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四氟硼酸（乙腈-κN）二羰基（η(5)-环戊二烯基）铁（II）的重新测定

Redetermination of (acetonitrile-κN)dicarbon-yl(η(5)-cyclo-penta-dien-yl)iron(II) tetra-fluoridoborate.

作者信息

Kückmann Theresa, Lerner Hans-Wolfram, Bolte Michael

机构信息

Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt/Main, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m966. doi: 10.1107/S1600536812027857. Epub 2012 Jun 23.

DOI:10.1107/S1600536812027857
PMID:22807785
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393217/
Abstract

The crystal structure of the title compound, [Fe(C(5)H(5))(CH(3)CN)(CO)(2)]BF(4), of which only the coordinates of the non-H atoms of the cation have previously been reported [Fadel et al. (1979 ▶). Z. Anorg. Allg. Chem.453, 98-106] has been redetermined. The Fe(II) atom in the complex cation is coordinated by a cyclo-penta-dienyl ring, two carbonyl ligands and an acetonitrile mol-ecule displaying a three-legged piano stool structure. Three of the four F atoms of the BF(4) (-) anion are disordered over two sets of sites, with a site-occupancy factor of 0.709 (10) for the major occupied site.

摘要

标题化合物[Fe(C₅H₅)(CH₃CN)(CO)₂]BF₄的晶体结构已重新测定，此前仅报道了阳离子中非H原子的坐标[法德尔等人，(1979年▶)。《无机及普通化学杂志》453, 98 - 106]。配合物阳离子中的Fe(II)原子由一个环戊二烯基环、两个羰基配体和一个乙腈分子配位，呈现出三脚钢琴凳结构。BF₄⁻阴离子的四个F原子中有三个在两组位置上无序分布，主要占据位置的占有率为0.709(10)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a295/3393217/047cf79c3829/e-68-0m966-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a295/3393217/38c9c95d01fc/e-68-0m966-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a295/3393217/047cf79c3829/e-68-0m966-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a295/3393217/38c9c95d01fc/e-68-0m966-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a295/3393217/047cf79c3829/e-68-0m966-fig2.jpg

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