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Synthesis and Structure of an Iridium(Ⅲ)-ferrocenyl-dithiophosphonate Complex [{Fc(OCH_3)PS_2}Ir(cod)] (Fc=Fe(η~5-C_5H_4)(η~5-C_5H_5),cod=1,5 Cyclooctadiene)

Synthesis and Structure of an Iridium(Ⅲ)-ferrocenyl-dithiophosphonate Complex [{Fc(OCH_3)PS_2}Ir(cod)] (Fc=Fe(η~5-C_5H_4)(η~5-C_5H_5),cod=1,5 Cyclooctadiene)
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摘要 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. 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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第3期380-383,共4页 结构化学(英文)
基金 supported by the National Natural Science Foundation of China (20771003)
关键词 IRIDIUM ferrocenyl-dithiophosphonate 1 5-cyclooctadiene SYNTHESIS crYstal structure iridium, ferrocenyl-dithiophosphonate, 1,5-cyclooctadiene, synthesis, crYstal structure
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