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

See Mun Lee; Kong Mun Lo; Sang Loon Tan; Edward R T Tiekink

doi:10.1107/S2056989016013748

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

Acta Crystallogr E Crystallogr Commun. 2016 Sep 5;72(Pt 10):1390-1395. doi: 10.1107/S2056989016013748. eCollection 2016 Oct 1.

Authors

See Mun Lee¹, Kong Mun Lo¹, Sang Loon Tan¹, Edward R T Tiekink¹

Affiliation

¹ Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.

Abstract

The Yb^III 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⋯π(ar-yl) and end-on C-Cl⋯π(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.

Keywords: Hirshfeld surface analysis; coordination complex; crystal structure; heptadentate ligand; lanthanide.