Manning Anthony R, McAdam C John, Palmer Anthony J, Simpson Jim
Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 10;64(Pt 5):m635-6. doi: 10.1107/S1600536808008970.
The asymmetric unit of the title compound, [FeCo(2)(C(5)H(5))(2)(C(3)H(3)S(3))S(C(18)H(15)P)(CO)]CF(3)SO(3), consists of a triangular irondicobalt cluster cation and a trifluoro-methane-sulfonate anion. In the cation, the FeCo(2) triangle is symmetrically capped on one face by an S atom and on the other by a C atom linked to a methyl trithio-carbonate residue that bridges the Fe-C bond. Each Co atom carries a cyclo-penta-dienyl ligand while the Fe atom coordinates to one carbonyl and one triphenyl-phosphine ligand. In the crystal structure, the cation is linked to the anion by a number of weak non-classical C-H⋯O and C-H⋯F hydrogen bonds and weak S⋯O (3.317 Å) and S⋯F (3.198 Å) inter-actions. The structure is further stabilized by additional inter-molecular C-H⋯O, C-H⋯F and O⋯O (2.942 Å) contacts, together with an unusual S⋯π(Cp) inter-action (S⋯centroid distance = 3.385 Å), generating an extended network.
标题化合物[FeCo₂(C₅H₅)₂(C₃H₃S₃)S(C₁₈H₁₅P)(CO)]CF₃SO₃的不对称单元由一个三角形铁钴簇阳离子和一个三氟甲磺酸根阴离子组成。在阳离子中,FeCo₂三角形的一个面上由一个S原子对称封顶,另一个面上由一个与连接Fe-C键的甲基三硫代碳酸酯残基相连的C原子封顶。每个Co原子带有一个环戊二烯基配体,而Fe原子与一个羰基和一个三苯基膦配体配位。在晶体结构中,阳离子通过一些弱的非经典C-H⋯O和C-H⋯F氢键以及弱的S⋯O(3.317 Å)和S⋯F(3.198 Å)相互作用与阴离子相连。该结构通过额外的分子间C-H⋯O、C-H⋯F和O⋯O(2.942 Å)接触以及一种不寻常的S⋯π(Cp)相互作用(S⋯质心距离 = 3.385 Å)进一步稳定,形成一个扩展网络。