X-ray Crystallography

X-ray diffraction is the definitive method for determining the identity and structure of both new and known compounds and is therefore vital to chemical research, from mineralogy to pharmaceuticals, catalysis to biological macromolecules such as peptides and proteins. The majority of structures determined are from research groups within ICS, but we also determine the structures of compounds for colleagues in other institutes as well as industrial users. Dr Georgina Rosair, an expert in small molecule diffraction, runs the service.  Please make sure you choose the correct form for the technique you require. If your sample does not contain  single crystals then it will require Powder (wide angle scattering) diffraction.

Single crystal diffraction

We currently have a dual source (Mo & Cu) Bruker D8 Venture equipped with an Oxford Cryosystems Cryostream, typically operating at 100 K. Most datasets of publishable quality can be obtained in a few hours.

Single crystal sample submission form

Powder (wide angle scattering) diffraction

Our Bruker D8 Advance diffractometer is equipped with a copper sealed tube source with a Germanium monochromator and LynxEye detector to give high resolution diffraction patterns suitable for Rietveld refinements.  This instrument operates in reflectance mode and has a robot sample changer with a capacity for 30 samples.  Data collection is carried out under ambient conditons.

Powder diffraction (wide angle scattering) sample submission form

Guide to crystal growing

Useful Links

• British Crystallographic Association
• European Crystallographic Association
• Cambridge Structural Database
• International Union of Crystallography

• Royal Society of Chemistry