Synthesis and structure of Cu3PO4[1,2,4-triazole]2OH with a hybrid layered structure: A new organically templated copper (II) hydroxyphosphate

A new layered copper hydroxyphosphate Cu3PO4(1,2,4-triazole)2OH was synthesized by the mild hydrothermal route and the crystal structure was solved by the single crystal X-ray diffraction method. This compound crystallizes in the monoclinic space group P21/a with: a = 10.1456(5) Å, b = 7.8756(4) Å, c = 12.9008(6) Å, β = 111.64(2)°, V = 960.86(8) Å3, Z = 4, Dx = 3.033 g cm−3. The Cu(II) atoms are embedded in deformed square-pyramidal (Cu1 and Cu3) or octahedral (Cu2) sites made of N and O (or OH) atoms. Both Cu1 and Cu2 polyhedra form dimers connected one to each other, via OH groups, in ribbons which built a bidimensional (001) layer through PO4 connections. The Cu3 polyhedra built a (001) double-sheet layer through triazol connections. These layers are bridged by triazole and PO4 groups along the c-direction yielding a lamellar arrangement. Its structural analysis evidences a two-dimensional character for this copper hybrid material which could begin a new series of MOF compounds.

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