A good-practice guide to solving and refining mol­ecular organic crystal structures from laboratory powder X-ray diffraction data

A step-by-step outline for academic and industrial practitioners determining mol­ecular organic crystal structures from powder X-ray diffraction data.

Compounds related to organic Dirac electron systems (ODES) using linear gold(I) com­plex anions

As a new structural series of the organic Dirac electron systems (ODES), BETS₂AuX₂ [BETS = bis­(ethyl­enedi­thio)­tetra­selena­fulvalene, and X = Cl and Br] were synthesized to reveal their crystal and band structures. The band structure calculation suggested that they should be a new family of ODES as the first example of purely organic two-dimensional Dirac electron systems.

Protonated deca­fluoro­benzo­phenone and the deca­fluoro­benzo­phenone–arsenic penta­fluoride adduct

Protonated deca­fluoro­benzo­phenone (perfluoro­benzo­phenone) and its corresponding AsF₅ adduct were synthesized by reaction of the ketone with AsF₅ using anhydrous HF and liquid SO₂, respectively, as solvents, and their crystal structures were determined.

Crystal structures and thermogravimetric analyses of six CuCN net­work structures with protonated N-alkyl­ethano­lamines as guest cations

Six CuCN net­work structures with conjugate acids of N-alkyl­ethano­lamines as guest cations are presented, together with topographical analysis and thermal decom­position studies. Generally, each guest templates a different triperiodic structure, but in one case, two structures with different topologies were obtained from the same guest. Thermal decom­position usually leads to loss of HCN(g) and the free base by 200 °C, with a CuCN(s) residue.