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首页> 外文期刊>Journal of chemical crystallography >Regiospecific CO substitution in (mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(9) by 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione(bpcd). X-ray structure of (mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(7)(bpcd)center dot MeOH
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Regiospecific CO substitution in (mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(9) by 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione(bpcd). X-ray structure of (mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(7)(bpcd)center dot MeOH

机译:4,5-双(二苯基膦基)-4-环戊烯-1,3-二酮在(mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(9)中的区域特异性CO取代(bpcd)。 (mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(7)(bpcd)中心点MeOH的X射线结构

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摘要

The triruthenium cluster (mu-H) Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(9) reacts with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd) in the presence of Me3NO to afford (mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(7)(bpcd) in moderate yield. This new cluster has been isolated and characterized in solution by IR and NMR (H-1,P-31) spectroscopies, and the solid-state structure has been established by X-ray crystallography. (mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(7)(bpcd).MeOH crystallizes in the triclinic space group P (1) over bar, a=11.2426(8) Angstrom, b=11.7141(8) Angstrom, c=16.195(1) Angstrom, alpha=102.041 (5)degrees, beta=95.128(5)degrees, gamma=102.553(6)degrees, V=200804(3)Angstrom(3), Z=2, d(calc.)=1.733 g/cm(3); R=0.0488, R-W=0.0546 for 2212 observed reflections with I>3sigma(I). The X-ray structure reveals that the bpcd ligand is bound exclusively to the Ru-3 core at the ruthenium center coordinated by the terminal CH unit of the pi-allylic mu(3)-eta(3)-CHCHCMe moiety. [References: 17]
机译:三钌簇(mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(9)与二膦配体4,5-双(二苯基膦基)-4-环戊烯-1反应, 3-二酮(bpcd)在Me3NO存在下以中等收率提供(mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(7)(bpcd)。该新团簇已通过红外和NMR(H-1,P-31)光谱学进行了分离和表征,并通过X射线晶体学确定了固态结构。 (mu-H)Ru-3(mu(3)-eta(3)-CHCHCMe)(CO)(7)(bpcd).MeOH在三斜晶系空间群P(1)中以bar结晶,a = 11.2426(8) )埃,b = 11.7141(8)埃,c = 16.195(1)埃,alpha = 102.041(5)度,beta = 95.128(5)度,γ= 102.553(6)度,V = 200804(3)埃(3),Z = 2,d(计算值)= 1.733 g / cm(3);对于I> 3sigma(I)观察到的2212个反射,R = 0.0488,R-W = 0.0546。 X射线结构揭示bpcd配体仅与钌烯中心的Ru-3核结合,并由π-烯丙基mu(3)-eta(3)-CHCHCMe部分的末端CH单元配位。 [参考:17]

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