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(2,2′-Bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate
The cationic complex in the title compound, [RuCl(C(10)H(8)N(2))(C(19)H(20)N(3)O(3)P)]PF(6)·0.83CH(3)CN·0.17H(2)O, is a water-oxidation precatalyst functionalized for TiO(2) attachment via terpyridine phosphonate. The The Ru(II) atom in the complex has a distorted octahedral geometry due to the re...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884400/ https://www.ncbi.nlm.nih.gov/pubmed/24427002 http://dx.doi.org/10.1107/S1600536813022940 |
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author | Chen, Weizhong Rein, Francisca N. Scott, Brian L. Rocha, Reginaldo C. |
author_facet | Chen, Weizhong Rein, Francisca N. Scott, Brian L. Rocha, Reginaldo C. |
author_sort | Chen, Weizhong |
collection | PubMed |
description | The cationic complex in the title compound, [RuCl(C(10)H(8)N(2))(C(19)H(20)N(3)O(3)P)]PF(6)·0.83CH(3)CN·0.17H(2)O, is a water-oxidation precatalyst functionalized for TiO(2) attachment via terpyridine phosphonate. The The Ru(II) atom in the complex has a distorted octahedral geometry due to the restricted bite angle [159.50 (18)°] of the terpyridyl ligand. The dihedral angle between the least-squares planes of the terpyridyl and bipyridyl moieties is 86.04 (14)°. The mean Ru—N bond length for bipyridine is 2.064 (5) Å, with the bond opposite to Ru—Cl being 0.068 Å shorter. For the substituted terpyridine, the mean Ru—N distance involving the outer N atoms trans to each other is 2.057 (6) Å, whereas the bond length involving the central N atom is 1.944 (5) Å. The Ru—Cl distance is 2.4073 (15) Å. The P atom of the phosphonate group lies in the same plane as its adjacent pyridyl ring, with the ordinary character of the bond between P and C(tpy) [1.801 (6) Å] allowing for free rotation of the terpyridine substituent around the P—C(tpy) axis. The acetonitrile solvent molecule was refined to be disordered with two water molecules; occupancies for the acetontrile and water molecules were 0.831 (9) and 0.169 (9), respectively. Also disordered was the PF(6) (−) counter-ion (over three positions) and one of the ethoxy substituents (with two positions). The crystal structure shows significant intra- and intermolecular H⋯X contacts, especially some involving the Cl(−) ligand. |
format | Online Article Text |
id | pubmed-3884400 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38844002014-01-14 (2,2′-Bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate Chen, Weizhong Rein, Francisca N. Scott, Brian L. Rocha, Reginaldo C. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The cationic complex in the title compound, [RuCl(C(10)H(8)N(2))(C(19)H(20)N(3)O(3)P)]PF(6)·0.83CH(3)CN·0.17H(2)O, is a water-oxidation precatalyst functionalized for TiO(2) attachment via terpyridine phosphonate. The The Ru(II) atom in the complex has a distorted octahedral geometry due to the restricted bite angle [159.50 (18)°] of the terpyridyl ligand. The dihedral angle between the least-squares planes of the terpyridyl and bipyridyl moieties is 86.04 (14)°. The mean Ru—N bond length for bipyridine is 2.064 (5) Å, with the bond opposite to Ru—Cl being 0.068 Å shorter. For the substituted terpyridine, the mean Ru—N distance involving the outer N atoms trans to each other is 2.057 (6) Å, whereas the bond length involving the central N atom is 1.944 (5) Å. The Ru—Cl distance is 2.4073 (15) Å. The P atom of the phosphonate group lies in the same plane as its adjacent pyridyl ring, with the ordinary character of the bond between P and C(tpy) [1.801 (6) Å] allowing for free rotation of the terpyridine substituent around the P—C(tpy) axis. The acetonitrile solvent molecule was refined to be disordered with two water molecules; occupancies for the acetontrile and water molecules were 0.831 (9) and 0.169 (9), respectively. Also disordered was the PF(6) (−) counter-ion (over three positions) and one of the ethoxy substituents (with two positions). The crystal structure shows significant intra- and intermolecular H⋯X contacts, especially some involving the Cl(−) ligand. International Union of Crystallography 2013-08-21 /pmc/articles/PMC3884400/ /pubmed/24427002 http://dx.doi.org/10.1107/S1600536813022940 Text en © Chen et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Metal-Organic Papers Chen, Weizhong Rein, Francisca N. Scott, Brian L. Rocha, Reginaldo C. (2,2′-Bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate |
title | (2,2′-Bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate |
title_full | (2,2′-Bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate |
title_fullStr | (2,2′-Bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate |
title_full_unstemmed | (2,2′-Bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate |
title_short | (2,2′-Bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate |
title_sort | (2,2′-bipyridine)chlorido[diethyl (2,2′:6′,2′′-terpyridin-4-yl)phosphonate]ruthenium(ii) hexafluoridophosphate acetonitrile/water solvate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884400/ https://www.ncbi.nlm.nih.gov/pubmed/24427002 http://dx.doi.org/10.1107/S1600536813022940 |
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