Crystal structure of μ6-chlorido-nona-kis-(μ-4-chloro-pyrazolato)bis-μ3-methoxo-hexa-copper(II)

Kaige Shi; Logesh Mathivathanan; Raphael G Raptis

doi:10.1107/S2056989017001189

Crystal structure of μ₆-chlorido-nona-kis-(μ-4-chloro-pyrazolato)bis-μ₃-methoxo-hexa-copper(II)

Acta Crystallogr E Crystallogr Commun. 2017 Jan 27;73(Pt 2):266-269. doi: 10.1107/S2056989017001189. eCollection 2017 Feb 1.

Authors

Kaige Shi¹, Logesh Mathivathanan¹, Raphael G Raptis¹

Affiliation

¹ Department of Chemistry and Biochemistry, Florida International University, 11200 SW 8th Street, Miami, FL 33199, USA.

Abstract

The hexa-nuclear title compound, [{Cu₃(μ₃-OCH₃)(μ-C₃H₂ClN₂)₃}₂(μ-C₃H₂ClN₂)₃(μ₆-Cl)] or [Cu₆(C₃H₂ClN₂)₉(CH₃O)₂Cl], crystallizes in the space group Pbcn, with individual mol-ecules being located on a twofold rotation axis. The mol-ecule adopts a trigonal prismatic shape, with two trinuclear units linked by three 4-chloro-pyrazolate ligand bridges by encapsulating a Cl^- anion in a μ₆-coordination mode. In the crystal, individual mol-ecules are stacked into rods parallel to [1-10] that are arranged in a pseudo-hexa-gonal packing. Cohesion between mol-ecules is accomplished through weak C-H⋯Cl inter-actions.

Keywords: chloride encapsulation; crystal structure; trigonal prismatic hexanuclear copper pyrazolate; μ6-Cl coordination.