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

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Tedesco, Consiglia ; Dinnebier, Robert E. ; Olbrich, Falk ; van Smaalen, Sander:
Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction.
In: Acta Crystallographica Section B. Bd. 57 (2001) Heft 5 . - S. 673-679.
ISSN 2052-5206
DOI: https://doi.org/10.1107/S010876810101237X

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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) Å, V = 1113.77 (4) Å3 (Z = 4). NaCp* forms polymeric multidecker chains along the a axis. The Rietveld refinement (Rp = 0.050 and RF = 0.163) shows that the Cp* moieties occupy, with disorder, two different orientations rotated away from the eclipsed conformation by ±13.8°.