Kückmann Theresa, Lerner Hans-Wolfram, Bolte Michael
Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt/Main, Germany.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m966. doi: 10.1107/S1600536812027857. Epub 2012 Jun 23.
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.
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)。