(4-Butyl-1-ethyl-1,2,4-triazol-5-yl-idene)[(1,2,5,6-η)-cyclo-octa-1,5-diene](tri-phenyl-phosphane)iridium(I) tetra-fluorido-borate

The title compound, [Ir(C H )(C H N )(C H P)]BF , a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra-fluorido-borate counter-anion, crystallizes with two cations and two anions in the asymmetric unit of space group . The Ir centers of the cations have distorted squa...

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Veröffentlicht in:IUCrData 2024-06, Vol.9 (Pt 6), p.x240501
Hauptverfasser: Lerch, Timothy G, Gau, Michael, Albert, Daniel R, Rajaseelan, Edward
Format: Artikel
Sprache:eng
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Zusammenfassung:The title compound, [Ir(C H )(C H N )(C H P)]BF , a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra-fluorido-borate counter-anion, crystallizes with two cations and two anions in the asymmetric unit of space group . The Ir centers of the cations have distorted square-planar conformations, formed by a bidentate (η + η ) cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene and a tri-phenyl-phosphane ligand with the NHC carbon atom and P atom being . In the extended structure, non-classical C-H⋯F hydrogen bonds, one of which is notably short (H⋯F = 2.21 Å), link the cations and anions. The carbon atoms of one of the COD ligands are disordered over adjacent sites in a 0.62:0.38 ratio.
ISSN:2414-3146
DOI:10.1107/S2414314624005017