A New Copper(I) Iodide Coordination Polymer Incorporating Cu2I2 Double-stranded Stair: Synthesis, Crystal Structure and Luminescent Property

A new coordination compound, [(CuI)(Btd)](n) (1, Btd = 2,1,3-benzothiadiazole), was obtained at room temperature by the reaction of 2,1,3-benzothiadiazole with CuI and KI saturated aqueous solution. It was characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis and photoluminescence. The complex crystallizes in the triclinic Pi space group, with a = 4.1620(6), b = 10.4590(15), c = 10.5052(15) angstrom, alpha = 69.310(2), beta = 83.608(2), gamma = 78.873(2)degrees, V = 419.30(10) angstrom(3), Z = 2, C6H4N2SCuI, M-r = 326.61, D-c = 2.587 g/cm(3), F(000) = 304 and mu(MoK alpha) = 6.464 mm(-1). The final R = 0.0418 and wR = 0.0936 for 1451 observed reflections with I > 2 sigma(I) and R = 0.0422 and wR = 0.0939 for all data. In the complex, the Cu atoms are coordinated by one nitrogen atom and three iodine atoms to form a double-stranded stair, and such stairs are further linked to build a 2D framework via C-H center dot center dot center dot I interactions.