Synthesis and crystal structure of (1,10-phenanthroline-κ2N,N′)E2-(1H-pyrazol-1-yl)-phenyl- κ2N2, C1]iridium(III) hexafluoridophosphate with an unknown number of solvent molecules

The cationic complex in the title compound, [Ir(C9H7N2)(2)(C12H8N2)]F-6, comprises two phenylpyrazole (ppz) cyclometallating ligands and one 1,10-phenanthroline (phen) ancillary ligand. The asymmetric unit consists of one [Ir(ppz)2(phen)1+ cation and one [PF6]- counter-ion. The central Jr" ion is six coordinated by two N atoms and two C atoms from the two ppz ligands as well as by two N atoms from the phen ligand within a distorted octahedral C2N4 coordination set. In the crystal structure, the [Ir(ppz)2(phen)1+ cations and PF6counter-ions are connected with each other through weak intermolecular C H" " "F hydrogen bonds. Additional C H" " "7r interactions between the rings of neighbouring cations consolidate the three-dimensional network. Electron density associated with additional disordered solvent molecules inside cavities of the structure was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s). The title compound has a different space-group symmetry (C2/c) from its solvatomorph (P2iIc) comprising 1.5CH(2)C(12) solvent molecules per ion pair.