Synthesis and crystal structure of (1,10-phenanthroline-κ² N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ² N ²,C ¹]iridium(III) hexafluoridophosphate with an unknown number of solvent molecules

Abstract

The cationic complex in the title compound, [Ir(C9H7N2)2(C12H8N2)]PF6, comprises two phenylpyrazole (ppz) cyclometallating 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 octahedral C2N4 coordination set. In the crystal structure, the [Ir(ppz)2(phen)]+ cations and PF6 − counter-ions are connected with each other through weak intermolecular C—H...F hydrogen bonds. Additional C—H...π 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 (P21/c) comprising 1.5CH2Cl2 solvent molecules per ion pair.

Synthesis and Characterization of Platinum(IV) Complexes Containing 1‐Phenyl‐1H‐pyrazole and α‐Diimine Ligands

“…Bond angles along the axes are ~172–173 and ~172–176° for N−Pt−N and N−Pt−C, respectively, which correspond to a relatively low distortion from an ideal octahedral coordination polyhedron (Table 2). Both bond lengths and angles in the investigated [Pt(ppz) 2 (N^N)] 2+ complex molecules are very similar to those reported for the analogous [Ir(ppz) 2 (phen)] + complex [38] …”

“…Both bond lengths and angles in the investigated [Pt(ppz) 2 (N^N)] 2 + complex molecules are very similar to those reported for the analogous [Ir(ppz) 2 (phen)] + complex. [38]…”

“…Selected bond distances (Å) and angles (°) for the investigated [Pt(ppz) 2 (N^N)] 2 + complexes and its reported Ir III analogue. [38] [Pt(ppz) 2 (phen)] that the emission bands are more or less red-shifted and their emission life-times are 3-4 orders of magnitude longer (Table 4). These features are indicative of an emitting triplet excited mainly centred on N^N ligands.…”