Disorder determined by high-resolution powder diffraction: structure of pentamethylcyclopentadienyllithium

被引：44
作者：
Dinnebier, RE
Schneider, M
van Smaalen, S
Olbrich, F
Behrens, U
机构：
[1] Univ Bayreuth, Lehrstuhl Kristallog, D-95440 Bayreuth, Germany
[2] Univ Magdeburg, Inst Chem, D-39106 Magdeburg, Germany
[3] Univ Hamburg, Inst Anorgan & Angew Chem, D-20146 Hamburg, Germany
来源：
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1999年 / 55卷
关键词：
D O I：
10.1107/S0108768198007009
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The crystal structure of pentamethylcyclopentadienyllithium, [Li(C10H15)] (LiCp*), has been determined from a high-resolution powder pattern by modelling and the maximum entropy method (MEM). The compound crystallizes in space group R3m with lattice parameters a = b = 14.7711 (5), c = 3.82206 (6) Angstrom and V = 722.19 (4) Angstrom(3) (Z = 3). LiCp* forms polymeric 'multidecker' chains along the c axis. The pentamethylcyclopentadienyl anions are coplanar with each other and show threefold rotational disorder. The MEM calculations did not only confirm the structural model and the type of disorder, but also discovered additional symmetry compared with the Rietveld analysis. This is the first solid-state structure of a Lewis-base-free alkali metal Cp* compound.
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页码：35 / 44
页数：10
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