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Disorder in pentachloronitrobenzene, C 6 Cl 5 NO 2 : a diffuse scattering study

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Date

2007

Authors

Thomas, Lynne
Welberry, Thomas
Goossens, Darren
Heerdegen, Aidan
Gutmann, M J
Teat, Simon J
Lee, Peter L.
Wilson, Chick C
Cole, Jacqueline M

Journal Title

Journal ISSN

Volume Title

Publisher

Munksgaard International Publishers

Abstract

Monte Carlo computer simulation has been used to interpret and model observed single-crystal diffuse X-ray scattering data for pentachloronitrobenzene, C6Cl5NO2. Each site in the crystal contains a molecule in one of six different basic orientations with

Description

Keywords

Keywords: Computer simulation; Diffusion; Molecular orientation; Relaxation processes; Single crystals; X ray scattering; Diffuse scattering study; Monte Carlo computer simulation; Relaxation displacements; Monte Carlo methods Diffuse scattering study; Disorder; Monte Carlo computer simulation; Relaxation displacements

Citation

URI

http://hdl.handle.net/1885/21909

Collections

ANU Research Publications

Source

Acta Crystallographica Section B: Structural Science

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1107/S0108768107024305

Restricted until

2037-12-31

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01_Thomas_Disorder_in_2007.pdf (1.09 MB)

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