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The inclusion compound constituted with three-dimensional metal-complex Cd(pn)Ni(CN)4 has been prepared and determined the crystal structure from single crystal X-ray diffraction data. Crystal data are as follows: [Cd(pn)Ni(CN)4]·0.5(CH3COCH3·H2O), Fw = 387.35, Orthorhombic, Pn21a, a = 13.950(3) Å, b = 26.713(7) Å, c = 7.628(1) Å, V = 2843(1) Å3, Z = 4, Dx = 1.81 gcm-3, μ(MoKα) = 28.153 cm-1, T = 297K, final R = 0.0418 for 3521(Fo > 3σ(Fo)). The metal-complex host provides tunnel cavity, similar to thiourea inclusion compounds, accommodated guest molecules (=CH3COCH3 and H2O). The stoichiometric host: guest ratio is 0.5. The title inclusion compound reveals another evidence for the host-selectivity, that is, the branched aliphatic guest molecule leads T-type host structure.
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