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Figure 8
(a) The structure of ATOMAY as recovered from the CSD. Note the unusual out-of-plane geometry of the H atoms of the OH substituents. These out-of-plane H atoms do not form hydrogen bonds with neighbouring ions. (b) The structure of ATOMAY edited so as to place H atoms in-plane and in geometries that maximize hydrogen bonding.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
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