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[(1,2,3,4,11,12-η)-蒽]三(三甲基锡基)钴(III)的晶体结构

Crystal structure of [(1,2,3,4,11,12-η)-anthracene]tris-(tri-methyl-stann-yl)cobalt(III).

作者信息

Brennessel William W, Ellis John E

机构信息

Department of Chemistry, 120 Trustee Road, University of Rochester, Rochester, NY 14627, USA.

Department of Chemistry, 207 Pleasant Street SE, University of Minnesota, Minneapolis, MN 55455, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 8;70(Pt 11):312-5. doi: 10.1107/S1600536814021709. eCollection 2014 Nov 1.

Abstract

The asymmetric unit of the title structure, [Co(η(6)-C14H10){Sn(CH3)3}3], contains two independent mol-ecules. Each anthracene ligand is η(6)-coordinating to a Co(III) cation and is nearly planar [fold angles of 5.4 (3) and 9.7 (3)°], as would be expected for its behaving almost entirely as a donor to a high-oxidation-state metal center. The slight fold in each anthracene ligand gives rise to slightly longer Co-C bond lengths to the ring junction carbon atoms than to the other four. Each Co(III) cation is further coordinated by three Sn(CH3)3 ligands, giving each mol-ecule a three-legged piano-stool geometry. In each of the two independent mol-ecules, the trio of SnMe3 ligands are modeled as disordered over two positions, rotated by approximately 30%, such that the C atoms nearly overlap. In one mol-ecule, the disorder ratio refined to 0.9365 (8):0.0635 (8), while that for the other refined to 0.9686 (8):0.0314 (8). The mol-ecules are well separated, and thus no significant inter-molecular inter-actions are observed. The compound is of inter-est as the first structure report of an η(6)-anthracene cobalt(III) complex.

摘要

标题结构[Co(η(6)-C₁₄H₁₀){Sn(CH₃)₃}₃]的不对称单元包含两个独立分子。每个蒽配体通过η(6)与一个Co(III)阳离子配位,且几乎呈平面状[折叠角分别为5.4 (3)°和9.7 (3)°],这与其几乎完全作为高氧化态金属中心的供体的行为预期相符。每个蒽配体的轻微折叠导致与环连接碳原子的Co - C键长比与其他四个碳原子的键长略长。每个Co(III)阳离子进一步由三个Sn(CH₃)₃配体配位,使每个分子具有三脚钢琴凳几何构型。在两个独立分子中的每一个中,三个SnMe₃配体在两个位置上呈无序排列,旋转角度约为30%,使得碳原子几乎重叠。在一个分子中,无序比例精修后为0.9365 (8):0.0635 (8),而另一个分子的无序比例精修后为0.9686 (8):0.0314 (8)。分子之间间隔良好,因此未观察到明显的分子间相互作用。该化合物作为首个η(6)-蒽钴(III)配合物的结构报道具有一定意义。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/da04/4257331/651d0eeef2c4/e-70-00312-fig1.jpg

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