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) Angstrom>(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 data points (1262 reflections) measured at room temperature in the 17-105 degrees (2 theta) range. The crystal structure of [{Ag(im)}(n)] (Him = imidazole) consists of a complex packing of polymeric chains folding 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.
Masciocchi, N., Moret, M., Cairati, P., Sironi, A., Ardizzoia, G., Lamonica, G. (1995). Powder route to crystal structures: X-ray powder diffraction determination of polymeric silver imidazolate. JOURNAL OF THE CHEMICAL SOCIETY DALTON TRANSACTIONS(10), 1671-1675 [10.1039/dt9950001671].
Powder route to crystal structures: X-ray powder diffraction determination of polymeric silver imidazolate
MORET, MASSIMO;
1995
Abstract
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) Angstrom>(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 data points (1262 reflections) measured at room temperature in the 17-105 degrees (2 theta) range. The crystal structure of [{Ag(im)}(n)] (Him = imidazole) consists of a complex packing of polymeric chains folding 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.
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