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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...

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Autores principales: Chen, Weizhong, Rein, Francisca N., Scott, Brian L., Rocha, Reginaldo C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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