Synthesis and Structure of a Titanocene-ferrocenyl Complex

【摘要】 A titanocene-ferrocenyl complex, (5-ferrocenyl-2-hydroxybenzenecarboxylato- O,O′)-bis(methylcyclopentadienyl)titanium(IV) 4, and an unexpected ionic complex, [C7H8NO3]- [(C5H5)Fe(C5H4)SO3]·H2O 3 were synthesized and characterized by IR, 1H NMR and elemental analysis. Compound 3 is of triclinic, space group P1 with a = 5.954(2), b = 13.208(5), c = 13.252(5) , α = 60.993(7), β = 84.342(8), γ = 86.933(8)°, Z = 2, V = 906.8(6) 3, Dc = 1.601 g/cm3, μ(MoKα) = 0.987 mm-1, F(000) = 452, the final R = 0.0647 and wR = 0.1333 for 2311 observed reflections (I > 2σ(I)). Compound 4 belongs to the monoclinic system, space group P21/c with a = 14.3310(9), b = 12.5065(8), c = 12.9406(10) , β = 95.101(4)°, Z = 4, V = 2310.2(3) 3, Dc = 1.513 g/cm3, μ(MoKα) = 1.004 mm-1, F(000) = 1088, the final R = 0.0461 and wR = 0.1048 for 2112 observed reflections (I > 2σ(I)).更多还原

【Abstract】 A titanocene-ferrocenyl complex, (5-ferrocenyl-2-hydroxybenzenecarboxylato- O,O′)-bis(methylcyclopentadienyl)titanium(IV) 4, and an unexpected ionic complex, [C7H8NO3]- [(C5H5)Fe(C5H4)SO3]·H2O 3 were synthesized and characterized by IR, 1H NMR and elemental analysis. Compound 3 is of triclinic, space group P1 with a = 5.954(2), b = 13.208(5), c = 13.252(5) , α = 60.993(7), β = 84.342(8), γ = 86.933(8)°, Z = 2, V = 906.8(6) 3, Dc = 1.601 g/cm3, μ(MoKα) = 0.987 mm-1, F(000) = 452, the final R = 0.0647 and wR = 0.1333 for 2311 observed reflections (I > 2σ(I)). Compound 4 belongs to the monoclinic system, space group P21/c with a = 14.3310(9), b = 12.5065(8), c = 12.9406(10) , β = 95.101(4)°, Z = 4, V = 2310.2(3) 3, Dc = 1.513 g/cm3, μ(MoKα) = 1.004 mm-1, F(000) = 1088, the final R = 0.0461 and wR = 0.1048 for 2112 observed reflections (I > 2σ(I)).更多还原