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

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

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

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

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