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Figure 12
Optimized geometries and binding energies (kJ mol−1) for 1:1 PHEN–solvent complexes, calculated at the M062X/6-311G (d,p) level. Carbon – grey, hydrogen – white, oxygen – red, nitro­gen – blue, sulfur – yellow, chlorine – green.

IUCrJ
Volume 8| Part 3| May 2021| Pages 468-479
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521003882