IUCrData (Nov 2021)

(4-Butyl-1-methyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate

  • Kassandra T. Castaldi,
  • Andrei V. Astashkin,
  • Daniel R. Albert,
  • Edward Rajaseelan

DOI
https://doi.org/10.1107/S2414314621011421
Journal volume & issue
Vol. 6, no. 11
p. x211142

Abstract

Read online

A new triazole-based N-heterocyclic cationic carbene iridium(I) complex with a tetrafluoridoborate counter-anion, [Ir(C8H12)(C7H13N3)(C18H15P)]BF4, has been synthesized and structurally characterized. The IrI atom of the cationic complex has an expected square-planar coordination environment with unexceptional bond lengths. There are several close F...H contacts between the cations and the anions in the range 2.36–2.58 Å, stabilizing the orientation of the out-sphere [BF4−] counter-anion. In the crystal, C—H...π(ring) interactions are observed that orient the phenyl rings of the triphenylphosphane ligands.

Keywords