Synthesis, crystal structure, and magnetic property of a cyano involved ion-pair complex based on macrocyclic metallic tecton and [Ni(CN)4]2–

A cyano-bridged nickel(II) complex [NiL]2{[NiL][Ni(CN)4]2}2 · H2O (III) (L = 1,3,10,12,15,18-hexaazatetracyclo[16,2,1,112.15,04.9]docosane), based on macrocyclic metallic tecton and diamagnetic [Ni(CN)4]2– has been synthesized and characterized by physico-chemical methods, as well as single crystal X-ray determination (CIF file CCDC no. 1038635). The crystal belongs to orthorhombic, space group: P212121, with a = 15.410(3), b = 15.752(3), c = 19.134(4) Å, Mr = 2137.74 g mol–1, Z = 2, V = 4644.6(16) Å3 (CIF file CCDC no. 1038635). Single X-ray diffraction analysis reveals that complex I shows a ion-pair type structure which consists of two fragments [NiL]2+ and {[NiL][Ni(CN)4]2}2–. In this complex, each {[NiL][Ni(CN)4]2}2– binds two [NiL]2+, resulting a hydrogen-bonded 1D chain. In additional, the magnetic properties were studied.