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氯代（η-环戊二烯基）[（4a,4b,8a,9,9a-η）-芴基]（芴基-κC）锆（IV）甲苯溶剂合物

Chlorido(η-cyclo-penta-dien-yl)[(4a,4b,8a,9,9a-η)-fluoren-yl](fluorenyl-κC)zirconium(IV) toluene solvate.

作者信息

Lapczuk-Krygier Agnieszka, Ponikiewski Lukasz, Pikies Jerzy

机构信息

Chemical Faculty, Gdansk University of Technology, Narutowicza 11/12, Gdansk PL-80233, Poland.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 8;67(Pt 1):m54. doi: 10.1107/S1600536810050816.

DOI:10.1107/S1600536810050816
PMID:21522572
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3050299/
Abstract

In the title compound, [Zr(C(5)H(5))(C(13)H(9))(2)Cl]·C(7)H(8), the Zr(IV) atom is coordinated by a Cl atom, a cyclo-penta-dienyl (Cp) ligand [Zr-centroid (Cp) = 2.199 (3) Å] and two fluorenyl ligands (Fl) [Zr-centroid (Fl) = 2.273 (2) Å and Zr-CH from fluorenyl = 2.355 (2) Å] in a distorted tetra-gonal geometry. The dihedral angles between the mean planes of the fluorenyl ring systems and the Cp ring are 36.62 (6)° for the η(1)-coordinated fluorenyl and 52.85 (6)° for the η(5)-coordinated fluorenyl, while the dihedral angle between the mean planes of the two fluorenyl ring systems is 76.18 (7)°.

摘要

在标题化合物[Zr(C₅H₅)(C₁₃H₉)₂Cl]·C₇H₈中，Zr(IV)原子由一个Cl原子、一个环戊二烯基（Cp）配体[Zr-质心（Cp） = 2.199(3) Å]和两个芴基配体（Fl）[Zr-质心（Fl） = 2.273(2) Å以及芴基的Zr-CH = 2.355(2) Å]以扭曲的四方几何构型配位。对于η¹配位的芴基，芴基环系平均平面与Cp环之间的二面角为36.62(6)°，对于η⁵配位的芴基，该二面角为52.85(6)°，而两个芴基环系平均平面之间的二面角为76.18(7)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2859/3050299/90795027c8e2/e-67-00m54-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2859/3050299/90795027c8e2/e-67-00m54-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2859/3050299/90795027c8e2/e-67-00m54-fig1.jpg

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