Comparison of different absorption corrections on the model structure of tetrakis(μ2-acetato)-diaqua-di-copper(II)

Julia Koziskova; Friedemann Hahn; Jens Richter; Jozef Kožíšek

doi:10.1515/acs-2016-0023

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Comparison of different absorption corrections on the model structure of tetrakis(μ2-acetato)-diaqua-di-copper(II)

Acta Chimica Slovaca

Volume 9 (2016): Issue 2 (October 2016)

By: Julia Koziskova, Friedemann Hahn, Jens Richter and Jozef Kožíšek

Open Access

|Dec 2016

Abstract

Two different absorption correction methods were compared in order to find out which method is preferable to improve solving and refining a crystal structure. Experiments were performed on the crystal of a tetrakis(μ₂-acetato)-diaqua-di-copper(II) complex. The first correction method used was the numerical absorption correction with the aid of a crystal-shape model, and the other was the semi-empirical one, applying scaling routines to the intensity data.

References

Bergerhoff G, Berndt M, Brandenburg (1996) J. Res. Natl Inst. Stand. Technol. 101: 221.
Search in Google Scholar Back to article
Bertolotti F, Forni A, Gervasio G, Marabello D, Diana E (2012) Polyhedron 42: 118.10.1016/j.poly.2012.05.005
Search in Google Scholar Back to article
Blessing RH (1995) Acta Cryst. A51: 33
Search in Google Scholar Back to article
Dolomanov OV, Bourhis LJ, Gildea RJ, Howard JAK, Puschmann H (2009) J. Appl. Cryst. 42: 339.10.1107/S0021889808042726
Search in Google Scholar Back to article
Farrugia LJ (2012) J. Appl. Cryst. 45: 849.10.1107/S0021889812029111
Search in Google Scholar Back to article
Fronczek FR (2003) Private CSD Communication.
Search in Google Scholar Back to article
Golzar Hossain GM (2007) Private CSD Communication.
Search in Google Scholar Back to article
Mahmoudkhani AH, Langer V (1998) Private CSD Communication.
Search in Google Scholar Back to article
Nieger M (2001) Private CSD Communication.
Search in Google Scholar Back to article
Palatinus L, Chapuis G (2007) J. Appl. Cryst. 40: 786.10.1107/S0021889807029238
Search in Google Scholar Back to article
Shamuratov EB, Batsanov AS, Sharipov KhT, Struchkov YuT, Azizov T (1994) Koord. Khim. (Russ.) (Coord. Chem.) 20: 754.
Search in Google Scholar Back to article
Sheldrick GM (2015) Acta Cryst. C71: 3.10.1107/S2053229614024218429432325567568
Search in Google Scholar Back to article
STOE & Cie GmbH (2016). X-Area 1.76, software package for collecting single-crystal data on STOE area-detector diffractometers, for image processing, scaling reflection intensities and for outlier rejection; Darmstadt, Germany.
Search in Google Scholar Back to article
STOE & Cie GmbH (2013). X-View 2.1.7, program for monitoring and centering a sample on a STOE X-ray diffractometer in combination with a magnifying video camera, and for graphics-supported determination of a crystal-shape model; Darmstadt, Germany.
Search in Google Scholar Back to article
Vaughan GBM, Schmidt S, Poulsen HF (2004) Z. Kristallogr. 219: 813.
Search in Google Scholar Back to article

Articles in this issue

DOI: https://doi.org/10.1515/acs-2016-0023 | Journal eISSN: 1339-3065 | Journal ISSN: 1337-978X

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Language: English

Page range: 136 - 140

Published on: Dec 8, 2016

Published by: Slovak University of Technology in Bratislava

In partnership with: Paradigm Publishing Services

Publication frequency: 1 issue per year

Keywords:

Absorption correction,

Related subjects:

© 2016 Julia Koziskova, Friedemann Hahn, Jens Richter, Jozef Kožíšek, published by Slovak University of Technology in Bratislava
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Volume 9 (2016): Issue 2 (October 2016)