Structure of the Month

There is some really cool chemistry done in the Chemistry Department and some even cooler structures. So, the Oxford Chemical Crystallography Service runs a  “Structure of the Month” competition to show-case some of the best examples. The monthly winners are displayed at the entrance to the X-ray lab and details are given below once the material has been published.

Nov 012012
 
Structure of the Month - November 2012

Presented by: Vanessa E. Fairbank & Dr. Amber L. Thompson
Research Leader: Dr. Andrew L. Goodwin
Published: Physical Review B

Cubic Cd(CN)2 shows the strongest known isotropic negative thermal expansion (NTE; volume contraction on heating).  Variable-temperature single-crystal X‑ray diffraction suggests there is temperature-dependent off-centering of Cd2+ ions that has the effect of increasing … Read the rest

Sep 042012
 
Structure of the Month - September 2012

Presented by: Sebastian D. Pike & Dr. Amber L. Thompson
Research Leader: Prof. Andrew S. Weller
Published: Science

Transition metal σ-alkane complexes are key intermediates in catalytic C–H activation processes. We have used a direct crystal to crystal transition, by reaction with H2, to produce an alkane σ-complex directly.  This structure is of … 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

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

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

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

Jun 012011
 
Structure of the Month - June 2011

Presented by:  Matthew J. Langton, Jonathan D. Matichak & Dr. Amber L. Thompson
Research Leader:  Prof. Harry L. Anderson
Published:  Chemical Science (cover article)

Fully π-conjugated porphyrin oligomers exhibit remarkable properties such as ultrafast energy migration, strong two-photon absorption and wire-like charge transport. The possibility to encapsulate them by rotaxane formation may provide valuable control … Read the rest

May 012011
 
Structure of the Month - May 2011

Presented by:  Matthew Tatton & Paul Winship
Research Leader:  Prof. Timothy J. Donohoe
Published:  Angewandte Chemie International Edition

This is the final isolated intermediate in the synthesis of Neodysiherbaine A;  crystals were very small, so data were collected on I19 at Diamond.  The natural product is an excitatory amino acid isolated from the Dysidea herbacea … Read the rest

Apr 012011
 
Structure of the Month - April 2011

Presented by: Nicholas G. White & Dr. Fabiola Zapata
Research Leader: Prof. Paul D. Beer
Published:
Journal of the American Chemical Society

Both the mixed bromide/PF6 and mixed iodide/PF6 salt of this bis-iodoimidazolium macrocycle crystallize in the unusual cubic spacegroup I m -3 (there are currently only six organic structures in this spacegroup … Read the rest

Feb 012011
 
Structure of the Month - February 2011

Presented by:  Dr. Andrew D. Schwarz & Liban M. A. Saleh
Research Leader:  Prof. Philip Mountford & Prof. Simon Aldridge
Published:  Journal of the American Chemical Society

Transition-metal boryl compounds (L)M(BX2)x, containing 2‑center, 2‑electron σ‑bonds have been a topic of outstanding interest due to pivotal roles … Read the rest