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Synthesis and crystal structure of (1,10-phenanthroline-κ² N,N')[2-(1H-pyrazol-1-yl)phenyl-κ² N ²,C ¹]iridium(III) hexa-fluorido-phosphate with an unknown number of solvent mol-ecules.

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 Ir^III 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.

SUBMITTER: Zeng J

PROVIDER: S-EPMC7274009 | biostudies-literature |

REPOSITORIES: biostudies-literature

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