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Figure 3
Peanut plots (Hummel et al., 1990BB8) of (Ia) at 110 K and (Ib) at 250 K, showing the difference between the measured displacement parameters and the TLS model from the program THMA11 (Schomaker & Trueblood, 1998BB19). A scale factor of 3.08 was used for the root-mean-square surfaces. Darker lines (blue in the electronic version of the paper) indicate positive differences and lighter lines (red in the electronic version) negative differences.

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CHEMISTRY
ISSN: 2053-2296
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