Amber L. Thompson

Nov 012011
 

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 topical area, there remains very little experimental or theoretical information regarding bonds between alkaline earth elements and transition metals. While bonds between calcium and main group metals (Ga, Sn) have been reported, the bonding of calcium with a transition metal had not been studied. Reaction of calcium amalgam with [CpFe(CO)2]2 (Fp2) gave the alkaline earth compound [CaFp2(THF)3]2containing two direct Ca–Fe (3.0185(6) Å) bonds.

Structure of the Month - November 2011

Structure of the Month - November 2011

Oct 072011
 

Photo of Kirsten ChristensenKirsten’s research is focused on several areas that will establish a fundamental understanding of modulation in molecular materials e.g. their formation and properties. This knowledge can be put to immediate use in Crystal Engineering, and will also affect research in pharmaceuticals, developments in molecular modelling and crystal packing predictions.

See Kirsten’s Departmental web-page for further information.

Sep 282011
 

Mr. Karim J. SuttonFor his Part II year, Karim worked in Chem. Cryst. studying ion binding in rotaxanes (in collaboration with Paul Beer’s research group).  He has now returned to do a D. Phil. spending part of his time at Diamond Light Source.  When he’s not at Diamond he can be found playing darts or cricket for Worcester College.

Karim is a founder member of the Quiztallographers.

Sep 282011
 

Photo of David EdgeleyDavid is exploring the different ways of describing ring puckering and conformation.  By using data in the CSD and avoiding the lab as much as possible, he hopes to create an amalgamated approach to defining ring puckering and conformation that could be implemented in refinement software. If he isn’t hiding in the CRL basement he’s most likely to be found doing some from of college sport.

Sep 132011
 

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 parameters are strongly indicative, even when the standard uncertainties are large compared to the thresholds recommended by Flack & Bernardinelli [J. Appl. Cryst. (2000), 33, 1143–1148].

Electronic reprints

  • Oxford University Research Archive [direct pdf]

Publisher’s copy

Sep 012011
 

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 material: ‑12.0(8) TPa–1.  The structural features are both beautiful and unique to cause this effect.  [MnN6] octahedra are connected via almost linear ‘floppy’ NC–Ag–CN units, with K+ ions positioned above and below alternating Ag3 Kagome triangles (top). The lattice framework is made up of three independent interpenetrated a-Polonium nets (bottom right), with only weak argentophilic interactions between the nets. Variable temperature SCXRD was carried out in Oxford and the variable pressure work was the first pressure experiment carried out on WISH at ISIS.

Structure of the Month - September 2011

Structure of the Month – September 2011

Aug 312011
 

Madrid 2011 IUCrThe 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 vs. Eos and Other Stories (Invited presentation at the Agilent Technologies User Forum)

Jevgenij A. Raskatov, John M. Brown & Amber L. Thompson
Chiral Selection in the Formation of Borates from Racemic Binaphthols and related Diols (Poster)

Amber L. Thompson
Influencing Absolute Structure Determination (Poster)

Jul 282011
 

Picture of Shahzad SharifSharif is a Research Officer in the Materials Chemistry Laboratory at the GC University, Lahore. He is doing a Ph.D. in Lanthanide Coordination Polymers under the supervision of Prof. Dr Islam Ullah Khan, studying their Magnetic, Luminescent and MOF behaviour. Sharif is visiting Chem. Cryst. for six months under an IRSIP (HEC) scholarship to learn more about Crystallography and Materials Chemistry.

Jun 032011
 

The 2011 Diamond Annual Review, which highlights some of the world-class research recently undertaken at Diamond Light Source is now available from their website.  The report includes a contribution from Prof. Paul Beer covering some of the fascinating interlocked structures determined from data collected using the Small Molecule Beamline, I19, as part of the Oxford Block Allocation Group (BAG).  Highlights of their work include a novel halogen bonded rotaxane and the first reported crystal structure of a “handcuff catenane”.

Structure of a handcuff catenane

Structure of a handcuff catenane