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Figure 2
(a) Structure of KADKIJ, illustrating that computation requires an entire molecule and SG change from P1 to P1 to generate a valid cluster of complete molecules, unlike in (b), a cluster consisting of half molecules. The centre of inversion is highlighted.

IUCrJ
Volume 11| Part 3| May 2024| Pages 347-358
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524002641