Catena-μ-(3,5-diamino-1,2,4-triazole N1, N3)-bis(thiocyanato-N) cadmium(II): Synthesis,crystal and molecular structure,and infrared and Raman characterization

The title compound (C₆H₁₀CdN₁₂S₂) was prepared and characterized by means of X-ray, Raman, and IR measurements. The crystals are orthorhombic:Pbcn, (No. 60),a=9.558(2),b=9.491(2),c=15.898(2) Å,Z=4. The structure was solved by the heavy-atom method, and least-squares refinement of structural parameters led toR=0.021 (R_w=0.020) for 863 independent reflections. The compound exhibits two-dimensional Cd(II) networks, with the 1,2,4-triazole molecule acting as a bidentate bridging ligand. The structure consists of centrosymmetric units, in which the cadmium atoms are coordinated in distorted octahedral geometries by six nitrogen atoms. Each cadmium atom is linked by four 1,2,4-triazole molecules, and two thiocyanate ions complete the octahedral coordination around the metal. Each 1,2,4-triazole molecule bridges two cadmium atoms. The NH and NH₂ groups of the guanazole unit are involved in intermolecular hydrogen bonds. Infrared and Raman bands are diagnostic of the coordination environments around the metal atoms.