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