The title complex [Fc（OCH3）PS2Ir（cod）] （1, Fc = Fe（η^5-C5H4）（η^5-C5H5）, cod = 1,5-cyclooctadiene） has been prepared and characterized by X-ray diffraction analysis. It crystallizes in monoclinic, space gro...The title complex [Fc（OCH3）PS2Ir（cod）] （1, Fc = Fe（η^5-C5H4）（η^5-C5H5）, cod = 1,5-cyclooctadiene） has been prepared and characterized by X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 12.5567（5）, b = 13.5197（5）, c = 11.7833（4） A, β = 99.651（2）°, V = 1972.06（13）A^3, Z = 4, Mr = 611.52, Dc = 2.06 g/cm^3, μ（MoKα） = 7.775 mm^-, F（000） = 1184, S = 1.063, the final R = 0.0199 and wR = 0.0468 for 4063 observed reflections with I 〉 2σ（I） and 227 variables. The molecular structure of 1 shows that the central iridium atom is chelated by the [Fc（OCH3）PS2]-ligand via two sulfur atoms and coordinated by one η^4-cod molecule via four carbon atoms in a distorted octahedral coordination geometry. The average Ir-S and Ir-C bond lengths are 2.3712（8） and 2.122（3） A, respectively.展开更多
基金supported by the National Natural Science Foundation of China (20771003)
文摘The title complex [Fc（OCH3）PS2Ir（cod）] （1, Fc = Fe（η^5-C5H4）（η^5-C5H5）, cod = 1,5-cyclooctadiene） has been prepared and characterized by X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 12.5567（5）, b = 13.5197（5）, c = 11.7833（4） A, β = 99.651（2）°, V = 1972.06（13）A^3, Z = 4, Mr = 611.52, Dc = 2.06 g/cm^3, μ（MoKα） = 7.775 mm^-, F（000） = 1184, S = 1.063, the final R = 0.0199 and wR = 0.0468 for 4063 observed reflections with I 〉 2σ（I） and 227 variables. The molecular structure of 1 shows that the central iridium atom is chelated by the [Fc（OCH3）PS2]-ligand via two sulfur atoms and coordinated by one η^4-cod molecule via four carbon atoms in a distorted octahedral coordination geometry. The average Ir-S and Ir-C bond lengths are 2.3712（8） and 2.122（3） A, respectively.
