Nov 172010
 
BCA/PCG Poster Prize

Jeremy Law, a Part II student working with Dr Nick Rees and Dr David Watkin, has won a prize for his poster entitled “Alternative Approaches to Hydrogen Atom Location in the Solid State”. He presented his work to the joint ISIS Crystallography User Group and British Crystallographic Association PCG/SCMP meeting “Current Research in Physical Crystallography”… Read the rest

Nov 162010
 

Congratulations to Dr David Watkin who received an award under the Oxford Teaching Awards scheme for excellence in teaching as attested by student feedback and with the support of the department. He received a certificate presented by Professor Andrew Hamilton, the Vice-Chancellor of Oxford at Rhodes House.
The Oxford Teaching Awards scheme, co-ordinated by the … Read the rest

Nov 012010
 
Structure of the Month - November 2010

Presented by:  Nicola K. S. Davis & Dr. Amber L. Thompson
Research Leader:  Prof. Harry L. Anderson
Published:  Journal of the American Chemical Society

Molecules with large planar π-systems show a strong tendancy to aggregate due to π-π interactions. This tetra-anthracene-fused porphyrin forms dimers with the molecules twisted with respect to each other. Bulky aryl … Read the rest

Sep 012010
 
Structure of the Month - September 2010

Presented by:  Dr. Nathan L. Kilah, Matthew D. Wise, Christopher J. Serpell, Nicholas G. White, Dr. Kirsten E. Christensen & Dr. Amber L. Thompson
Research Leader:  Prof.
Paul D. Beer
Published:  Journal of the American Chemical Society

This structure represents the first use of solution phase halogen bonding to control and facilitate the anion templated … Read the rest

Aug 012010
 
Structure of the Month - August 2010

Presented by:  Dmitry Kondratiuk, Johannes Sprafke & Dr. Amber L. Thompson.
Research Leader:  Prof. Harry L. Anderson
Published: Journal of the American Chemical Society

Molecules with many strongly coupled π-electrons exhibit unique optical and electronic behaviour because of the way they interact with electric fields, particularly high-frequency optical fields.  The crystals of this material are … Read the rest

Jul 312010
 

CRYSTALS v14.11 is available as a beta-test.

Many small changes in Regularise Replace thanks to a CRYSTALS workshop in Toulouse organised by Carine Duhayon and Laure Vendier.

Cif generator now properly includes esds on refined hydrogen bonds, has incrreased figure-fields for cell parameters, and appends constraint and restraint information as _iucr_ data items at end Read the rest

Jul 292010
 

The ACA was held at the Sheraton Hotel in Chicago, IL.  Contributions from Chem. Cryst. include:

James Haestier, Amber L. Thompson, David J. Watkin, George C. Feast, Jeremy Robertson & Lee Page
Why is P21/n a Standard Non-Standard Space Group? (Poster)

Amber L. Thompson & David J. Watkin
Unpublishable” Data:  Does My R-factor Read the rest

Jul 132010
 

Cryst. Rev. (2010), 16(3), 197-230.    [ doi:10.1080/08893110903483246 ]

X-ray single crystal structure analysis has become a gold standard for the determination of molecular geometry. The reliability of the technique is a triumph for science and technology working together. The uniqueness of well-crystalline material intrigued early natural philosophers, and their examinations, followed by the discovery … Read the rest

Jun 292010
 
CRYSTALS Enhancements: Dealing with Hydrogen Atoms in Refinement (R. I. Cooper, A. L. Thompson and D. J. Watkin)

J. Appl. Cryst. (2010), 43, 1100-1107.    [ doi:10.1107/S0021889810025598 ]

Because they scatter X-rays weakly, H atoms are often abused or neglected during structure refinement. The reasons why the H atoms should be included in the refinement and some of the consequences of mistreatment are discussed along with selected real examples demonstrating some of the … Read the rest

Jun 152010
 

Dr David Watkin, an Honorary Member of the BCA, has been awarded the 2010 Fankuchen Award by the American Crystallographic Association. The award recognizes contributions to crystallographic research by one who is known to be an effective teacher of crystallography.

The Award will be presented at the ACA Annual Meeting in New Orleans 2011 at … Read the rest