Jan 062012

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
Jan 012012
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

Dec 012011
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

Nov 052011
EPSRC Equipment Sharing Grant Awarded

Our application to secure funds to refurbish our existing DSC and TGA analysis equipment has been successful.  Sample analysis by TGA/DSC allow detection and characterisation of solvent-loss and phase changes and, as such are complementary to solid-state X-ray crystallography.  The equipment was abandoned by a researcher leaving in 2007 and has not been operational since. … Read the rest

Nov 012011
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

Oct 282011
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

Sep 132011
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

Sep 012011
Structure of the Month - September 2011

Presented by:  Andrew B. Cairns & Dr. 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 … Read the rest

Aug 312011
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.]


10.00   Refreshments in the Lecture Theatre Foyer, Inorganic Chemistry Laboratory

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

Aug 312011
XXII International Congress and General Assembly of the International Union of Crystallography

The triennial Congress of the International Union of Crystallography was held in Madrid, Spain at the end of August 2011. Chem. Cryst. was well represented with several talks and posters including:

Richard I. Cooper
Optimising X-ray Experiment Strategy on-the-fly based on Feedback from Automated Structure Solution (Presentation)

Amber L. Thompson
Battle of the Titans:  Atlas Read the rest