X-Ray Structure Determination: A Practical Guide
Closely follows 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 discusses both traditional and novel methods of solving the ``phase'' problem, the principal difficulty in x-ray structure determination. The third part considers how to extract the most information from the data and how to evaluate its reliability. Finally, there is a discussion of sources of error in practice and interpretation.
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Diffraction of XRays
Crystals Symmetry and Space Groups
19 other sections not shown
absorption Acta Cryst alignment analysis angle anomalous scattering appear approximately asymmetric unit atomic positions atoms axes bond lengths Buerger calculated camera center of symmetry centrosymmetric Chapter coefficients coordinates correct corresponding Crystal Structures Crystallography derived diffractometer distribution effect electron density equations equivalent positions errors example extinction Figure film Fourier series heavy atom indices intensity large number lattice line lattice points least squares matrix measured methods mirror planes molecule monoclinic noncentrosymmetric normal observed obtained orientation origin orthorhombic parallel Patterson function Patterson map peaks perpendicular phase photographs point group possible problem programs r.l. points radiation reciprocal lattice reciprocal space refinement scale scattering factor screw screw axis Section shows space group sphere of reflection standard deviation structure factor superposition symmetry elements synthesis systematic techniques thermal parameters triclinic unit cell usually values vector wavelength Weissenberg X-ray beam X-Ray Crystallography zero zero-level