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Crystal structure of μ-peroxido-κ(4) O (1),O (2):O (1′),O (2′)-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)dioxidouranium(VI)]

In the title dimeric complex, [{UO(2)(NO(3))(C(15)H(11)N(3))}(2)O(2)], a peroxide ion bridges the two uran­yl(VI) [O=U=O](2+) ions. The O—O bond length of the peroxide is 1.485 (6) Å and the mid-point of this bond is located at the inversion centre of the dimer. The U atom exhibits a distorted hexa­...

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Autores principales: Kawasaki, Takeshi, Kitazawa, Takafumi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420076/
https://www.ncbi.nlm.nih.gov/pubmed/25995895
http://dx.doi.org/10.1107/S2056989015007987
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author Kawasaki, Takeshi
Kitazawa, Takafumi
author_facet Kawasaki, Takeshi
Kitazawa, Takafumi
author_sort Kawasaki, Takeshi
collection PubMed
description In the title dimeric complex, [{UO(2)(NO(3))(C(15)H(11)N(3))}(2)O(2)], a peroxide ion bridges the two uran­yl(VI) [O=U=O](2+) ions. The O—O bond length of the peroxide is 1.485 (6) Å and the mid-point of this bond is located at the inversion centre of the dimer. The U atom exhibits a distorted hexa­gonal–bipyramidal coordination geometry with two uran­yl(VI) O atoms occupying the axial positions and one O atom of the monodentate nitrate ion, both O atoms of the peroxide ion and the three N atoms of the chelating tridentate 2,2′:6′,2′′-terpyridine (terpy) ligand in the equatorial positions. Two of the N atoms of the terpy ligand lie above and below the mean plane containing the equatorial ligand atoms and the U atom [deviations from the mean plane: maximum 0.500 (2), minimum −0.472 (2) and r.m.s. = 0.2910 Å]. The dihedral angle between the terpy ligand and the mean plane is 35.61 (7)°. The bond lengths around the U atom decrease in the order U—N > U—O(nitrate) > U—O(peroxo) > U=O. The dimeric complexes pack in a three-dimensional network held together by weak π–π inter­actions [centroid–centroid distance = 3.659 (3) Å] between pyridyl rings of the terpy ligands in neighbouring dimers, together with inter­molecular C—H⋯O and C—H⋯π inter­actions. Weak intra­molecular C—H⋯O inter­actions are also observed.
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spelling pubmed-44200762015-05-20 Crystal structure of μ-peroxido-κ(4) O (1),O (2):O (1′),O (2′)-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)dioxidouranium(VI)] Kawasaki, Takeshi Kitazawa, Takafumi Acta Crystallogr E Crystallogr Commun Data Reports In the title dimeric complex, [{UO(2)(NO(3))(C(15)H(11)N(3))}(2)O(2)], a peroxide ion bridges the two uran­yl(VI) [O=U=O](2+) ions. The O—O bond length of the peroxide is 1.485 (6) Å and the mid-point of this bond is located at the inversion centre of the dimer. The U atom exhibits a distorted hexa­gonal–bipyramidal coordination geometry with two uran­yl(VI) O atoms occupying the axial positions and one O atom of the monodentate nitrate ion, both O atoms of the peroxide ion and the three N atoms of the chelating tridentate 2,2′:6′,2′′-terpyridine (terpy) ligand in the equatorial positions. Two of the N atoms of the terpy ligand lie above and below the mean plane containing the equatorial ligand atoms and the U atom [deviations from the mean plane: maximum 0.500 (2), minimum −0.472 (2) and r.m.s. = 0.2910 Å]. The dihedral angle between the terpy ligand and the mean plane is 35.61 (7)°. The bond lengths around the U atom decrease in the order U—N > U—O(nitrate) > U—O(peroxo) > U=O. The dimeric complexes pack in a three-dimensional network held together by weak π–π inter­actions [centroid–centroid distance = 3.659 (3) Å] between pyridyl rings of the terpy ligands in neighbouring dimers, together with inter­molecular C—H⋯O and C—H⋯π inter­actions. Weak intra­molecular C—H⋯O inter­actions are also observed. International Union of Crystallography 2015-04-25 /pmc/articles/PMC4420076/ /pubmed/25995895 http://dx.doi.org/10.1107/S2056989015007987 Text en © Kawasaki and Kitazawa 2015 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 Data Reports
Kawasaki, Takeshi
Kitazawa, Takafumi
Crystal structure of μ-peroxido-κ(4) O (1),O (2):O (1′),O (2′)-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)dioxidouranium(VI)]
title Crystal structure of μ-peroxido-κ(4) O (1),O (2):O (1′),O (2′)-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)dioxidouranium(VI)]
title_full Crystal structure of μ-peroxido-κ(4) O (1),O (2):O (1′),O (2′)-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)dioxidouranium(VI)]
title_fullStr Crystal structure of μ-peroxido-κ(4) O (1),O (2):O (1′),O (2′)-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)dioxidouranium(VI)]
title_full_unstemmed Crystal structure of μ-peroxido-κ(4) O (1),O (2):O (1′),O (2′)-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)dioxidouranium(VI)]
title_short Crystal structure of μ-peroxido-κ(4) O (1),O (2):O (1′),O (2′)-bis­[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ(3) N,N′,N′′)dioxidouranium(VI)]
title_sort crystal structure of μ-peroxido-κ(4) o (1),o (2):o (1′),o (2′)-bis­[(nitrato-κo)(2,2′:6′,2′′-terpyridine-κ(3) n,n′,n′′)dioxidouranium(vi)]
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420076/
https://www.ncbi.nlm.nih.gov/pubmed/25995895
http://dx.doi.org/10.1107/S2056989015007987
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