Be aware that growing crystals from certain solvents may result in crystals containing disordered solvent, and this may impede the structure determination.

If crystals do not grow from one solvent, try another.

crystals coming from NMR tubes is discouraged). X-ray quality crystals should be grown purposely, and should not usually be derived from purification or characterization attempts (e.g. In such cases, recrystallization to obtain larger crystals may be necessary if the diffraction experiment fails. Very small crystals can also be submitted to the crystallographer, but these samples may be too weakly scattering. X-ray quality crystals that are larger in dimension are cut by the crystallographer to a suitable size. If your sample does not have the prerequisite morphology, the crystallographer would be happy to look at it, but keep in mind that you may have to recrystallize it.Ĭrystals used in the diffraction experiment are typically no larger than 0.5 x 0.5 x 0.5 mm in each direction. A crystal is defined by straight edges and plane faces (see any crystallography text for further information). The sample should consist of carefully grown single crystals.

Avoid submitting a polycrystalline mass of solid material.

1, 189-191.Please note: It has always been the policy of this facility that the crystallographer is included as an author in any paper or publication where the results of the single crystal structure solution are presented. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.īarbour, L. MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.īlatov, V. Molecular Structure Corporation & Rigaku (2000). C., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. A 71, 3-8.Īltomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. Bruker AXS Inc., Madison, Wisconsin, USA. Oak Ridge National Laboratory, Tennessee, USA.įarrugia, L. Oak Ridge National Laboratory, Tennessee, USA.īurnett, M. Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic.

Stoe & Cie, Darmstadt, Germany.ĭuisenberg, A. 276, Macromolecular Crystallography, Part A, edited by C. CrystalMaker Software Ltd, Begbroke, Oxfordshire, England.īetteridge, P. Agilent Technologies Ltd, Yarnton, Oxfordshire, England. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.Īgilent (2014). Chemical Crystallography Laboratory, Oxford, England.ĬrysAlis CCD, CrysAlis RED and associated programs:: Shape Software, Kingsport, Tennessee, USA.Įnraf-Nonius (1989).

Rigaku Corporation, Tokyo, Japan.īruker (2012). This page provides details of how to cite commonly used computer programs.

Bruker apex software