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五羰基-2κC-氯代-1κCl-双-[1(η)-环戊二烯基](μ-1-氧化乙烯-1:2κO:C)铬(0)锆(IV)

Penta-carbonyl-2κC-chlorido-1κCl-bis-[1(η)-cyclo-penta-dien-yl](μ-1-oxido-ethyl-ene-1:2κO:C)chromium(0)zirconium(IV).

作者信息

Esterhuysen Catharine, Retief Lizette, Kruger Gert J, Cronje Stephanie, Raubenheimer Helgard G

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):m125. doi: 10.1107/S1600536808042621.

DOI:10.1107/S1600536808042621
PMID:21581744
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968157/
Abstract

The title compound, [CrZr(C(5)H(5))(2)(C(2)H(3)O)Cl(CO)(5)], consists of two metal centres, with a (penta-carbonyl-chromium)oxymethyl-carbene group coordinating as a monodentate ligand to the zirconocene chloride. π-Delocalization through the Zr-O-C=Cr unit is indicated by a short Zr-O distance [2.041 (3) Å] and a nearly linear Zr-O-C angle [170.5 (3)°]. Mol-ecules are aligned with their mol-ecular planes (through Zr, Cl, carbene and Cr) parallel to the ab plane. C-H⋯Cl inter-actions result in zigzag chains of mol-ecules propagating parallel to the b axis.

摘要

标题化合物[CrZr(C₅H₅)₂(C₂H₃O)Cl(CO)₅]由两个金属中心组成，其中一个(五羰基铬)氧甲基卡宾基团作为单齿配体与二氯二茂锆配位。通过Zr - O - C = Cr单元的π离域作用表现为较短的Zr - O距离[2.041(3) Å]和接近线性的Zr - O - C角[170.5(3)°]。分子的分子平面（通过Zr、Cl、卡宾和Cr）与ab平面平行排列。C - H⋯Cl相互作用导致分子形成之字形链，沿b轴平行方向延伸。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcba/2968157/ab00e1089401/e-65-0m125-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcba/2968157/fc714a442bdb/e-65-0m125-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcba/2968157/ab00e1089401/e-65-0m125-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcba/2968157/fc714a442bdb/e-65-0m125-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcba/2968157/ab00e1089401/e-65-0m125-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 9;64(Pt 9):m1150. doi: 10.1107/S1600536808025245.
2
Penta-carbonyl-2κC-chlorido-1κCl-bis-[1(η)-cyclo-penta-dien-yl][μ(2)-oxido(meth-yl)methyl-ene-1:2κO:C]tungsten(0)zirconium(IV).五羰基-2κC-氯代-1κCl-双-[1(η)-环戊二烯基][μ(2)-氧化(甲基)亚甲基-1:2κO:C]钨(0)锆(IV)
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 6;64(Pt 10):m1252. doi: 10.1107/S1600536808028006.
3
A short history of SHELX.
SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.