From atoms to a data bank: optimizing transferability of electron-density symmetry

Rybicka, P.M.; Kulik, M.; Ignat'ev, V.; Dominiak, P.M.

doi:10.1107/S2053273326004651

Acta Crystallographica Section A
Acta Crystallographica
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Figure 7
(a) Pseudosymmetry of electron density assigned for all 3n-N and 3p-N atoms versus their `planarity e.s.d.' parameter (ref-NSC); (b) division of nitrogen atoms into 3n-N and 3p-N subgroups and a comparison of pseudosymmetry of electron density assigned for them with group planarity thresholds 0.1 Å and 0.038 Å (ref-SC and ref-NSC).

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ISSN: 2053-2733

Volume 82| Part 4| July 2026|

https://doi.org/10.1107/S2053273326004651

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