Abstract

The title neutral copper complex, [Cu2Cl4(C8H17N3O2)2], shows a binuclear center with a Cu—(μ-Cl)2—Cu core, in which each copper ion is coordinated by the N,N,O donor atoms of the tridentate ligand 1,4,6-trimethyl-6-nitro-1,4-diazepine (meaaz-NO2) and three chloride exogenous ligands. Each metal ion is facially coordinated by meaaz-NO2 through N,N,O donor atoms, whereas two bridging and one terminal chloride ions occupy the other face of the highly Jahn–Teller-distorted octa­hedron. Two N atoms from tertiary amine groups of the meaaz-NO2 ligand and two exogenous Cl atoms with short Cu—N and Cu—Cl distances define the equatorial plane. The coordination around each CuII ion is completed by another Cl atom and an O atom from the NO2 group, in the axial positions. The binuclear complex exhibits a centrosymmetric structure with point symmetry .

Highlights

  • The title neutral copper complex, [Cu2Cl4(C8H17N3O2)2], shows a binuclear center with a Cu—(-Cl)2—Cu core, in which each copper ion is coordinated by the N,N,O donor atoms of the tridentate ligand 1,4,6-trimethyl-6-nitro-1,4diazepine and three chloride exogenous ligands

  • Each metal ion is facially coordinated by meaaz-NO2 through N,N,O donor atoms, whereas two bridging and one terminal chloride ions occupy the other face of the highly Jahn–Tellerdistorted octahedron

  • The coordination around each CuII ion is completed by another Cl atom and an O atom from the NO2 group, in the axial positions

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Summary

Structure Reports Online

Adailton J. Bortoluzzi,* Ademir Neves, Rosely A. Peralta, Tiago P. Camargo and Vitor C. Weiss Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.004 A; R factor = 0.030; wR factor = 0.083; data-to-parameter ratio = 17.1. Crystal data [Cu2Cl4(C8H17N3O2)2] Mr = 643.37 Monoclinic, P21=n a = 10.5478 (2) Ab = 10.9251 (2) Ac = 11.4430 (2) A = 102.297 (1)

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