Aug 102012
 
Summer Conferences - ACA Annual Meeting 2012, ECM 27 and Aperiodic 2012

Summer is conference season and the members of Chem. Cryst. have been on the road to the ACA in Boston and the ECM in Bergen.  In September, Kirsten will also be attending the 7th International Conference on Aperiodic Crystals, to be hosted in Cairns, Australia.  Contributions include:

David J. Watkin, Richard I. Cooper & … Read the rest

Aug 022012
 
ACA Student Lecturer Award

Congratulations to Karim Sutton, who has been awarded a Margaret C. Etter Student Lecturer Award at the recent American Crystallographic Association annual meeting in Boston.

He presented his recent research determining oxidation states in mixed-valent materials using tunable synchrotron radiation on Diamond beamline I19.

The awards were established to honour the memory of Professor … Read the rest

May 012012
 
Structure of the Month - May 2012

Presented by: Nicholas G. White
Research Leader: Prof. Paul D. Beer
Published: Chemical Communications

Pyridinium-3,5-bis(triazole) can bind anions through polarised C-H···anion hydrogen bonds.  We have incorporated this motif into pseudorotaxanes, catenanes and rotaxanes (in conjunction with an isophthalamide macrocycle), and the resulting interlocked architectures are formed in high yields and display interesting and unusual anion … Read the rest

Apr 302012
 
Applications of Leverage Analysis in Structure Refinement (S. Parsons, T. Wagner, O. Presly, P. A. Wood and R. I. Cooper)

J Appl. Cryst. (2012), 45, 417-429. [ doi:10.1107/S0021889812015191 ]

Leverages measure the influence that observations (intensity data and restraints) have on the fit obtained in crystal structure refinement. Further analysis enables the influence that observations have on specific parameters to be measured. The results of leverage analyses are discussed in the context of the … Read the rest

Apr 202012
 
BCA Spring Meeting 2012

The 2012 Meeting of the British Crystallographic Association was held at Warwick University.  Oxford was very well represented this year with Kirsten Christensen chairing the Programme Committee and prizes being awarded to Joe Paddison, Nick Funnell and Emma McKinley.

Other contributions from Oxford include:

Karim J. Sutton, Kirsten E. Christensen, Amber L. Thompson & … Read the rest

Mar 192012
 
Alkyl-chain Disorder in Tetraisohexylammonium Bromide (M. A. Kelland and A. L. Thompson)

Acta Cryst.  (2012), C68, o152-o155.    [ doi:10.1107/S0108270112009377 ]

Tetraisohexylammonium bromide [systematic name: tetrakis(4-methylpentyl)azanium bromide], C24H52N+·Br, is a powerful structure II clathrate hydrate crystal-growth inhibitor. The crystal structure, in the space group P3221, contains one ammonium cation and one bromide anion in the asymmetric unit, … Read the rest

Feb 192012
 
An Integrated X-ray and Molecular Dynamics Study of Uranyl-salen Structures and Properties (G. M. Lombardo,  A. L. Thompson,  F. P. Ballistreri,  A. Pappalardo,  G. T. Sfrazzetto,  G. A. Tomaselli,  R. M. Toscano and F. Punzo)

Dalton Trans. (2012), 41, 1951-1960.    [ doi:10.1039/C1DT11758K ]

Uranium complexes of bis(p-tert-butyl-salicylidene)-1,2-diphenylethylenediamine (1) and bis(salicylidene)-1,2-diphenylethylenediamine (2) have been synthesized and investigated by X-ray single crystal diffraction and MD calculations in Periodic Boundary Conditions. Both compounds form crystals which are densely packed and do not provide voids accessible to … Read the rest