On the temperature dependence of H-Uiso in the riding hydrogen model

Lübben, J.; Volkmann, C.; Grabowsky, S.; Edwards, A.; Morgenroth, W.; Fabbiani, F.P.A.; Sheldrick, G.M.; Dittrich, B.

doi:10.1107/S2053273314010626

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Figure 3
Temperature dependence of the U_iso/U_eq ratio from the X-ray data of N-acetyl-L-hydroxyproline monohydrate. (a) Invariom refinement with constrained hydrogen positions and refined U_iso. (b) Hirshfeld-atom refinement with freely refined hydrogen positions/U_iso, both using the same X-ray diffraction data.

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ISSN: 2053-2733

Volume 70| Part 4| May 2014| Pages 309-316

doi:10.1107/S2053273314010626

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