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Figure 1
(a) The numbering scheme for bonds and (b) the numbering scheme for dihedral angles. (c), (e) Calculated variations in the bond lengths of an isolated A molecule in (c) the gas phase and (e) the crystal upon oxidation (black) and reduction (red). (d), (f) Calculated variations in the dihedral angles of an isolated A molecule in (d) the gas phase and (f) the crystal upon oxidation (black) and reduction (red).

IUCrJ
Volume 4| Part 5| September 2017| Pages 695-699
ISSN: 2052-2525
https://doi.org/10.1107/S2052252517010685