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Crystal structure of ?-peroxido-?(4) O (1),O (2):O (1'),O (2')-bis-[(nitrato-?O)(2,2':6',2''-terpyridine-?(3) N,N',N'')dioxidouranium(VI)].


ABSTRACT: In the title dimeric complex, [{UO2(NO3)(C15H11N3)}2O2], a peroxide ion bridges the two uran-yl(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-gonal-bipyramidal coordination geometry with two uran-yl(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-Onitrate > U-Operoxo > U=O. The dimeric complexes pack in a three-dimensional network held together by weak ?-? inter-actions [centroid-centroid distance = 3.659?(3)?Å] between pyridyl rings of the terpy ligands in neighbouring dimers, together with inter-molecular C-H?O and C-H?? inter-actions. Weak intra-molecular C-H?O inter-actions are also observed.

SUBMITTER: Kawasaki T 

PROVIDER: S-EPMC4420076 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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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)].

Kawasaki Takeshi T   Kitazawa Takafumi T  

Acta crystallographica. Section E, Crystallographic communications 20150425 Pt 5


In the title dimeric complex, [{UO2(NO3)(C15H11N3)}2O2], a peroxide ion bridges the two uran-yl(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-gonal-bipyramidal coordination geometry with two uran-yl(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 chelat  ...[more]

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