The mol­ecular structures of two novel cobalt amino­diphosphine (PNP) com­plexes are reported, featuring variation in the N-atom substituent. A Cambridge Structural Database (CSD) survey, along with a noncovalent inter­action (NCI) analysis of the analogous [TMCln(PNP)2] (where TM = transition metal and n = 1 or 2) core, revealed an inverse correlation between the P—TM—P bite angles and N⋯TM contact distances.

Preconditions and applications for teaching crystallography in high school chemistry classes are presented.

Four crystal structures of rsCherry, where `rs' means reversible switchable, degraded under aerobic conditions provide valuable insights into oxygen-induced degradation in red fluorescent proteins.

Single-crystal X-ray structures measured at around 20 K to high resolution were refined with structure-specific restraints from quantum chemical molecule-in-cluster and full-periodic computations, which permits benchmarking levels of theory of varying sophistication. Restraints can then `augment' low-quality crystal structures, with other possible applications.

A double layer of tungsten diselenide behaves as a superconductor at very low temperatures, which could suggest a new route to developing materials that do so at room temperature

Tin(IV) sulfate dihydrate comprises of (100) layers of [SnO4(H2O)2] octa­hedra corner-connected by sulfate tetra­hedra, and with O—H⋯O hydrogen-bonding between the layers.

Reliable prediction of the organic molecular crystal structures is critical across numerous industries yet remains a significant challenge. Here, the authors develop a mathematical workflow based on t...

The Materialis.AI research blog discusses the application of Machine Learning to Materials Science