X-ray structure determination: a practical guide
The pattern of this book follows closely an actual structural determination. After some introductory material on the nature of X-rays, the diffraction process, and the internal geometry of crystals, the selection and preparation of a crystal are considered. Techniques of measuring raw X-ray data are covered, plus their reduction into a useable form. The second part of the book discusses both traditional and novel methods of solving the 'phase problem', the principal difficulty in X-ray structure determination. The third part of the book considers how to extract the most information from the data and how to evaluate its reliability. Finally there is discussion of sources of error in practice and interpretation. The volume will be of benefit to crystallographers, organic, physical and analytical chemists, and graduate students.
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absorption Acta Cryst alignment angle appear approximation asymmetric unit atoms axes bond lengths Bragg's law calculated camera center of symmetry centrosymmetric Chapter coefficients coordinates correct corresponding crystal rotation crystal structure derived determined diffractometer direct effect electron density equations errors Figure film Fourier Fourier series glide heavy atoms indices intensity International Tables large number lattice lines lattice point located M. J. Buerger matrix measured method mirror plane molecules monoclinic normal observed obtained orientation origin orthorhombic oscillation parallel Patterson function peaks perpendicular phase point group possible precession problem r.l. point radiation reciprocal lattice refinement rotation axis scale scattering factor screw screw axis shown in Fig shows space group sphere of reflection structure factors superposition symmetry elements synthesis techniques thermal parameters tion triclinic unit cell usually values vector Weissenberg photographs Wiley X-ray beam X-ray Crystallography zero zero-level