Chem. Cryst., Oxford

CrystalsThe Chemical Crystallography Group and X-ray Crystallography Facility are located in the Chemistry Research Laboratory, Mansfield Road, Oxford. X-ray crystallography was established in Oxford in 1929 and has been part of the Department of Chemistry since 1946.

In addition to world-class X-ray diffraction facilities, Chem. Cryst. has an active research group and is home to the CRYSTALS software project. There are a number of projects available for undergraduate part II chemists.

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 & Richard … Read the rest

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

Jan 062012
CRYSTALS v14.40

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:

  • New data import tools for most diffractometer types.
  • Asymmetric distance, Uij and adp vibration restraints.
  • Automatic lookup of neutron scattering factors.
  • Calculation of s.u’s on torsion angles in
  • Read the rest

Structure of the Month - January 2012

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

Red Kite Crystallography Meeting - Jan 2012

[Update:  Thank-you to all the speakers and attendees who made this a great event; details are available on the main Red Kite web page.  See you all again next year!]

The inaugural meeting of the Red Kite Crystallographers will be held on Thursday 12th January, 2012 in the Inorganic Chemistry Laboratory, Oxford.

Attendance will … Read the rest

Structure of the Month - November 2011

Presented by: Matthew P.Blake
Research Leader: Prof. Philip Mountford
Published: Journal of the American Chemical Society

Metal-metal bonded molecular compounds have been an essential part of development in inorganic chemistry for decades; research has been reenergized by the discovery of the first Cr-Cr quintuple-, Zn-Zn single- and Mg-Mg single bonds. However, within this rich and … Read the rest

Quasicrystals - Nobel Prize 2011

The Nobel prize for chemistry has been awarded to Daniel Shechtman, from Technion – the Israel Institute of Technology in Haifa, for his discovery of the structure of quasicrystals. Until 1982, it was thought that only two-, three-, four- or six-fold rotational symmetry were possible, however Dr. Schechtman’s discovery changed all that when his electron … Read the rest

CRYSTALS Enhancements:  Absolute Structure Determination (A. L. Thompson and D. J. Watkin)

J. Appl. Cryst.  (2011), 44, 1017-1022.    [ doi:10.1107/S0021889811034066 ]

A summary of the features for investigating absolute structure available in the crystallographic refinement program CRYSTALS is presented, together with the results of analyses of 150 light-atom structures collected with molybdenum radiation carried out with these tools. The results confirm that the Flack and Hooft … Read the rest

Structure of the Month - September 2011

Presented by:  Andrew B. Cairns & Amber L. Thompson
Research Leader:  Dr. Andrew L. Goodwin
Published:  Journal of the American Chemical Society (cover article)

Negative Linear Compressibility (NLC) is where a material unusually expands in one direction under increasing pressure.  Potassium manganese dicyanoargentate exhibits the largest NLC over an extended range of any known material: … Read the rest

Chemical Crystallography: Reflections and Predictions

Chemical Crystallography: Reflections and Predictions
A symposium to mark the retirement of David J. Watkin
Friday 9th September 2011

[Update: Thanks to all the speakers and everyone who attended this event in honour of DJW.]

Programme

10.00   Refreshments in the Lecture Theatre Foyer, Inorganic Chemistry Laboratory

10.50   Dr. Richard Cooper (University of Oxford, UK)
Welcome Read the rest

© 2012 Chemical Crystallography Suffusion theme by Sayontan Sinha