Title of article :
Synthesis and crystal structure of (1,10-phenanthroline-κ2N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ2N2,C1]iridium(III) hexafluoridophosphate with an unknown number of solvent molecules
Author/Authors :
Zeng, Juxiang Jiangsu Nursing Vocational College, People's Republic of China , Tang, Guodong Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials - Huaiyin Normal University, People's Republic of China , Qian, Jun School of Chemistry and Chemical Engineering - Jiangsu University, People's Republic of China
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[Spek, A. L. (2015). Acta Cryst. C71, 9-18.]). 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.
Keywords :
crystal structure , cyclometallated iridium complex , 1,10-phenanthroline , 1-phenylpyrazole , intermolecular hydrogen bonding
Journal title :
Acta Crystallographica Section E: Crystallographic Communications