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Institut für Chemie

Information for Users

Services offered

The X-ray Crystallography Facility offers the following range of services associated with single crystal structure analyses of small molecules:

  • Advice on growing diffraction-quality single crystals.
  • Evaluation and mounting of crystals, including moderately air and moisture sensitive samples.
  • Determination of unit cell parameters, crystal system and space group.
  • Data collection with Mo or Cu radiation using CCD detector technology.
  • Choice of data collection temperature from room temperature down to 93 K (160 K is routinely employed).
  • Application of absorption corrections.
  • Structure solution and refinement including modelling of disorder when present, alternative methods for handling highly disordered solvent molecules and twinning.
  • Determination of the absolute configuration of an enantiomerically pure compound (within certain limitations).
  • Comprehensive analysis of the structural results, including hydrogen bonding, unusual geometrical features, intermolecular interactions, planes, ring puckering, etc.
  • Preparation of comprehensive reports, experimental details and molecular illustrations for publications, theses, posters or presentations.
  • Preparation of results for publication; deposition of CIF data with the appropriate database.
  • Guidance and searches in the Cambridge Structural Database and the Inorganic Crystal Structure Database.
  • Consultancy on matters relating to crystallography and structural chemistry.

General Information

Information for members of the Department of Chemistry only

  •  Download the Structure Determination Request Form (PDF file)
  •  Accessing the X-ray File Server to obtain reports, diagrams, data files and other informative documents
  •  Common bond lengths for various organic functional groups

Information for external clients