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

Title data

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. Vol. 57 (2001) Issue 5 . - pp. 673-679.
ISSN 2052-5206
DOI: https://doi.org/10.1107/S010876810101237X

Official URL:

Abstract in another language

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°.

Further data

Item Type:	Article in a journal
Refereed:	Yes
Keywords:	Disorder; X-ray powder diffraction; polymers
Institutions of the University:	Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography > Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen Faculties Faculties > Faculty of Mathematics, Physics und Computer Science Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Result of work at the UBT:	Yes
DDC Subjects:	500 Science > 530 Physics
Date Deposited:	22 Mar 2016 07:50
Last Modified:	17 Apr 2018 09:37
URI:	https://eref.uni-bayreuth.de/id/eprint/31960