Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction

C Tedesco; R E Dinnebier; F Olbrich; S van Smaalen

doi:10.1107/s010876810101237x

Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction

Acta Crystallogr B. 2001 Oct;57(Pt 5):673-9. doi: 10.1107/s010876810101237x. Epub 2001 Sep 29.

Authors

C Tedesco¹, R E Dinnebier, F Olbrich, S van Smaalen

Affiliation

¹ Dipartimento di Chimica, Università di Salerno, via S. Allende, I-84081 Baronissi, Italy.

PMID: 11574723
DOI: 10.1107/s010876810101237x

Abstract

The crystal structure of pentamethylcyclopentadienylsodium, [NaC10H15] (NaCp*), has been determined from high-resolution X-ray powder diffraction. The compound crystallizes in space group Cmcm with lattice parameters a = 4.61030 (3), b = 16.4621 (3), c = 14.6751 (2) A, V = 1113.77 (4) A(3) (Z = 4). NaCp* forms polymeric multidecker chains along the a axis. The Rietveld refinement (R(p) = 0.050 and R(F) = 0.163) shows that the Cp* moieties occupy, with disorder, two different orientations rotated away from the eclipsed conformation by +/-13.8 degrees.