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Journal logoIUCrDATA
ISSN: 2414-3146

July 2022 issue

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Cover illustration: [(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­cyclo­hexyl­phosphane-κP)iridium(I) tetra­fluorido­borate di­chloro­methane monosolvate, [Ir(C8H12)(C6H11N3)(C18H33P)]BF4·CH2Cl2, a triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion, crystallizes with one di­chloro­methane solvent mol­ecule per formula unit. The IrI atom of the cationic complex has a distorted square-planar coordination environment, defined by a bidentate cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a tri­cyclo­hexyl­phosphane ligand. The complex crystallizes in a C-centered monoclinic unit cell and has an unusually high number of eight formula units. See:Rushlow, Astashkin, Albert & Rajaseelan [IUCrData (2022). 7, x220685].

inorganic compounds


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The djurleite phase with composition Cu61.39S32 was refined from a natural twinned specimen and shows disorder of some of its Cu sites.

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The solid solution with composition SnTe0.73 (2)Se0.27 (2) crystallizes in the NaCl structure type.

metal-organic compounds


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The IrI atom in the complex cation of the title salt has a distorted square-planar coordination environment, defined by a bidentate cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a tri­cyclo­hexyl­phosphane ligand.

organic compounds


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The quinoxaline portion of the title mol­ecule is not quite planar and the conformation of the entire mol­ecule is `U-shaped', which is consolidated by an intra­molecular anti­parallel carbonyl electrostatic inter­action. In the crystal, the mol­ecules form corrugated layers through C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π(ring) and π-stacking inter­actions.

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The asymmetric unit comprises three independent mol­ecules, two pairs of which differ significantly in the rotational orientation of the azido group and one pair having very similar conformations. Zigzag chains extending along the c-axis direction are formed individually by each independent mol­ecule through N—H⋯O hydrogen bonds.
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