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Figure 4
Neglecting satellite reflections and solving the structure in the basic cell corresponds to averaging the contents of the eight unit cells shown in either of the top rows of Fig. 2[link](a) by shifting the molecules parallel to a into one cell (H atoms omitted for clarity; the molecules from Fig. 2[link] have been moved towards each other already). Consequently, the resulting average structure is characterized by large displacement ellipsoids and, in the case of a strong modulation, also by unrealistic geometric parameters.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 65| Part 3| May 2009| Pages 249-268
doi:10.1107/S0108768109015614
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