Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure

Milašinović, V.; Molčanov, K.; Krawczuk, A.; Bogdanov, N.E.; Zakharov, B.A.; Boldyreva, E.V.; Jelsch, C.; Kojić-Prodić, B.

doi:10.1107/S2052252521005273

Figure 3
Disagreement factors of VT datasets as a function of temperature, for spherical (dark colour) and TAAM refinements (light colour). R(F) values are shown in blue (dark: spherical, light: multipolar), wR(F²) in red (dark: spherical, light: multipolar). Difference R(F)_spheric − R(F)_TAAM is shown in black and wR(F²)_spheric − wR(F²)_TAAM in grey.

IUCrJ

Volume 8| Part 4| July 2021| Pages 644-654

ISSN: 2052-2525

https://doi.org/10.1107/S2052252521005273

CHEMISTRY | CRYSTENG

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