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.
引用
收藏
页码：35 / 44
页数：10
相关论文
共 50 条
[31]   Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data [J].
van Langevelde, A ;
Peschar, R ;
Schenk, H .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2001, 57 (03) :372-377
[32]   Crystal structure of melaminium orthophosphate from high-resolution synchrotron powder-diffraction data [J].
De Ridder, DJA ;
Goubitz, K ;
Brodski, V ;
Peschar, R ;
Schenk, H .
HELVETICA CHIMICA ACTA, 2004, 87 (07) :1894-1905
[33]   REFINEMENT OF THE STRUCTURE OF TA2D BY HIGH-RESOLUTION POWDER NEUTRON-DIFFRACTION [J].
MURATA, H ;
ASANO, H ;
IZUMI, F ;
TOMIYOSHI, S ;
IWASA, H ;
SATO, S ;
WATANABE, N .
TRANSACTIONS OF THE JAPAN INSTITUTE OF METALS, 1985, 26 (11) :795-798
[34]   Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction [J].
Tedesco, C ;
Dinnebier, RE ;
Olbrich, F ;
van Smaalen, S .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2001, 57 (05) :673-679
[35]   THE CRYSTAL-STRUCTURE OF CBRF3 BY HIGH-RESOLUTION POWDER NEUTRON-DIFFRACTION [J].
JOUANNEAUX, A ;
FITCH, AN ;
COCKCROFT, JK .
MOLECULAR PHYSICS, 1992, 77 (01) :45-50
[36]   HIGH-RESOLUTION NEUTRON POWDER DIFFRACTION - A CASE-STUDY OF THE STRUCTURE OF C-60 [J].
DAVID, WIF ;
IBBERSON, RM ;
MATSUO, T .
PROCEEDINGS OF THE ROYAL SOCIETY-MATHEMATICAL AND PHYSICAL SCIENCES, 1993, 442 (1914) :129-146
[37]   STRAIN DISTRIBUTION IN INP/INGAAS SUPERLATTICE STRUCTURE DETERMINED BY HIGH-RESOLUTION X-RAY-DIFFRACTION [J].
KROST, A ;
BOHRER, J ;
ROEHLE, H ;
BAUER, G .
APPLIED PHYSICS LETTERS, 1994, 64 (04) :469-471
[38]   Accuracy of molecular structures determined from high-resolution powder diffraction.: The example of m-fluorobenzoic acid [J].
Pattison, P ;
Knudsen, KD ;
Fitch, AN .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2000, 33 :82-86
[39]   Correcting the axial divergence from high-resolution powder diffraction data [J].
Dejoie, C. ;
Fitch, A. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2024, 80
[40]   HIGH-RESOLUTION NEUTRON POWDER DIFFRACTION STUDY OF ICE-IC [J].
KUHS, WF ;
BLISS, DV ;
FINNEY, JL .
JOURNAL DE PHYSIQUE, 1987, 48 (C-1) :631-636
12345