BIG STRUCTURES – Chemical Crystallography

Summer Conferences – ACA Annual Meeting 2012, ECM 27 and Aperiodic 2012

Aug 102012

Summer is conference season and the members of Chem. Cryst. have been on the road to the ACA in Boston and the ECM in Bergen. In September, Kirsten will also be attending the 7^th International Conference on Aperiodic Crystals, to be hosted in Cairns, Australia. Contributions include:

David J. Watkin, Richard I. Cooper & Anna Collins
Z’>1 Structures. Just a Nuisance or Something More Interesting? (ACA; Oral presentation)

Karim J. Sutton, Richard I. Cooper, Kirsten E. Christensen, Amber L. Thompson, David R. Allan & Sarah A. Barnett
Exploiting the Tunable Wavelength Capabilities of Synchrotron Radiation for Small Molecule Single Crystal X-ray Crystallography (ACA; Prize winning oral presentation)

Richard I. Cooper
CRYSTALS: Teaching an Old Dog New Tricks (ACA; Oral presentation)

Amber L. Thompson
When Small Molecules Get Large – A Journey into the Unknown (ECM; Oral presentation)

Anthony Linden & Amber L. Thompson
Hot topics and Structures in Molecular Chemistry (ECM; Microsymposium)

Kirsten E. Christensen & Amber L. Thompson
New Challenges in Chemical Crystallography (Aperiodic; Oral presentation)

Along the bryggen in Bergen

In Bergen

Something smells a little fishy

A BIG fishy!

It really *IS* that expensive in Norway!

Albert Einstein or Edvard Greig?

Norwegian Humour

BCA Spring Meeting 2012

Apr 202012

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 I. Cooper
Exploiting the Tunable Wavelength Capabilities of I19 (Poster & Oral Presentation)

Callum A. Young & Andrew L. Goodwin
An Examination of the Low Temperature Structure of Fe₃O₄ Using Reverse Monte Carlo Refinements (Oral Presentation)

Andrew L. Goodwin
Frameworks, Flexibility and Frustration (Oral Presentation)

Kirsten E. Christensen, Amber L. Thompson & Arwen R Pearson
Discussion Forum: From Small Molecules to Proteins: Bridging the Gap

Emma J. McKinley, Kirsten E. Christensen & Amber L. Thompson
Investigation of the Transient Modulated Phase of Barluenga’s Reagent (Poster)

Andrew B. Cairns, Amber L. Thompson, Andrew L, Goodwin, Matthew G. Tucker & Julien Haines
Anomalous Compression of Cyanide Frameworks: Mechanisms for Extreme Negative Response (Poster)

Callum A. Young, Edward Dixon, Michael A. Hayward & Andrew L. Goodwin
Apical Oxygen Bonding in YBCO – A Reverse Monte Carlo Approach (Poster)

Ines E. Collings, Andrew B. Cairns, Amber L. Thompson, Andrew L, Goodwin, Philip Pattison, Julien Haines, Matthew G. Tucker, Julia E. Parker & Chiu C. Tang
Transferable Mechanics in Molecular Framework Materials (Poster)

Joseph A. M. Paddison, Andrew L. Goodwin, Ross Stewart, Pascal Manuel, Matthias J. Gutmann, David A. Keen, Matthew G. Tucker, Andrew Wildes & Brian Rainford
Frustration and Magnetic Diffuse Scattering in β-Mn_0.8Co_0.2 and MnO: A Reverse Monte Carlo Study (Poster)

Matthew Cliffe & Andrew L. Goodwin
Disorder and Defects in Zirconium MOFs (Poster)

Nicholas P. Funnell, Martin T. Dove Andrew L. Goodwin Simon Parsons & Matthew G. Tucker
How Molecules Prepare to Undergo a Transition: The Onset of Disorder in Solid Cyclohexane (Poster).

Karim speaks to the Young Crystallographers

Emma, Richard and Ines go to the conference dinner

Ines and Emma

This time Karim brought his Dad…

Callum and Emma at Dinner

Kirsten presents Nick with his prize

Emma receives her prize

Contemplating Fourier Transforms…

Structure of the Month – November 2010

Nov 012010

Presented by: Nicola K. S. Davis & Dr. Amber L. Thompson
Research Leader: Prof. Harry L. Anderson
Published: Journal of the American Chemical Society

Molecules with large planar π-systems show a strong tendancy to aggregate due to π-π interactions. This tetra-anthracene-fused porphyrin forms dimers with the molecules twisted with respect to each other. Bulky aryl groups were necessary for characterisation, but prevent the porphyrins from forming longer stacks in the crystal. Using long alkyl chains instead could yield systems which form longer π-stacked arrays which may form discotic liquid crystals. Furthermore, as the porphyrins stack with a near-zero horizontal offset, these have potential as light harvesting arrays since the alignment of the chromophores provides an efficient pathway for holes and electrons along the column.

Structure of the Month – November 2010

Structure of the Month – August 2010

Aug 012010

Presented by: Dmitry Kondratiuk, Johannes Sprafke & Dr. Amber L. Thompson.
Research Leader: Prof. Harry L. Anderson
Published: Journal of the American Chemical Society

Molecules with many strongly coupled π-electrons exhibit unique optical and electronic behaviour because of the way they interact with electric fields, particularly high-frequency optical fields. The crystals of this material are highly prone to solvent loss as well as giving weak diffraction. Data were collected on I19 at Diamond and the structure featured on at least four proposals at Diamond and the SRS (Daresbury) before it was finally determined. Butadiyne linked porphyrin oligomers are generally expected to be rigid, but this structure shows that they are actually quite flexible and can be severely bent to form this highly strained ring.

Structure of the Month – August 2010