Tris-(μ4-azepane-1-carbodi-thio-ato)bis-(μ3-azepane-1-carbodi-thio-ato)-μ9-bromido-tetra-μ2-bromido-octa-copper(I)-copper(II)

Takashi Okubo; Haruho Anma; Masahiko Maekawa; Takayoshi Kuroda-Sowa

doi:10.1107/S1600536813009938

Tris-(μ4-azepane-1-carbodi-thio-ato)bis-(μ3-azepane-1-carbodi-thio-ato)-μ9-bromido-tetra-μ2-bromido-octa-copper(I)-copper(II)

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):m275-6. doi: 10.1107/S1600536813009938. Print 2013 May 1.

Authors

Takashi Okubo¹, Haruho Anma, Masahiko Maekawa, Takayoshi Kuroda-Sowa

Affiliation

¹ Department of Chemistry, Faculty of Science and Engineering, Kinki University, Higashi-Osaka, Osaka 577-8502, Japan ; PRESTO, Japan Science and Technology Agency (JST), Japan.

Abstract

The reaction of Cu(Hm-dtc)2 (H2m-dtc is azepane-1-carbodi-thioic acid), CuBr2 and methyl iso-thio-cyanate yielded the title mixed-valence nona-nuclear Cu(I)/Cu(II) compound, [Cu9Br5(C7H12NS2)5] or [Cu(I) 8Cu(II)Br5(Hm-dtc)5], encapsulating a bromide anion in the center of the Cu9Br4S10 cluster cage. The cage consists of a mononuclear Cu(II) unit [Cu(Hm-dtc)2], three μ4-bridging Hm-dtc(-) ligands, eight Cu(I) ions with distorted tetra-hedral or trigonal pyramidal coordination geometries and four μ2-bridging bromide anions. The incorporated central bromide anion inter-acts with nine Cu ions with shorter Cu-Br separations than the sum of the van der Waals radii for Cu and Br.