POWDER ROUTE TO CRYSTAL-STRUCTURES - X-RAY-POWDER DIFFRACTION DETERMINATION OF POLYMERIC SILVER IMIDAZOLATE

Silver imidazolate has been synthesized and its solid-state structure determined, ab initio. from conventional X-ray powder diffraction data only. The crystals are orthorhombic, space group P2(1)2(1)2(1), with a = 5.5759(4), b = 6.7452(4), c = 22.174(1) Angstrom, U = 834.0(1) Ang strom>(3), Z = 8, D-c = 2.786 g cm(-3). The structure was solved by a real-space scavenger technique and refined by the Rietveld method down to R(p) and R(F) values of 0.062 and 0.027, respectively, for 4401 da ta points (1262 reflections) measured at room temperature in the 17-10 5 degrees (2 theta) range. The crystal structure of [{Ag(im)}(n)] (Him = imidazole) consists of a complex packing of polymeric chains foldin g about the crystallographic c axis, containing linearly co-ordinated silver atoms joined by imidazolate fragments. Short interchain Ag ... Ag contacts [3.161(4) Angstrom] were observed.