Di­carbonyl[10,10-di­methyl-5,15-bis­(penta­fluorophenyl)biladiene]ruthenium(II): discovery of the first ruthenium tetra­pyrrole cis-di­carbonyl complex by X-ray and electron diffraction

The structure of a CO₂ reduction photo­catalyst prototype, the first cis-dicarbonyl ruthenium(II) tetra­pyrrole complex, has been determined by X-ray and electron diffraction to have an unprecedented seesaw-coordinated biladiene ligand.

A brief review on com­puter simulations of chal­copy­rite surfaces: structure and reactivity

Review of com­putational simulations of the chal­co­py­rite structure, oxidations and inter­actions with collectors.

2,4-Di­aryl­pyrroles: synthesis, characterization and crystallographic insights

The crystallographic analysis of two novel pyrroles is reported. A nitrosyl derivative revealed strong hydrogen-bond inter­actions and bifurcated halogen bonds that lead to inter­stitial voids.

Further evaluation of the shape of atomic Hirshfeld surfaces: M⋯H contacts and homoatomic bonds

The sensitivity of atomic Hirshfeld surfaces is further validated through the evaluation of contacts of type M⋯H and through the variations in curvature for C—C bonds depending on the hybridization of the C atoms.

Salt forms of amides: protonation of acetanilide

Treating acetanilide with aqueous strong acids gives protonation at the amide O atom and a series of anhydrous hemi-protonated salt forms of this simple amide.

Occupational modulation in the (3+1)-dimensional incommensurate structure of (2S,3S)-2-amino-3-hy­droxy-3-methyl-4-phen­oxy­butanoic acid dihydrate

The (3+1)-dimensional incommensurate structure of (2S,3S)-2-amino-3-hy­droxy-3-methyl-4-phen­oxy­butanoic acid dihydrate (I·2H₂O), in which one of the water mol­ecules is disordered over two positions and each position exhibits occupational modulation, can be well refined in superspace, and in the average and supercell approximations. The occupational modulation of the disordered solvent water mol­ecule results from the com­petition between the different hy­dro­gen-bonding motifs associated with the two disorder positions of the water mol­ecule.

Formation of a di­iron–(μ-η¹:η¹-CN) com­plex from aceto­nitrile solution

A di­iron end-on μ₂-η¹:η¹-CN-bridged com­plex is obtained from a crystallization experiment of an open-chain iron–NHC com­plex. The cyanide appears to originate from the aceto­nitrile (MeCN) solvent by C—C bond cleavage or through carbon–hy­dro­gen oxidation.

A luminescent Cu₂I₂P₂S₂-type binuclear com­plex and its fluorescence sensing for pyridine

In the title Cu₂I₂P₂S₂-type binuclear com­plex, Cu₂I₂TPP₂TU₂, TPP (triphenylphosphine) and TU (thiourea) adopt terminal coordinations, and the two Cu^I centres are bridged by two μ₂-I ligands. After com­posite processing, the paper-based film based on the title com­plex exhibits obvious luminescence light-up sensing for pyridine and 4-methyl­pyridine.

Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua­[2,4,6-tris­(pyri­din-4-yl)-1,3,5-tri­azine]zinc(II) halide

The crystallization conditions leading to the production of the title metal–organic com­plexes aqua­[2,4,6-tris­(pyri­din-4-yl)-1,3,5-tri­a­zine]zinc(II) bromide and chloride, along with the structural characterization, temperature-induced phase transition of the bromide congener, supra­molecular analysis using Hirshfeld surfaces, and two-dimensional fingerprint plots, are reported. In both structures, inter­molecular hydrogen bonding involving the zinc-bound water and pyridyl N atoms is a key inter­action that underpins the three-dimensional supra­molecular network.

Role of secondary inter­actions in a series of 2:1 halogen-bonded cocrystals formed between 4-(di­methyl­amino)­pyridine and ditopic halogen-bond donors

The role of secondary noncovalent inter­actions in the structures of a series of 2:1 cocrystals of ditopic halogen-bond donors and 4-(di­methyl­amino)­pyridine is analyzed.

Concerning the structures of Lewis base adducts of titanium(IV) hexa­fluoro­iso­pro­pox­ide

The reaction of titanium(IV) chloride with sodium hexa­fluoro­iso­pro­pox­ide, carried out in hexa­fluoro­iso­propanol, produces titanium(IV) hexa­fluoro­iso­pro­pox­ide, which is a liquid at room temperature. Recrystallization from coordinating solvents, such as aceto­nitrile or tetra­hydro­furan, results in the formation of bis-solvate com­plexes. These com­pounds are of inter­est as possible Ziegler–Natta polymerization catalysts.