In the absence of single crystals, silver(I) 3,5-dimethylpyrazolate, [Ag(dmpz)]3, has been structurally characterized by ab initio X-ray powder diffraction, using conventional laboratory data. Its crystals are triclinic, P1, with a=8.0876(10), b=11.1204(13), c=11.6136(16) Å, α =68.293(6), β=78.350(7), and γ=81.243(6)°. The structure has been solved by Patterson, difference Fourier, and geometrical modeling, and ultimately refined by the Rietveld method down to Rp=0.068, Rwp=0.085, and RF=0.055, for 4300 observations in the 17<2θ<103° range. Each molecule consists of a cyclic, trimeric assembly of Ag(dmpz) fragments, with the dmpz ligand bridging, in the exo-bidentate mode, nonbonded Ag⋯Ag edges. © 1998 International Centre for Diffraction Data.
Crystal structure determination of molecular compounds from conventional powder diffraction data: Trimeric silver(I) 3,5-dimethylpyrazolate / N. Masciocchi, P. Cairati, A. Sironi. - In: POWDER DIFFRACTION. - ISSN 0885-7156. - 13:1(1998), pp. 35-40.
Titolo: | Crystal structure determination of molecular compounds from conventional powder diffraction data: Trimeric silver(I) 3,5-dimethylpyrazolate | |
Autori: | SIRONI, ANGELO AGOSTINO DANIELE (Ultimo) | |
Parole Chiave: | Ab initio structure determination from powder data; Silver(I) 3,5-dimethylpyrazolate | |
Settore Scientifico Disciplinare: | Settore CHIM/03 - Chimica Generale e Inorganica | |
Data di pubblicazione: | 1998 | |
Rivista: | ||
Tipologia: | Article (author) | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1017/S0885715600009738 | |
Appare nelle tipologie: | 01 - Articolo su periodico |