Crystal structure of the one-dimensional dihalide-bridged polymer dibromobis(thiazole)nickel(II) by powder neutron diffraction

Abstract

The polymeric compound Ni(tz)₂Br₂ (tz = 1,3-thiazole) has been synthesized by the addition of thiazole to an ethanolic solution of anhydrous NiBr₂. Powder X-ray and neutron diffraction measurements were used for structural determination. An attempt to solve the structure using powder X-ray diffraction data was unsuccessful due to the presence of unrefinable preferred orientation, a consequence of the needle-like nature of the microcrystalline powder. The structure was determined using powder neutron diffraction data and Rietveld techniques: space group I2/a, a = 17.8854(7), b = 3.7705(2), c = 15.0919(7) Å, β = 92.0007(3)°, U = 1017.13(8) ų, Z = 4. The structure consists of pseudo-octahedral units, doubly linked by halide bridges to form infinite linear chains.