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(2,2'-Bipyrid-yl-?(2) N,N')bis-(?(5)-penta-methyl-cyclo-penta-dien-yl)barium.


ABSTRACT: In the title compound, [Ba(C10H15)2(C10H8N2)], the Ba-N distances are 2.798?(3) and 2.886?(3)?Å, and the Cp ring centroid distances to Ba(2+) are 2.7291?(7) and 2.7192?(9)?Å. The angle between the N atoms in the bypyridine ligand and the metal ion is 56.80?(8)° and the N-C-C-N torsion angle in the bi-pyridine ligand is 1.7?(4)°. The bi-pyridine ligand is almost planar, the dihedral angle formed by the intersection of the planes defined by the pyridyl rings being 3.04?(19)°, and the angle between the plane defined by the Ba(2+) ion and the two bipyridyl N atoms and the plane defined by the 12 atoms of the bi-pyridine ligand is 10.2?(3)°. The average Ba-N and Ba-centroid distances are 0.16 and 0.14?Å longer, respectively, than the equivalent distances in the isotypic strontium compound [Kazhdan et al. (2008 ?). Acta Cryst. E64, m1134]. This difference is in accord with the difference between the ionic radii of 0.16?Å suggested by Shannon [Acta Cryst. (1976 ?), A32, 751-767].

SUBMITTER: Kazhdan D 

PROVIDER: S-EPMC3793675 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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(2,2'-Bipyrid-yl-κ(2) N,N')bis-(η(5)-penta-methyl-cyclo-penta-dien-yl)barium.

Kazhdan Daniel D   Rozenel Sergio S SS  

Acta crystallographica. Section E, Structure reports online 20130703 Pt 8


In the title compound, [Ba(C10H15)2(C10H8N2)], the Ba-N distances are 2.798 (3) and 2.886 (3) Å, and the Cp ring centroid distances to Ba(2+) are 2.7291 (7) and 2.7192 (9) Å. The angle between the N atoms in the bypyridine ligand and the metal ion is 56.80 (8)° and the N-C-C-N torsion angle in the bi-pyridine ligand is 1.7 (4)°. The bi-pyridine ligand is almost planar, the dihedral angle formed by the intersection of the planes defined by the pyridyl rings being 3.04 (19)°, and the angle between  ...[more]

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