Abstract
The cationic complex in the title compound, [Ir(C9H7N2)2(C12H8N2)]PF6, comprises two phenyl-pyrazole (ppz) cyclo-metallating ligands and one 1,10-phenanthroline (phen) ancillary ligand. The asymmetric unit consists of one [Ir(ppz)2(phen)]+ cation and one [PF6]- counter-ion. The central IrIII 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 octa-hedral C2N4 coordination set. In the crystal structure, the [Ir(ppz)2(phen)]+ cations and PF6 - counter-ions are connected with each other through weak inter-molecular C-H⋯F hydrogen bonds. Additional C-H⋯π inter-actions between the rings of neighbouring cations consolidate the three-dimensional network. Electron density associated with additional disordered solvent mol-ecules 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 mol-ecule(s). The title compound has a different space-group symmetry (C2/c) from its solvatomorph (P21/c) comprising 1.5CH2Cl2 solvent mol-ecules per ion pair.
Highlights
Cyclometallated iridium(III) complexes have found applications in electroluminescent instruments such as sensors and light-emitting devices and in photocatalysis because of their high emission efficiencies, photo/thermal stabilities and easy tunability of the emission wavelength (Zhao et al, 2010; Shan et al, 2012)
We report the synthesis and crystal structure of the cyclometallated iridium(III) complex, [Ir(ppz)2(phen)][PF6], which contains an unknown number of solvent molecules
The axial positions are occupied by two nitrogen atoms (N3, N5) from two ppz ligands, while the equatorial plane is composed of two N atoms from the phen ligand (N1, N2) and two C atoms from two ppz ligands (C21, C30)
Summary
Cyclometallated iridium(III) complexes have found applications in electroluminescent instruments such as sensors and light-emitting devices and in photocatalysis because of their high emission efficiencies, photo/thermal stabilities and easy tunability of the emission wavelength (Zhao et al, 2010; Shan et al, 2012). This way, the high degree of delocalized -electrons can increase the luminescent properties of IrIII complexes (Choy et al, 2014). Symmetry codes: (i) Àx þ 1; y; Àz þ 12; (ii) Àx þ 12; y À 12; Àz þ 12; (iii) x; Ày; z À 12; (iv) x À 12; Ày þ 12; z À 12; (v) Àx þ 12; Ày þ 12; Àz; (vi) Àx þ 12; y þ 12; Àz þ 12
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