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

Acta Crystallographica Section E: Crystallographic Communications

Guodong Tang¹  Juxiang Zeng²  Jun Qian³ 

[1] Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials, Huaiyin Normal University, Huaian 223300, Jiangsu Province, People's Republic of China;Jiangsu Nursing Vocational College, Huaian 223300, Jiangsu Province, People's Republic of China;School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People's Republic of China;

关键词: crystal structure;    cyclometallated iridium complex;    1,10-phenanthroline;    1-phenylpyrazole;    intermolecular hydrogen bonding;   

DOI  :  10.1107/S2056989020005861

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown