Flack, Howard D. (2013) Absolute-structure reports. Acta Crystallographica Section C Crystal Structure Communications, 69 (8) 803-807 doi:10.1107/s0108270113014789
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Absolute-structure reports | ||
| Journal | Acta Crystallographica Section C Crystal Structure Communications | ||
| Authors | Flack, Howard D. | Author | |
| Year | 2013 (August 15) | Volume | 69 |
| Issue | 8 | ||
| Publisher | International Union of Crystallography (IUCr) | ||
| DOI | doi:10.1107/s0108270113014789Search in ResearchGate | ||
| Generate Citation Formats | |||
| Mindat Ref. ID | 191004 | Long-form Identifier | mindat:1:5:191004:3 |
| GUID | 0 | ||
| Full Reference | Flack, Howard D. (2013) Absolute-structure reports. Acta Crystallographica Section C Crystal Structure Communications, 69 (8) 803-807 doi:10.1107/s0108270113014789 | ||
| Plain Text | Flack, Howard D. (2013) Absolute-structure reports. Acta Crystallographica Section C Crystal Structure Communications, 69 (8) 803-807 doi:10.1107/s0108270113014789 | ||
| In | (2013, August) Acta Crystallographica Section C Crystal Structure Communications Vol. 69 (8) International Union of Crystallography (IUCr) | ||
| Abstract/Notes | All the 139 noncentrosymmetric crystal structures published inActa Crystallographica Section Cbetween January 2011 and November 2012 inclusive have been used as the basis of a detailed study of the reporting of absolute structure. These structure determinations cover a wide range of space groups, chemical composition and resonant-scattering contribution. DefiningAandDas the average and difference of the intensities of Friedel opposites, their level of fit has been examined using 2ADand selected-Dplots. It was found, regardless of the expected resonant-scattering contribution to Friedel opposites, that the Friedel-difference intensities are often dominated by random uncertainty and systematic error. An analysis of data collection strategy is provided. It is found that crystal-structure determinations resulting in a Flack parameter close to 0.5 may not necessarily be from crystals twinned by inversion. Friedifstatis shown to be a robust estimator of the resonant-scattering contribution to Friedel opposites, very little affected by the particular space group of a structure nor by the occupation of special positions. There is considerable confusion in the text of papers presenting achiral noncentrosymmetric crystal structures. Recommendations are provided for the optimal way of treating noncentrosymmetric crystal structures for which the experimenter has no interest in determining the absolute structure.<!?tpb=25.7pt> | ||
See Also
These are possibly similar items as determined by title/reference text matching only.
