The results have just been announced for the latest round of applications to the John Fell Oxford University Research Fund. Our application for funding for meetings for the Red Kite network over the next three years was successful, which is excellent news and should secure its immediate future.… Read the rest
The CRYSTALS v14.43 installer is now available to download for the Windows platfom.
[Update: 14.43 is a bug fix release]… Read the rest
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
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
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
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
Dalton Trans. (2012), 41, 1951-1960. Â Â [ 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
Acta Cryst. (2012), E68, o593-o594. Â Â [ doi:10.1107/S1600536812003303 ]
The title compound, C7H13NO3, adopts an approximately planar conformation. The torsion angles in the aliphatic chain between the carbonyl group C atoms range from 172.97 (14) to 179.38 (14)° and the r.m.s. deviation of all non-H atoms is 0.059 Å. … Read the rest
The CRYSTALS v14.40b installer is now available to download for the Windows platfom.
[Update: 14.40b fixes failure when importing reflections from Agilent cif_od files]
Selected highlights include:
Presented by: Dr. Andrew D. Schwarz
Research Leader: Prof. Philip Mountford
Published: Chemical Science
Inspired by the development of high-energy, early transition metal-ligand multiply-bonded systems, we targeted the unprecedented classes of bis(imido) and tris(imido) compounds of the group 4 metals (to give the first example of a group 4 metal simultaneously containing two or three … Read the rest