Single‐Crystal X ‐ ray Structure Determination

Abstract This article is a comprehensive guide to the basics of crystallography and structure determination. We will concentrate here on the use of x‐ray diffraction techniques as would be necessary for the conventional crystal structure investigation; that is, structures which are not twinned, incommensurate, or contain substantial amounts of disorder. A discussion of the basic principles of single‐crystal x‐ray diffraction will be presented first, followed by a discussion of the practical aspects of these techniques. In the course of this discussion, a few of the more widely used methods of overcoming the lack of measured phases, that is, the “phase problem” in crystallography, will be presented.