Shawkataly Omar Bin, Khan Imthyaz Ahmed, Yeap Chin Sing, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 24;66(Pt 1):m90-1. doi: 10.1107/S1600536809053884.
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru(3)(C(25)H(22)As(2))(C(18)H(12)Cl(3)P)(CO)(9)]·CHCl(3), consists of two mol-ecules (A and B) of the triangulo-triruthenium complex and one mol-ecule of chloro-form solvent. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphine-substituted benzene rings make dihedral angles of 73.5 (3), 57.2 (3) and 75.7 (3)° with each other in mol-ecule A, while these angles are 60.7 (3), 86.8 (3) and 54.9 (3)° in mol-ecule B. The dihedral angles between the two benzene rings are 87.3 (3) and 89.6 (3)° for the two diphenyl-arsino groups in mol-ecule A and 85.6 (3) and 87.7 (3)° in mol-ecule B. In the crystal packing, the mol-ecules are linked into a three-dimensional framework via inter-molecular C-H⋯O and C-H⋯Cl hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions furture stabilize the crystal structure. The crystal studied was an inversion twin, the refined ratio of twin components being 0.480 (7):0.520 (7).
标题为三角三钌化合物2[Ru₃(C₂₅H₂₂As₂)(C₁₈H₁₂Cl₃P)(CO)₉]·CHCl₃的不对称单元由两个三角三钌配合物分子(A和B)和一个氯仿溶剂分子组成。双(二苯基砷基)甲烷配体桥连Ru-Ru键,单齿膦配体与第三个Ru原子键合。膦配体和砷配体相对于Ru₃三角形均处于赤道位置。此外,每个Ru原子带有一个赤道面和两个轴向末端羰基配体。在分子A中,三个膦取代的苯环彼此之间的二面角分别为73.5(3)°、57.2(3)°和75.7(3)°,而在分子B中这些角度分别为60.7(3)°、86.8(3)°和54.9(3)°。分子A中两个二苯基砷基的两个苯环之间的二面角分别为87.3(3)°和89.6(3)°,分子B中为85.6(3)°和87.7(3)°。在晶体堆积中,分子通过分子间C-H⋯O和C-H⋯Cl氢键连接成三维框架。弱分子间C-H⋯π相互作用进一步稳定了晶体结构。所研究的晶体是一个倒转孪晶,孪晶组分的精修比例为0.480(7):0.520(7)。