Cole Jacqueline M, Chan Michael C W, Gibson Vernon C, Howard Judith A K
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m688-9. doi: 10.1107/S1600536811015650. Epub 2011 May 7.
In the title compound, [LiTa(C(10)H(15))(C(10)H(13)N)(2)Cl(C(4)H(10)O)], the Ta(V) atom is coordinated by a η(5)-penta-methyl-cyclo-penta-dienyl (Cp*) ligand, a chloride ion and two N-bonded 2-tert-butyl-phenyl-imide dianions. With respect to the two N atoms, the chloride ion and the centroid of the Cp* ring, the tantalum coordination geometry is approximately tetra-hedral. The lithium cation is bonded to both the 2-tert-butyl-phenyl-imide dianions and also a diethyl ether mol-ecule, in an approximate trigonal planar arrangement. The Ta⋯Li separation is 2.681 (15) Å. In the crystal, a weak C-H⋯Cl inter-action links the mol-ecules. When compared to the 2,6-diisopropyl-phenyl-imide analogue ('the Wigley derivative') of the title compound, the two structures are conformationally matched with an overall r.m.s. difference of 0.461Å.
在标题化合物[LiTa(C₁₀H₁₅)(C₁₀H₁₃N)₂Cl(C₄H₁₀O)]中，Ta(V)原子由一个η⁵-五甲基环戊二烯基（Cp*）配体、一个氯离子和两个N键合的2-叔丁基苯酰亚胺二价阴离子配位。相对于两个N原子、氯离子和Cp*环的质心，钽的配位几何形状近似为四面体。锂阳离子以近似三角平面排列的方式与两个2-叔丁基苯酰亚胺二价阴离子以及一个二乙醚分子键合。Ta⋯Li间距为2.681 (15) Å。在晶体中，弱的C—H⋯Cl相互作用连接着分子。与标题化合物的2,6-二异丙基苯酰亚胺类似物（“威格利衍生物”）相比，这两种结构在构象上匹配，整体均方根差值为0.461 Å。
