Structure of manganese diacetate tetrahydrate and low-temperature methyl-group dynamics

Nicolaï, B.; Kearley, G.J.; Cousson, A.; Paulus, W.; Fillaux, F.; Gentner, F.; Schröder, L.; Watkin, D.

doi:10.1107/S0108768100014695

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 6
Calculated isocontour maps of proton densities at 300 K. (a) Methyl group C2: V₃ = 0 meV, u_r² = u_x² = 0.05 Å²; (b) methyl group C4: V₃ = 49 meV, u_r² = 0.05 Å²; (c) methyl group C6: V₃ = 0 meV, u_r² = 0.05 Å², u_x² = u_y² = 0.20 Å².

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 57| Part 1| February 2001| Pages 36-44

doi:10.1107/S0108768100014695

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