Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments

Kamiński, R.; Domagała, S.; Jarzembska, K.N.; Hoser, A.A.; Sanjuan-Szklarz, W.F.; Gutmann, M.J.; Makal, A.; Malińska, M.; Bąk, J.M.; Wozńiak, K.

doi:10.1107/S2053273313028313

Acta Crystallographica Section A
Acta Crystallographica
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Figure 3
Two-dimensional maps of (a) mean residual density distribution ( $[\varrho _{{\rm res}}^{\min\!/\!\max}]$ = −0.10/+0.06 e Å⁻³) and (b) computed residual density standard deviation ( $[s_{\varrho _{{\rm res}}}^{\max}]$ = 0.07 e Å⁻³) [C1—O2—C1_{(1−x, 1−y, 1−z)} plane; contours at 0.05 e Å⁻³, blue lines – positive values, red – negative].

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ISSN: 2053-2733

Volume 70| Part 1| December 2014| Pages 72-91

doi:10.1107/S2053273313028313

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