Viljoen J Augustinus, Visser Hendrik G, Roodt Andreas
Department of Chemistry, University of the Free State, P.O. Box 339, Bloemfontein, 9300, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):m1428-9. doi: 10.1107/S1600536811038311. Epub 2011 Sep 30.
In the title compound, [Hf(C(11)H(10)NO)(4)]·2C(3)H(7)NO, the Hf(IV) atom is coordinated by four N,O-donating bidentate 5,7-dimethyl-8-quinolino-late (Ox(-)) ligands arranged to give a distorted square-anti-prismatic coordination polyhedron. The average Hf-O and Hf-N distances are 2.098 and 2.298 Å, respectively, and the average O-Hf-N bite angle is 70.2°. The crystal packing is controlled by π-π inter-actions between Ox(-) ligands of neighbouring mol-ecules, giving rise to a three-dimensional supra-molecular grid network. The inter-planar distances vary from 3.441 (1) to 3.509 (1) Å, while the centroid-centroid distances vary from 3.688 (2) to 3.759 (12) Å. A non-classical C-H⋯O hydrogen bond is observed between the complex and one of the solvate mol-ecules.
在标题化合物[Hf(C₁₁H₁₀NO)₄]·2C₃H₇NO中，Hf(IV)原子由四个N、O供体双齿5,7-二甲基-8-喹啉酸根（Ox⁻）配体配位，形成一个扭曲的四方反棱柱配位多面体。Hf - O和Hf - N的平均距离分别为2.098 Å和2.298 Å，平均O - Hf - N夹角为70.2°。晶体堆积由相邻分子的Ox⁻配体之间的π - π相互作用控制，形成三维超分子网格网络。平面间距在3.441(1)至3.509(1) Å之间变化，而质心间距在3.688(2)至3.759(12) Å之间变化。在配合物与一个溶剂化分子之间观察到一个非经典的C - H⋯O氢键。
