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(Tris{2-[(5-chloro-2-oxido-benzyl-idene-?O)amino-?N]eth-yl}amine-?N)-ytterbium(III): crystal structure and Hirshfeld surface analysis.

ABSTRACT: The YbIII atom in the title complex, [Yb(C27H24Cl3N4O3)] [systematic name: (2,2',2''-{(nitrilo)-tris-[ethane-2,1-di-yl(nitrilo)-methylyl-idene]}tris-(4-chloro-phenolato)ytterbium(III)], is coordinated by a trinegative, hepta-dentate ligand and exists within an N4O3 donor set, which defines a capped octa-hedral geometry whereby the amine N atom caps the triangular face defined by the three imine N atoms. The packing features supra-molecular layers that stack along the a axis, sustained by a combination of aryl-C-H?O, imine-C-H?O, methyl-ene-C-H??(ar-yl) and end-on C-Cl??(ar-yl) inter-actions. A Hirshfeld surface analysis points to the major contributions of C?H/ H?C and Cl?H/H?Cl inter-actions (along with H?H) to the overall surface but the Cl?H contacts are at distances greater than the sum of their van der Waals radii.

SUBMITTER: Lee SM 

PROVIDER: S-EPMC5050761 | biostudies-literature | 2016 Oct

REPOSITORIES: biostudies-literature

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(Tris{2-[(5-chloro-2-oxido-benzyl-idene-κ<i>O</i>)amino-κ<i>N</i>]eth-yl}amine-κ<i>N</i>)-ytterbium(III): crystal structure and Hirshfeld surface analysis.

Lee See Mun SM   Lo Kong Mun KM   Tan Sang Loon SL   Tiekink Edward R T ER  

Acta crystallographica. Section E, Crystallographic communications 20160905 Pt 10

The Yb<sup>III</sup> atom in the title complex, [Yb(C<sub>27</sub>H<sub>24</sub>Cl<sub>3</sub>N<sub>4</sub>O<sub>3</sub>)] [systematic name: (2,2',2''-{(nitrilo)-tris-[ethane-2,1-di-yl(nitrilo)-methylyl-idene]}tris-(4-chloro-phenolato)ytterbium(III)], is coordinated by a trinegative, hepta-dentate ligand and exists within an N<sub>4</sub>O<sub>3</sub> donor set, which defines a capped octa-hedral geometry whereby the amine N atom caps the triangular face defined by the three imine N atoms. The p  ...[more]

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