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二氯-1κCl,3κCl-六-双-[1,1,2,2,3,3(η⁵)-环戊二烯基]二-μ₂-氧代-1:2κ²O:O;2:3κ²O:O-三锆(IV)

Dichlorido-1κCl,3κCl-hexa-kis-[1,1,2,2,3,3(η⁵)-cyclo-penta-dien-yl]di-μ₂-oxido-1:2κ²O:O;2:3κ²O:O-trizirconium(IV).

作者信息

Kraft Bradley M, Brennessel William W

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m893. doi: 10.1107/S1600536812024968. Epub 2012 Jun 13.

DOI:10.1107/S1600536812024968
PMID:22807735
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393167/
Abstract

The title compound, [Zr₃(C₅H₅)₆Cl₂O₂], exists as discrete mol-ecules possessing a series of three Cp(2)Zr units (Cp is cyclo-penta-dien-yl) bridged by oxide ligands and end-capped by chloride ligands. The Cp planes in the central and terminal zirconocene units form dihedral angles of 53.3 (2) and 53.5 (2)°, respectively. The two Zr-O-Zr bridge angles are nearly linear and form a planar Zr₃O₂ core. The mol-ecule bears C2 symmetry with the central Zr atom lying on a crystallographic twofold axis.

摘要

标题化合物[Zr₃(C₅H₅)₆Cl₂O₂]以离散分子形式存在，具有一系列由氧化物配体桥连并由氯配体封端的三个Cp(2)Zr单元（Cp为环戊二烯基）。中心和末端二茂锆单元中的Cp平面分别形成53.3 (2)°和53.5 (2)°的二面角。两个Zr-O-Zr桥角接近线性，形成一个平面Zr₃O₂核心。该分子具有C2对称性，中心Zr原子位于一个晶体学二重轴上。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61d5/3393167/a7c65d0232a4/e-68-0m893-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61d5/3393167/a7c65d0232a4/e-68-0m893-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61d5/3393167/a7c65d0232a4/e-68-0m893-fig1.jpg

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本文引用的文献

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A short history of SHELX.
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