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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 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.

SUBMITTER: Zeng J 

PROVIDER: S-EPMC7274009 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

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

Zeng Juxiang J   Tang Guodong G   Qian Jun J  

Acta crystallographica. Section E, Crystallographic communications 20200505 Pt 6

The cationic complex in the title compound, [Ir(C<sub>9</sub>H<sub>7</sub>N<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)]PF<sub>6</sub>, comprises two phenyl-pyrazole (ppz) cyclo-metallating ligands and one 1,10-phenanthroline (phen) ancillary ligand. The asymmetric unit consists of one [Ir(ppz)<sub>2</sub>(phen)]<sup>+</sup> cation and one [PF<sub>6</sub>]<sup>-</sup> counter-ion. The central Ir<sup>III</sup> ion is six-coordinated by two N atoms and two C atoms from the t  ...[more]

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