Viljoen J Augustinus, Visser Hendrik G, Roodt Andreas
Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1822-3. doi: 10.1107/S1600536811049543. Epub 2011 Nov 25.
The binuclear molecule of the title compound, [Hf(2)(C(10)H(6)F(3)O(2))(6)(OH)(2)]·2C(3)H(7)NO, lies across an inversion centre and contains a Hf(IV) atom which is eight-coordinated and surrounded by three chelating β-diketonato tris-(4,4,4-trifluoro-1-phenyl-acetyl-acetonate (tfba(-)) ligands and two bridging OH(-) groups in a distorted square-anti-prismatic geometry. The Hf-O bond lengths vary from 2.073 (2) to 2.244 (2) Å and the O-Hf-O bite angles vary from 73.49 (9) to 75.60 (9)°. Weak O-H⋯O hydrogen-bonding inter-actions are observed between the bridging hy-droxy groups and the dimethylformamide solvent mol-ecules. The unit cell contains solvent-accessible voids of 131 Å(3), but the residual electron density in the difference Fourier map suggests no solvent mol-ecule occupies this void.
标题化合物[Hf₂(C₁₀H₆F₃O₂)₆(OH)₂]·2C₃H₇NO的双核分子位于一个反演中心上，包含一个八配位的Hf(IV)原子，该原子被三个螯合的β - 二酮基三 - (4,4,4 - 三氟 - 1 - 苯基 - 乙酰丙酮(tfba⁻))配体和两个桥连的OH⁻基团以扭曲的四方反棱柱几何构型所包围。Hf - O键长在2.073(2)至2.244(2) Å之间变化，O - Hf - O夹角在73.49(9)至75.60(9)°之间变化。在桥连羟基与二甲基甲酰胺溶剂分子之间观察到弱的O - H⋯O氢键相互作用。晶胞包含131 ų的溶剂可及空隙，但差值傅里叶图中的残余电子密度表明没有溶剂分子占据此空隙。
