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Figure 1
(a) DIF model including DIN atoms only. (b) DIF model including DIN and included acid. This figure and all other figures shown here are on the same scale and show the same region of each unit cell on (100) defined by x = −0.10 to 0.14 and z = 0.0 to 1.0 (horizontal). For all figures, the lowest residual electron density contour is at 0.2 e Å−3 and the increments are 0.2 e Å−3. The residual electron density contours are from Fo-Fc Fouriers where Fc is for the appropriate refined model. Superimposed on each contour map is a projection, using SNOOPI (Davies, 1983BB2), of the included acid model. For clarity only one guest molecule (or pair of molecules in the case of DIF, DIA and DIT) is shown. The full contents of the cavity require the operation of the threefold axis.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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