Crystal structure determination: a critical view
PG Jones - Chemical Society Reviews, 1984 - pubs.rsc.org
PG Jones
Chemical Society Reviews, 1984•pubs.rsc.orgStructural information provided by X-ray crystallography has been a cornerstone of chemical
research in the last few decades. However, the very importance and widespread use of the
technique has created a problem for the chemist, who may not be a specialist
crystallographer; how should he critically evaluate published crystal structures? There is an
understandable tendency nowadays for crystal structures to be believed implicitly. As an act
of faith this is touching, but, as any honest crystallographer would admit, many …
research in the last few decades. However, the very importance and widespread use of the
technique has created a problem for the chemist, who may not be a specialist
crystallographer; how should he critically evaluate published crystal structures? There is an
understandable tendency nowadays for crystal structures to be believed implicitly. As an act
of faith this is touching, but, as any honest crystallographer would admit, many …
Structural information provided by X-ray crystallography has been a cornerstone of chemical research in the last few decades. However, the very importance and widespread use of the technique has created a problem for the chemist, who may not be a specialist crystallographer; how should he critically evaluate published crystal structures?
There is an understandable tendency nowadays for crystal structures to be believed implicitly. As an act of faith this is touching, but, as any honest crystallographer would admit, many crystallographic papers contain infelicities ranging from tendentious statements through over-optimism to downright errors. This article is an attempt to provide the non-crystallographer with a guide to recognizing some limitations of published crystal structures, without involving him in detailed theory.
The Royal Society of Chemistry