallography 2. Crystal growth, evaluation and mounting 3. Symmetry and space group determination 4. Background theory for data collection 5. Data collection using four-circle diffractometers 6. Area detectors 7. Fourier syntheses 8. Structure determination by Patterson methods 9. Direct methods of crystal structure determination 10. An introduction to maximum entropy 11. Least squares fitting of parameters 12. Practical aspects of structure refinement 13. The derivation of results 14. The interpretation of results 15. The presentation of results 16. The Crystallographic Information File (CIF) 17. Crystallographic databases 18. Other topics A. Useful mathematics and formulae B. A short crystallographic dictionary C. Answers to the exercises
Explains the theory and methods behind the techniques of x-ray scattering structure analysis of crystals. Downplaying, but not eliminating, the mathematics involved, chapters discuss: crystal growth, evaluation, and mounting; symmetry and space group determination, data collection using four-circle diffractometers, area detectors, Fourier syntheses, structure determination by Patterson methods, direct methods of crystal structure determination, maximum entropy, leasl#S