Ab-initio XRPD structural characterization of coordination polymers: the case of [Ag(C3H3N2CS2)]
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| 024 | 7 | 0 | |a 10.1524/zkri.218.6.450.20726 |2 doi |
| 035 | |a (NATIONALLICENCE)gruyter-10.1524/zkri.218.6.450.20726 | ||
| 245 | 0 | 0 | |a Ab-initio XRPD structural characterization of coordination polymers: the case of [Ag(C3H3N2CS2)] |h [Elektronische Daten] |c [N. Masciocchi, S. Brenna, S. Galli, A. Maspero] |
| 520 | 3 | |a 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. | |
| 540 | |a © 2003 Oldenbourg Wissenschaftsverlag GmbH | ||
| 690 | 7 | |a Crystallography |2 nationallicence | |
| 690 | 7 | |a Inorganic chemistry |2 nationallicence | |
| 690 | 7 | |a Organic chemistry |2 nationallicence | |
| 700 | 1 | |a Masciocchi |D N. |4 aut | |
| 700 | 1 | |a Brenna |D S. |4 aut | |
| 700 | 1 | |a Galli |D S. |4 aut | |
| 700 | 1 | |a Maspero |D A. |4 aut | |
| 773 | 0 | |t Zeitschrift für Kristallographie - Crystalline Materials |d De Gruyter Oldenbourg |g 218/6(2003-06-01), 450-454 |x 2194-4946 |q 218:6<450 |1 2003 |2 218 |o zkri | |
| 856 | 4 | 0 | |u https://doi.org/10.1524/zkri.218.6.450.20726 |q text/html |z Onlinezugriff via DOI |
| 908 | |D 1 |a research article |2 jats | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1524/zkri.218.6.450.20726 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Masciocchi |D N. |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Brenna |D S. |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Galli |D S. |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Maspero |D A. |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Zeitschrift für Kristallographie - Crystalline Materials |d De Gruyter Oldenbourg |g 218/6(2003-06-01), 450-454 |x 2194-4946 |q 218:6<450 |1 2003 |2 218 |o zkri | ||
| 900 | 7 | |b CC0 |u http://creativecommons.org/publicdomain/zero/1.0 |2 nationallicence | |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-gruyter | ||