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

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...

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.

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.

Isabella Karle’s greatest contribution to crystallography was delivering the first experimental proofs that the mathematics developed by her husband Jerome Karle in tandem with Herbert Hauptman were, ...

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.

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.

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

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