X-Ray service details
General Introduction
The X-ray Diffraction service is sited in laboratory B34. The equipment consists of three Bruker
SMART area detectors.
- SMART 1000 has low temperature facilities allowing data collection at temperatures from room temp
to 100K.
- SMART Apex 2 has low temperature facilities allowing data collection at temperatures from room
temp to 100K.
- SMART Apex 2 has low temperature facilities allowing data collection at temperatures from room
temp to 30K.
- We also have a Bruker D8 powder Diffractometer for the analysis of powder samples.
X-ray Diffraction is the only technique available in the department that can give you an accurate
three dimensional representation of your crystalline compound.
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After a data set has been collected, processed, solved and refined, it will be possible to produce a
picture of the single structure or, it’s packing arrangement showing it’s interaction with other
molecules within the unit cell. Plus sets of tables of bond lengths and angles, either for publication or for
thesis work. Files can also be prepared for use in other molecular modelling packages such as Mercury, Chem3D and Rasmol.
Pictures can be produced in several formats:
- A hard copy produced on a laser printer.
- As a .pdb file for use in programmes such as Mercury, Chem3D and Rasmol.
- As a picture inserted into a word document. (a .hgl or postscript file)
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