St Andrews X-Ray Crystallography

Published in @ccschemistry.bsky.social
(doi.org/10.31635/ccs...)

A just accepted paper contains work with the @ara-battery.bsky.social, Morris and Ashbrook groups, looking at electrodes for sodium-ion batteries. The structure of the sodium MOF of interest was determined by electron diffraction with the National Crystallography Service. @standrewschem.bsky.social

We have a recently accepted paper with the Stasch group in Organometallics (doi.org/10.1021/acs....). We determined the structures of ten complexes of gallium with new ligands, as well as various reaction products. @standrewschem.bsky.social

Again, slightly belatedly, a paper published with the Kilian group in Molbank (doi.org/10.3390/M2139). It reports the synthesis and structure of the peri-substituted acenaphthene, diisopropyl(6-(phenyl(phenylthio)arsaneyl)-1,2-dihydroacenaphthylen-5-yl)phosphane. @standrewschem.bsky.social

A bit belatedly, we have a paper published with the group of @ajbw.bsky.social in @pubs.acs.org Org. Lett. (doi.org/10.1021/acs....). We determined the structures of three of the products from the polarity-mismatched radical cross-coupling. @standrewschem.bsky.social

@standrewschem.bsky.social hosted a panel event for the RSC IUPAC Global Women’s Breakfast 2026, organised and chaired by final-year student Katie. Prof Sharon Ashbrook, Dr Alex Gibbs & Dr Amy Price shared their journeys and research. A packed, inspiring celebration of women in science.

Nominations are extended until this Friday! If you think you or someone you know might be eligible, pleas get nominations in - there's not a lot of details required for this initially.

Another recently accepted paper with the Kumar group. The service determined the structure of an isolable form of one of their complexes part way through its catalytic cycle.

Rather belatedly now is this work published in Nature Chemistry early this year. The service determined two structures for this work, including the absolute configurations, one of the compounds existing as a pair of diastereomers.

Nominations are open for this year's BCA-CCG @ccdc.cam.ac.uk Chemical Crystallography Prize for Younger Scientists. They close at the end of the month!
For more information, see ccg-bca.github.io/ccgprize/
Please spread the word! @escg-bca.bsky.social @crystallography.org.uk

Another paper accepted late last year is this work with the Kumar group, published in @angewandtechemie.bsky.social (doi.org/10.1002/anie...). The service determined the structure of an intermediate complex in their proposed catalytic cycle for upcycling PET waste. @st-andrewschem.bsky.social

A paper accepted late at the end of last year is this work with the Stasch group. We determined the structures of five calcium complexes, both homo- and heteroleptic, including a donor-solvent-free molecular calcium
hydride complex. @standrewschem.bsky.social

Our most recent paper with the Ayoup group at King Faisal University, has been accepted in Journal of Molecular Structure (doi.org/10.1016/j.mo...). The service determined the structures of the two complexes being investigated for antioxidant properties. @standrewschem.bsky.social

Moving along, we have a recently accepted paper with collaborators at the Universiti Teknologi MARA, Malaysia, formerly @standrewschem.bsky.social. Published in @actacryste.iucr.org (doi.org/10.1107/S205...), the paper explores changes in interactions caused by solvation, within two structures.

Next we have a recently accepted paper with @chemdudebrian.bsky.social in Molbank (doi.org/10.3390/M2104). It contains the previously unknown structure of the bis-α-hydroxyphosphonate, P,P,P′,P′-tetraisopropyl(1,4-phenylenebis(hydroxymethylene))-
bis(phosphonate). @standrewschem.bsky.social

Our next published paper in @rscadvances.rsc.org is a collaboration with labs in Turkey and Texas (doi.org/10.1039/D5RA...). We determined the structures of two polymorphs of a metallated [2]pseudocatenane complex, modelling the core of of the metallated rotaxane. @standrewschem.bsky.social

Our next paper was with the Aitken group, containing the structure of 2-(difluoroboryloxy)benzamide, published in Molbank (doi.org/10.3390/M2093). The compound showed two polymorphs with very similar molecular geometry but distinctly different interactions and packing. @standrewschem.bsky.social

Our next published paper was collaborative work with the Ettlinger, @ara-battery.bsky.social and Morris groups. Published in Frontiers in Chemistry (doi.org/10.3389/fche...) we provided the structures of the two biocompatible MOFs being investigated.

First, we have an accepted paper from our collaboration with the Saha group at the University of Kalyani, published in Chemistry Africa, doi.org/10.1007/s422..., containing four structures determined by the service. @standrewschem.bsky.social

We have been kept busy with a variety of things recently and have fallen behind on our updates! These will come out over the next week or so.

And the structures of seven of these phthalein derivatives are now published in Crystals (doi.org/10.3390/crys...) with @iainsmellie.bsky.social and @chemdudebrian.bsky.social. Structures of phenolphthalein, thymolphthalein, and symmetric and asymmetric substituents. @standrewschem.bsky.social

Rather belatedly, this @ezc-group.bsky.social paper is now published in @ccschemistry.bsky.social (doi.org/10.31635/ccs...). We determined the structure of the corannulene emitter being investigated. @standrewschem.bsky.social

An exciting opportunity has just opened up for someone to join the crystallography community at the University of Glasgow! Follow the link for more details.

www.jobs.gla.ac.uk/job/research...

Yesterdays' Chemistry Nobel announcement has a close tie to crystallography, as one of the most commonly used techniques to study MOFs and determine their structure and connectivity is single crystal diffraction. Great news for the field of MOFs!

The Autumn Meeting of the @crystallography.org.uk Chemical Crystallography Group is being held online on October 22nd. There is still plenty of time to register, and we are still accepting abstracts for presentation. If you have interesting research to share, please submit!
@escg-bca.bsky.social

A recently accepted paper with @chemdudebrian.bsky.social
and @iainsmellie.bsky.social in Molbank (doi.org/10.3390/M2067). It contains the structure of a new unsymmetrical phenolphthalein derivative. @standrewschem.bsky.social

Somewhat belatedly, our latest accepted paper with collaborators at the Universiti Teknologi MARA, Malaysia, formerly @standrewschem.bsky.social. Published in @iucrdata.iucr.org (doi.org/10.1107/S241...), the paper contains a single structure.

We have new instruments! Installed last week, a pair of Rigaku XTALab Synergy-S diffractometers. Looking forward to see how they handle our crystals!

Thanks to the @rigakuoxfordxrd.bsky.social installation team and @ukri.org and @uniofstandrews.bsky.social for funding.
@standrewschem.bsky.social

And beyond! What will come to replace our rotating anodes? Wait and see! @standrewschem.bsky.social

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