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Helium cryostat synchrotron charge densities determined using a large CCD detector -- upgraded beamline D3 at DESY.

Authors :
Morgenroth, Wolfgang
Overgaard, Jacob
Clausen, Henrik F.
Svendsen, Helle
Jørgensen, Mads R. V.
Larsen, Finn K.
Iversen, Bo B.
Source :
Journal of Applied Crystallography; Oct2008, Vol. 41 Issue 5, p846-853, 8p, 1 Black and White Photograph, 4 Diagrams, 2 Charts, 2 Graphs
Publication Year :
2008

Abstract

A 165 mm Mar CCD detector has been fitted on a large Huber four-circle diffractometer together with a helium cryostat at beamline D3 at Hasylab, DESY in Hamburg. This setup allows fast collection of accurate, shortwavelength, very low temperature X-ray diffraction data for charge-density analysis. As a test example, diffraction data have been collected in 10 h on a hydrogen-bonded network system with 15 unique atoms, and the electron density was modelled with the multipole formalism in an X-N procedure using matching-temperature neutron diffraction data collected at Institut Laue Langevin, Grenoble in France. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00218898
Volume :
41
Issue :
5
Database :
Complementary Index
Journal :
Journal of Applied Crystallography
Publication Type :
Academic Journal
Accession number :
35133145
Full Text :
https://doi.org/10.1107/S0021889808024643