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Crystal Structure and 1H NMR Spectral Property of a Lantern-Type Diruthenium(II,III) Complex with One Formamidinato and Three Acetato Bridges

机译:具有一个甲酰胺基和三个乙酰基桥的灯笼型二钌(II,III)配合物的晶体结构和1H NMR光谱性质

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The title compound of a lantern-type diruthenium(II,III) complex, [Ru2(2,6-Me2-pf)(O2CMe)3Cl(THF)2]·0.5THF·H2O (2,6-Me2-pf = N,N′-bis(2,6-dimethylphenyl) formamidinate ion), was isolated, and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group C2/c with a = 26.178(5)Å, b = 13.567(3)Å, c = 18.796(4)Å, β = 108.168(4)°, V = 6343(2)Å3, Dx = 1.659 g/cm3, and Z = 8. The R1 [I 2σ(I)] and wR2 (all data) values are 0.0294 and 0.0591, respectively, for all 7283 independent reflections. The Ru-Ru distance is 2.2931(5)Å and the axial Ru-Cl and Ru-O (THF) distances are 2.4923(9) and 2.315(2)Å, respectively. The 1H NMR spectrum was measured in CD2Cl2 at 298 K, and the observed signals were assigned for the 2,6-Me2-pf- and MeCO2- ligands.
机译:灯笼型钌(II,III)配合物的标题化合物[Ru 2 (2,6-Me 2 -pf)(O 2 < /sub>CMe)3Cl(THF)2]·0.5THF·H2O(2,6-Me 2 -pf = N , N '-双(2,6-二甲基苯基)甲酰胺酸根离子),分离并通过单晶确定晶体结构晶体在90 K下的X射线衍射方法。它在 a = 26.178(5)的单斜空间群 C 2 / c 中结晶Å, b = 13.567(3)Å, c = 18.796(4)Å,β = 108.168(4)°, V = 6343(2)Å 3 , D x = 1.659 g / cm 3 ,和 Z =8。 R 1 [ I ( I )]和 wR 2(所有数据)的值分别针对所有7283个独立反射而分别为0.0294和0.0591。 Ru-Ru距离为2.2931(5)Å,轴向Ru-Cl和Ru-O(THF)距离分别为2.4923(9)和2.315(2)Å。在298 K的CD 2 Cl 2 中测量 1 H NMR谱,并将观察到的信号分配给2,6-Me 2 -pf -和MeCO 2 -配体。

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