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(4-Benzyl-1-methyl-1,2,4-triazol-5-yl-idene)[(1,2,5,6-η)-cyclo-octa-1,5-diene](tri-phenyl-phosphane-κ P )iridium(I) tetra-fluorido-borate.

Elliott B NewmanAndrei V AstashkinDaniel R AlbertEdward Rajaseelan
Published in: IUCrData (2021)
A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra-fluorido-borate counter-anion, [Ir(C 10 H 11 N 3 )(C 8 H 12 )(C 18 H 15 P)]BF 4 , has been synthesized and structurally characterized. The cationic complex exhibits a distorted square-planar environment around the Ir I ion. One significant non-standard hydrogen-bonding inter-action exists between a hydrogen atom on the N-heterocyclic carbene ligand and a fluorine atom from the counter-ion, BF 4 - . In the crystal, π-π stacking inter-actions are observed between one of the phenyl rings and the triazole ring. Both inter-molecular and intra-molecular C-H⋯π(ring) inter-actions are also observed.
Keyphrases
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