Two New Metal-organic Frameworks Constructed from 3,4,5-Substituted-1,2,4-Triazole Ligands

Two new complexes, [Zn(L1)(2)(SCN)(2)].H2O (1, L1 = 3,5-dimethy1-4-p-toly1-4H-1,2,4-triazole and [Cd-3(L2)(6)(SCN)(6)] (2, L2 = 3,5-dimethyl-4-phenyl-4H-1,2,4-triazole), have been hydrothermally prepared and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and PXRD. Complex 1 crystallizes in monoclinic, space group P2(1)/n with a = 11.246(13), b = 9.640(11), c = 26.13(3) angstrom, beta = 100.97(3), V= 1108.5(3) angstrom(3), Z = 4, C24H28N8OS2Zn, M-r = 572.02, D-c = 1.366 g/cm(3), mu = 1.065 mm(-1), S = 0.992, F(000) = 1184, the final R = 0.0602 and wR = 0.1700 for 2925 observed reflections (I > 2 sigma(I)). Complex 2 crystallizes in triclinic, space group P (1) over bar with a = 11.6669(3), b = 12.0957(2), c = 14.3674(3) angstrom, alpha = 105.380(3), beta = 91.020(2), gamma = 92.4100(10)degrees, V = 1952.30(7) angstrom(3), Z = 1, C66H66N24S6Cd3, M-r = 1725.08, D-c = 1.467 g/cm(3), mu = 1.025 mm(-1), S = 1.037, F(000) = 870, the final R = 0.0336 and wR = 0.0946 for 7819 observed reflections (I> 2 sigma(I)). In the title complexes, complex 1 is a mononuclear molecule where the centre Zn(II) coordinates to two 3,4,5-substituted 1,2,4-triazole ligands (L1) and two terminal SCN- anions in a tetrahedral environment while six-coordinated centre Cd(II) atoms with octahedral geometry in complex 2 are bridged by virtue of substituted 1,2,4-triazole (L2) in N1,/V2-bridging mode and mu(2)-N,N-SCN- anions into a trinuclear molecule.