Okubo Takashi, Anma Haruho, Maekawa Masahiko, Kuroda-Sowa Takayoshi
Department of Chemistry, Faculty of Science and Engineering, Kinki University, Higashi-Osaka, Osaka 577-8502, Japan ; PRESTO, Japan Science and Technology Agency (JST), Japan.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):m275-6. doi: 10.1107/S1600536813009938. Print 2013 May 1.
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.
Cu(Hm-dtc)2（H2m-dtc为氮杂环庚烷-1-碳二硫代酸）、CuBr2与甲基异硫氰酸酯反应生成了标题混合价态九核Cu(I)/Cu(II)化合物[Cu9Br5(C7H12NS2)5]或[Cu(I)8Cu(II)Br5(Hm-dtc)5]，其在Cu9Br4S10簇笼中心包封了一个溴阴离子。该笼由一个单核Cu(II)单元[Cu(Hm-dtc)2]、三个μ4-桥连Hm-dtc(-)配体、八个具有扭曲四面体或三角锥配位几何构型的Cu(I)离子以及四个μ2-桥连溴阴离子组成。掺入的中心溴阴离子与九个Cu离子相互作用，其Cu-Br间距比Cu和Br的范德华半径之和短。
