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

The cationic complex in the title compound, [Ir(C(9)H(7)N(2))(2)(C(12)H(8)N(2))]PF(6), 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 [PF(6)](−) counter-ion. T...

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Detalles Bibliográficos
Autores principales: Zeng, Juxiang, Tang, Guodong, Qian, Jun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7274009/
https://www.ncbi.nlm.nih.gov/pubmed/32523743
http://dx.doi.org/10.1107/S2056989020005861
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author Zeng, Juxiang
Tang, Guodong
Qian, Jun
author_facet Zeng, Juxiang
Tang, Guodong
Qian, Jun
author_sort Zeng, Juxiang
collection PubMed
description The cationic complex in the title compound, [Ir(C(9)H(7)N(2))(2)(C(12)H(8)N(2))]PF(6), 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 [PF(6)](−) 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 octa­hedral C(2)N(4) coordination set. In the crystal structure, the [Ir(ppz)(2)(phen)](+) cations and PF(6) (−) 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 (P2(1)/c) comprising 1.5CH(2)Cl(2) solvent mol­ecules per ion pair.
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spelling pubmed-72740092020-06-09 Synthesis and crystal structure of (1,10-phenanthroline-κ(2) N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ(2) N (2),C (1)]iridium(III) hexa­fluorido­phosphate with an unknown number of solvent mol­ecules Zeng, Juxiang Tang, Guodong Qian, Jun Acta Crystallogr E Crystallogr Commun Research Communications The cationic complex in the title compound, [Ir(C(9)H(7)N(2))(2)(C(12)H(8)N(2))]PF(6), 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 [PF(6)](−) 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 octa­hedral C(2)N(4) coordination set. In the crystal structure, the [Ir(ppz)(2)(phen)](+) cations and PF(6) (−) 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 (P2(1)/c) comprising 1.5CH(2)Cl(2) solvent mol­ecules per ion pair. International Union of Crystallography 2020-05-05 /pmc/articles/PMC7274009/ /pubmed/32523743 http://dx.doi.org/10.1107/S2056989020005861 Text en © Zeng et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Zeng, Juxiang
Tang, Guodong
Qian, Jun
Synthesis and crystal structure of (1,10-phenanthroline-κ(2) N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ(2) N (2),C (1)]iridium(III) hexa­fluorido­phosphate with an unknown number of solvent mol­ecules
title Synthesis and crystal structure of (1,10-phenanthroline-κ(2) N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ(2) N (2),C (1)]iridium(III) hexa­fluorido­phosphate with an unknown number of solvent mol­ecules
title_full Synthesis and crystal structure of (1,10-phenanthroline-κ(2) N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ(2) N (2),C (1)]iridium(III) hexa­fluorido­phosphate with an unknown number of solvent mol­ecules
title_fullStr Synthesis and crystal structure of (1,10-phenanthroline-κ(2) N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ(2) N (2),C (1)]iridium(III) hexa­fluorido­phosphate with an unknown number of solvent mol­ecules
title_full_unstemmed Synthesis and crystal structure of (1,10-phenanthroline-κ(2) N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ(2) N (2),C (1)]iridium(III) hexa­fluorido­phosphate with an unknown number of solvent mol­ecules
title_short Synthesis and crystal structure of (1,10-phenanthroline-κ(2) N,N′)[2-(1H-pyrazol-1-yl)phenyl-κ(2) N (2),C (1)]iridium(III) hexa­fluorido­phosphate with an unknown number of solvent mol­ecules
title_sort synthesis and crystal structure of (1,10-phenanthroline-κ(2) n,n′)[2-(1h-pyrazol-1-yl)phenyl-κ(2) n (2),c (1)]iridium(iii) hexa­fluorido­phosphate with an unknown number of solvent mol­ecules
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7274009/
https://www.ncbi.nlm.nih.gov/pubmed/32523743
http://dx.doi.org/10.1107/S2056989020005861
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