Shawkataly Omar Bin, Pankhi Mohd Aslam A, Yeap Chin Sing, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 28;66(Pt 5):m583-4. doi: 10.1107/S1600536810013838.
The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(18)H(12)Cl(3)P)(2)(CO)(10)]·H(2)O, consists of one triangulo-triruthenium complex and one disordered water solvent molecule. Two of the 3-chloro-phenyl rings are disordered over two positions with refined site occupancies of 0.671 (3)/0.329 (3) and 0.628 (3)/0.372 (3). The water mol-ecule is disordered over two positions with refined site occupancies of 0.523 (7) and 0.477 (7). Two equatorial carbonyl groups have been substituted by the two monodentate phosphine ligands, leaving one equatorial and two axial carbonyl substituents on the two Ru atoms. The remaining Ru atom carries two equatorial and two axial terminal carbonyl ligands. In the crystal structure, mol-ecules are linked into columns along the a axis by inter-molecular C-H⋯Cl and C-H⋯O hydrogen bonds. The mol-ecular structure is stabilized by weak intra-molecular C-H⋯O hydrogen bonds.
标题化合物三钌三角架化合物[Ru(3)(C(18)H(12)Cl(3)P)(2)(CO)(10)]·H(2)O的不对称单元由一个三钌三角架配合物和一个无序的水溶剂分子组成。3-氯苯基环中的两个在两个位置上无序，其精制的位点占有率分别为0.671 (3)/0.329 (3)和0.628 (3)/0.372 (3)。水分子在两个位置上无序，其精制的位点占有率分别为0.523 (7)和0.477 (7)。两个赤道羰基已被两个单齿膦配体取代，在两个Ru原子上留下一个赤道羰基和两个轴向羰基取代基。其余的Ru原子带有两个赤道和两个轴向末端羰基配体。在晶体结构中，分子通过分子间的C-H⋯Cl和C-H⋯O氢键沿a轴连接成列。分子结构通过弱分子内C-H⋯O氢键得以稳定。
