Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism

Authors
Peral, I Madariaga, G Petricek, V Breczewski, T
Citation
I. Peral et al., Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism, ACT CRYST B, 57, 2001, pp. 386-393
Citations number
15
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
ISSN journal
01087681 → ACNP
Volume
57
Year of publication
2001
Part
3
Pages
386 - 393
Database
ISI
SICI code
0108-7681(200106)57:<386:ASOTCC>2.0.ZU;2-S
Abstract
The average structure of the composite urea/octanedioic acid has been refin ed using the superspace formalism [superspace group H'3(1)21(00 gamma )00 ( 1) over bar]. Modulation effects seem to be almost negligible. The guest su bstructure appears to be largely disordered and has been modelled using rig id units occupying 12 equiprobable different orientations inside the urea t unnels. Guest molecules are slightly tilted with respect to the tunnel axis favouring a stronger guest-guest intratunnel interaction.