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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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. |
format | Online Article Text |
id | pubmed-7274009 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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