A new mononuclear CuⅢ complex of DACO [Cu(DACO)2(SCN)]·(SCN)·2H2O (1) was prepared by introducing a co-ligand SCN- anion. The crystal structure of 1 was determined by X-ray diffraction analysis. The crystallographic data are: monoclinic, P21, a=0.728 5(4) nm, b=2.4790(15) nm, c=1.0697(6) nm, β=93.861(10)°, V=1.927(2) nm3, Z=4. The CuⅡ atom takes the square-pyramidal coordination geometry. The SCN- anions adopt both monodentate coordination and uncoordinated forms in the crystal. The coordinated cation, SCN- counter anion and the lattice water molecules are further linked through hydrogen bonds to form a one-dimensional chain motif. The spectral and thermal properties of 1 were studied. CCDC: 243104.
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