A [Cu3(μ3-O)]-pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3

Logesh Mathivathanan; Raquel Cruz; Raphael G Raptis

doi:10.1107/S2056989016003741

A [Cu3(μ3-O)]-pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3

Acta Crystallogr E Crystallogr Commun. 2016 Mar 15;72(Pt 4):492-4. doi: 10.1107/S2056989016003741. eCollection 2016 Apr 1.

Authors

Logesh Mathivathanan¹, Raquel Cruz¹, Raphael G Raptis¹

Affiliation

¹ Department of Chemistry, University of Puerto Rico - Rio Piedras, San Juan 00936, Puerto Rico, USA.

Abstract

The trinuclear triangular cuprate anion of the title compound, tris-[bis-(tri-phenyl-phospho-ranyl-idene)ammonium] tris-(μ2-4-chloro-pyrazolato-κ(2) N:N')-μ3-oxido-tris-[(nitrato-κ(2) O,O')cuprate(II)] nitrate monohydrate, (C36H30P2N)[Cu3(C3H2ClN2)3(NO3)3O]NO3·H2O, has point group symmetry 3., with the μ3-O atom located on the threefold rotation axis. The distorted square-pyramidal coordination sphere of the Cu(II) atom is completed by two N atoms of trans-bridging pyrazolate groups and a chelating nitrate anion. The complex anion is slightly bent, with the nitrate and pyrazolate groups occupying positions above and below the Cu3 plane, respectively. In the crystal, weak O-H⋯O and C-H⋯O hydrogen bonds, as well as π-π inter-actions, are present.

Keywords: copper–pyrazolate complex; crystal structure; terminal nitrate ligands.