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![[Figure 2]](fa3318fig2mag.jpg)
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Figure 2
Illustration of the analytical procedure involving the MEM-assisted structure refinement. (Top) The difference MEM charge densities with the structural model are shown as a mesh (red in the electronic version of the paper). The fitting results of the Rietveld refinement are also shown. (Middle) In order to allow small deformations of the molecule during the rigid-body refinement, additional rotation axes were introduced to express the slight deformations while keeping reasonable interatomic distances. (Bottom) The difference MEM charge densities with a revised model are shown as a mesh (red). The fitting results of the Rietveld refinement are shown. |
![[Figure 2]](fa3318fig2.jpg)
 | STRUCTURAL CHEMISTRY |
ISSN: 2053-2296
