The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
DSR: enhanced modelling and refinement of disordered structures with SHELXL
Open accessAbstract
One of the remaining challenges in single-crystal structure refinement is the proper description of disorder in crystal structures. This paper describes a computer program that performs semi-automatic modelling of disordered moieties in SHELXL [Sheldrick (2015). Acta Cryst. C 71, 3–8.]. The new program contains a database that includes molecular fragments and their corresponding stereochemical restraints, and a placement procedure to place these fragments on the desired position in the unit cell. The program is also suitable for speeding up model building of well ordered crystal structures.
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Citations
Cites
Crystal structure refinement with SHELXL
Sheldrick, G. M. (2015) · Acta Crystallographica Section C Structural Chemistry · doi:10.1107/s2053229614024218 · Cited by 43,982
OLEX2 : a complete structure solution, refinement and analysis program
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., & Puschmann, H. (2009) · Journal of Applied Crystallography · doi:10.1107/s0021889808042726 · Cited by 32,811
Cited by
Reactive p-block cations stabilized by weakly coordinating anions
Engesser, T. A., Lichtenthaler, M. R., Schleep, M., & Krossing, I. (2016) · Chemical Society Reviews · doi:10.1039/c5cs00672d · Cited by 326
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Metadata
- Authors
- Kratzert, D., Holstein, J. J., & Krossing, I.
- Venue
- Journal of Applied Crystallography
- Published
- 2015-04-25
- Volume
- 48
- Issue
- 3
- Pages
- 933-938
- ISSN
- 0021-8898 (ISSN-L)
- 1600-5767
- OpenAlex
- W2126998786
- Cited by
- 232
- References
- 2
- FWCI
- 4.36
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Kratzert, D., Holstein, J. J., & Krossing, I. (2015). DSR: enhanced modelling and refinement of disordered structures with SHELXL. Journal of Applied Crystallography. https://doi.org/10.1107/s1600576715005580
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