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Acta Crystallogr C. 2013 Jun;69(Pt 6):610-2. doi: 10.1107/S0108270113011992. Epub 2013 May 15.

A novel two-dimensional CuSCN network templated by 2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1H-imidazol-3-ium) cations.

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Key Laboratory of Special Functional Aggregated Materials, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People's Republic of China.


The cation-templated self-assembly of 1,4-bis(2-methyl-1H-imidazol-1-yl)butane (bmimb) with CuSCN gives rise to a novel two-dimensional network, namely catena-poly[2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1H-imidazol-3-ium) [tetra-μ2-thiocyanato-κ(4)S:S;κ(4)S:N-dicopper(I)]], {(C12H20N4)[Cu2(NCS)4]}n. The Cu(I) cation is four-coordinated by one N and three S atoms, giving a tetrahedral geometry. One of the two crystallographically independent SCN(-) anions acts as a μ2-S:S bridge, binding a pair of Cu(I) cations into a centrosymmetric [Cu2(NCS)2] subunit, which is further extended into a two-dimensional 4(4)-sql net by another kind of SCN(-) anion with an end-to-end μ2-S:N coordination mode. Interestingly, each H2bmimb dication, lying on an inversion centre, threads through one of the windows of the two-dimensional 4(4)-sql net, giving a pseudorotaxane-like structure. The two-dimensional 4(4)-sql networks are packed into the resultant three-dimensional supramolecular framework through bmimb-SCN N-H···N hydrogen bonds.

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