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氯三[μ(2)-2-(二甲基氨基)乙醇酸根合] - μ(3)-羟基 - 三μ(2)-三氟乙酸根合四铜(II) 四氢呋喃溶剂化物

Chloridotris[μ(2)-2-(dimethyl-amino)-ethano-lato]-μ(3)-hydroxido-tri-μ(2)-trifluoro-acetato-tetra-copper(II) tetra-hydro-furan solvate.

作者信息

Hussain S Tajammul, Bakar Shahzad Abu, Mazhar Mohammad, Zeller Matthias

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 18;66(Pt 7):m814-5. doi: 10.1107/S1600536810022877.

Abstract

The title compound, [Cu(4)(C(2)F(3)O(2))(3)(C(4)H(10)NO)(3)Cl(OH)]·C(4)H(8)O or [Cu(4)(TFA)(3)(dmae)(3)Cl(OH)]·THF (dmae is dimeth-yl-amino-ethano-late, TFA is trifluoro-acetate and THF is tetra-hydro-furan), has an approximate mol-ecular threefold symmetry with three equivalent {Cu(dmae)(TFA)} units bridging between a Cu-Cl and a hydroxide unit, with the latter two lying on the mol-ecular threefold axis. However, in the solid state, the tetranuclear complex has C(i) symmetry. The Cu atom bonded to the Cl atom has a distorted tetra-hedral geometry. The other three Cu atoms have distorted square-pyramidal geometries with an NO(4) coordination environment. The bonds within the CuNO(3) base of the pyramid range from 1.953 (2) to 2.033 (3) Å, while the apical Cu-O bonds are significantly longer, ranging from 2.286 (2) to 2.377 (2) Å. The square-pyramidal geometries are augmented by weak inter-actions towards a sixth O atom, forming a highly distorted octa-hedral coordination environment [long Cu-O distances = 2.712 (2)-2.824 (2) Å]. The hydroxide group is hydrogen bonded to the tetra-hydro-furan solvent mol-ecule. One of the -CF(3) groups shows minor disorder over two positions, with a refined occupancy ratio of 0.894 (4):0.106 (5).

摘要

标题化合物,[Cu₄(C₂F₃O₂)₃(C₄H₁₀NO)₃Cl(OH)]·C₄H₈O 或 [Cu₄(TFA)₃(dmae)₃Cl(OH)]·THF(dmae 是二甲基氨基乙醇酸根,TFA 是三氟乙酸根,THF 是四氢呋喃),具有近似的分子三重对称性,三个等价的 {Cu(dmae)(TFA)} 单元连接在一个 Cu-Cl 和一个氢氧根单元之间,后两者位于分子三重轴上。然而,在固态下,四核配合物具有 Cᵢ 对称性。与 Cl 原子键合的 Cu 原子具有扭曲的四面体几何构型。其他三个 Cu 原子具有扭曲的四方锥几何构型,配位环境为 NO₄。四方锥的 CuNO₃ 碱基内的键长范围为 1.953(2) 至 2.033(3) Å,而顶端的 Cu-O 键明显更长,范围为 2.286(2) 至 2.377(2) Å。四方锥几何构型通过与第六个 O 原子的弱相互作用得到增强,形成高度扭曲的八面体配位环境 [长 Cu-O 距离 = 2.712(2)-2.824(2) Å]。氢氧根基团与四氢呋喃溶剂分子形成氢键。其中一个 -CF₃ 基团在两个位置上显示出轻微的无序,精修占有率比为 0.894(4):0.106(5)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/42b1/3006744/0eb1d9159a07/e-66-0m814-fig1.jpg

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