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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4420076 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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