caa a22 4500 378881779 CHVBK 20180305123433.0 cr unu---uuuuu 161128e20030601xx s 000 0 eng 10.1524/zkri.218.6.450.20726 doi (NATIONALLICENCE)gruyter-10.1524/zkri.218.6.450.20726 Ab-initio XRPD structural characterization of coordination polymers: the case of [Ag(C3H3N2CS2)] [Elektronische Daten] [N. Masciocchi, S. Brenna, S. Galli, A. Maspero] The crystal structure of the one-dimensional polymer [Ag(C3H3N2CS2)] has been determined from conventional X-ray powder diffraction methods, through simulated annealing and Rietveld refinement techniques [Ag(C3H3N2CS2)] is monoclinic, P21/c; a = 8.409(1), b = 11.740(1), c = 6.721(1) Å, β = 101.86(2)°, V = 649.3(2) Å3; Z = 4; ρ = 2.566 g cm-3 Final Rwp, Rp and RF agreement factors, for 3100 data points collected in the 8-70° 2θ range, are 0.091, 0.071 and 0.058, respectively Anisotropic peak shapes and high-angle tails for the 0k0 (and neighboring) reflections suggest that the polymeric chains, aligned along b, suffer from a partial disorder, in that packing of adjacent molecules does not conform to a rigorous crystalline, truly periodic, tiling. © 2003 Oldenbourg Wissenschaftsverlag GmbH Crystallography nationallicence Inorganic chemistry nationallicence Organic chemistry nationallicence Masciocchi N. aut Brenna S. aut Galli S. aut Maspero A. aut Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 218/6(2003-06-01), 450-454 2194-4946 218:6<450 2003 218 zkri https://doi.org/10.1524/zkri.218.6.450.20726 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zkri.218.6.450.20726 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Masciocchi N. aut NATIONALLICENCE 700 1- Brenna S. aut NATIONALLICENCE 700 1- Galli S. aut NATIONALLICENCE 700 1- Maspero A. aut NATIONALLICENCE 773 0- Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 218/6(2003-06-01), 450-454 2194-4946 218:6<450 2003 218 zkri CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter