Rüdiger Beckhaus

 +49 441 798-3656

 W3 3-338


Marc Schmidtmann

 +49 441 798-3804

 W3 0-164

Alexander Weiz

+49 441 798-3677



 +49 441 798-3943

 W3 0-194

Sample submission form

Single crystal X-ray diffraction

Coronavirus: Informations on Special Operations starting from 25 Mai 2020

During the times of special operations the crystallography service will only be manned for the purpose of sample preparation and measurement. You can submit samples as follows

1. Temperature stable compounds can be placed on the sample table next to the micoscope accompanied by a sample submission form. Air sensitive compounds should be provided in an appropriate vessel/container. The samples will be checked and measured accordingly in due time.

2. All other samples are checked and measured after appointment. Phone 3804. E-mail

Hard copies of the sample submission forms are provided locally and can be downloaded on this site.

In other respects, all University rules regarding the Severe Acute Respiratory Syndrome Coronavirus 2 (Coronavirus Disease 2019) are in effect.


Malte Fischer*, Marie Christin Wolff, Estefanía del Horno, Marc Schmidtmann, and Rüdiger Beckhaus*
Synthesis, Reactivity, and Insights into the Lewis Acidity of Mononuclear Titanocene Imido Complexes Bearing Sterically Demanding Terphenyl Moieties


Bruker AXS D8 Venture

  • IµS 3.0 molybdemum microfocus source, multilayer optics
  • IµS 3.0 copper microfocus source, multilayer optics
  • Photon III CPAD detector
  • Oxford Cryostream 800+ (80-500 K)

Bruker AXS Apex II CCD

  • Molybdenum sealed tube, graphite monochromator
  • Apex II CCD detector
  • Kryoflex sample cooling (90-300 K)


Single crystal X-ray diffraction is a tool to determine the 3-dimensional structure of matter on an atomic level. What you need is single crystals and X-rays, where the crystal is exposed to the X-rays. A crystal is highly symmetrical and ordered which, because of interference effects, results in diffraction of the X-rays. The diffracted X-rays are detected in form of spots (reflections) by a detector. Analysis of the position and intensities of these reflections allows the determination of the 3-dimensional structure of atomic or molecular compounds. XYZ coordinates are obtained for each atom which can be used to calculate bond lengths and angles amongst other geometrical parameters, all important for the chemist.

The result of the single crystal X-ray experiment is the 3-dimensional atomic or molecular structure of a compound. The compound fills up the space in the unit cell (black box in below video) which is the smallest building block to build up the visible crystal only by translation in the 3 dimensions. A typical unit cell content is shown below.

(Changed: 2021-04-30)