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Figure 3
Atomic displacement ellipsoid plot for refinement with ReCrystal/0.8 Å (top), NoSphereA2 [ORCA (version 5.0.3); bottom] with the basis set def2-TZVP and functional PBE; ellipsoid representation at the 50% probability level (hydrogen – white, carbon – grey, nitro­gen – blue, oxygen – red).

IUCrJ
Volume 12| Part 3| May 2025| Pages 322-333
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525002040