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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.

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Volume 215, Issue 1

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Crystal structure of new Ni(II) complex with non-symmetrical bis-enaminone from powder diffraction data

W. Lasocha / E. Opozda / H. Schenk
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zkri.2000.215.1.34

The crystal structure of C22H32BrN2NiO2 was ab initio solved from conventional X-ray powder data by combination of few powder diffraction techniques. After the intensity estimating procedure based on texture method, the orientation and approximate position of the molecule was found by the Patterson methods. Next, Patterson and direct method search program PATSEE was used to locate the molecule more precisely. Missing atoms of flexible groups and final refinement was performed by Rietveld method. The structure consists of flat molecules connected by van der Waals forces. The compound crystallises in the monoclinic space group P21/c (No. 14) with a=10.362(3) Å, b=18.468(3) Å, c=12.066(3) Å, β = 124.53(1)°, Z=4, and contains 28 atoms in asymmetric unit.

About the article

Published Online: 2009-09-25

Published in Print: 2000-01-01


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 215, Issue 1, Pages 34–38, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.2000.215.1.34.

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