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

Apr 152010
 

Cryst. Rev. (2010), 16(2), 133-144.    [ doi:10.1080/08893110903483238 ]

Recent developments in crystallographic error analysis are described. This report provides an introduction to more-formal work, originally published in Ref. (Haestier, J., J. Appl. Cryst. 2009, 42, 798). Prior to the main discussion, a brief overview of the normal distribution and error-propagation is … Read the rest

Apr 152010
 
BCA Spring Meeting 2010

Susan Huth presents Kirsten Christensen with the Durward Cruickshank Award

The final dinner of the British Crystallographic Association Spring Meeting in Warwick was interrupted, as always, with the prize winning awards. Amber Thompson was awarded the International Union of Crystallography Prize (a copy of International Tables) for her explanation of the advantages of choosing non-standard Read the rest

Dec 202009
 
Seizure: Crystallographic Art

Seizure

A dreary, grey, condemned, 1960s low-rise council flat is an unusual place to find one of the most beautiful pieces of crystallographic art in the UK.  “Seizure” was constructed by transforming the flat into a watertight tank, into which 70,000 litres of hot copper sulphate solution was poured.  After three weeks of patient … Read the rest

Nov 182009
 

Acta Cryst. (2009), C65, o635-o638.    [ doi:10.1107/S0108270109046952 ]

The unusual methylene aziridine 6-tert-butyl-3-oxa-2-thia-1-azabicyclo[5.1.0]oct-6-ene 2,2-dioxide, C9H15NO3S, was found to crystallize with two molecules in the asymmetric unit. The structure was solved in both the approximately orthogonal and the oblique settings of space group No. 14, viz. Read the rest