X-Ray Laboratory Procedures
The X-ray facility accepts samples for routine crystal structure
determination. Although the primary goal is to provide the departmental
research groups with high quality crystal structures, collaboration with
other departments and colleges is highly encouraged. In fact, several Virginia
colleges, including James Madison University, the College of William &
Mary, the University of Richmond, Virginia Commonwealth University and
Sweet Briar College, have used the facility in the past.
In order to apply for a crystal structure determination please:
Fill
out the online submission form, which will be forwarded
to ms5c@virginia.edu. Remember to specify the expected molecular
formula and structure of your compound(s). Please provide an atom
labeling scheme for the compounds.
Deliver
your crystals to Room 165 for evaluation. The time will be specified
in an e-mail message to you.
The
following results will be sent to you by e-mail:
|
 MS Word file with a description of the experiment.
MS Word file containing tables of the crystal data, coordinates
and equivalent thermal displacement parameters for all refined
atoms as well as the bond lengths and angles. Note that the
hydrogen atoms can now be routinely located and, in most cases,
refined.
MS Word file with anisotropic thermal displacement parameters.
The CIF file for your structure.
A CIF-like file with the structure factors.
An Adobe Postscript file with an ORTEP drawing (30% ellipsoids).
|
The following tables may be included on request:
|
Least-squares planes.
Torsion angles.
Intermolecular and hydrogen bond contacts.
|
Some of the departmental research groups will also have
special accounts on the X-ray laboratory computer. These accounts
will store the results for several structure determinations.
