Crystal Structures Submitted to the CSD

The Cambridge Structural Database (run by the Cambridge Crystallographic Data Centre) is one of several important repositories for crystallographic data. The CSD is the one I tend to use due to my discipline and the type of data I generate.

In the summer of 2020 (don’t ask), we ended up getting deep into single crystal X-ray diffraction data solutions. At that point, we started submitting our data to the CSD as a CSD Communication in lieu of including it in a separate journal article. This means the data is out there, folks can see what we’ve been doing, and we can get credit for the work we’ve done.

Here are the structures we’ve submitted in reverse chronological order.

A molecular variant of phosphorus(V) pentachloride. Two 4-dimethylaminopyridine moieties are bonded to the phosphorus atom.

Mitchell Anstey CCDC 2019477: CSD Communication, 2020, DOI: 10.5517/ccdc.csd.cc25sffv link

a molecular structure of a molecule viewed as a series of balls and sticks. The compound has a 1,2-diaminobenzene structure.

Mitchell Anstey CCDC 2018924: CSD Communication, 2020, DOI: 10.5517/ccdc.csd.cc25rvld link

a molecular structure of a molecule viewed as a series of balls and sticks. The compound is a polymeric interlinked structure of phenoxazines and potassium cations.

Aislinn C. Whalen, Mitchell R. Anstey, Claudia Hernandez Brito, Kyoung Hun Choi, Ellen J. T. Warner, David Thole, Michael R. Gau, Patrick J. Carroll, CCDC 2018922: CSD Communication, 2020, DOI: 10.5517/ccdc.csd.cc25rvjb link

a molecular structure of a molecule viewed as a series of balls and sticks. The compound is a type of borane.
a molecular structure of a molecule viewed as a series of balls and sticks. The compound is a type of borane.

Hannah H. Mallard, Mitchell R. Anstey, Nicholas D. Kennedy, Nathan A. Rudman, Alexa M. Greenwood, Corey E. Angle, Jonathan Nicoleau, Nicole A. Torquato, Michael R. Gau, Patrick J. Carroll, CCDC 2015021: CSD Communication, 2020, DOI: 10.5517/ccdc.csd.cc25msp9 link