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Figure 7
(a, b) Schematic herringbone-like arrangements showing the translational and orientational disorder of the n-alkane molecules inside the parallel channels built by the urea host hexagonal sublattice. Hexagonal (h) and orthorhombic (o) lattice parameters used to describe the structures in different phases are shown. (c) Phase diagram (P, T) of the fully deuterated n-nonadecane/urea inclusion compound [adapted from Toudic et al. (2011BB148)]. (d) x–zh plot of the refined modulation function (solid line) together with the positions of the N (circles) atoms in two opposite tunnel walls perpendicular to the octane molecular plane. The dashed lines are the sinusoidal modulation functions fitted to the N positions. Adapted from the work of Peral et al. (2001BB100).

IUCrJ
Volume 2| Part 1| January 2015| Pages 137-154
ISSN: 2052-2525
doi:10.1107/S2052252514023550