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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ2O,O′)iron(III)
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Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ2O,O′)iron(III)

机译:三(乙酰丙酮-κ2O,O')铁(III)的第三多晶型物的晶体结构

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In the structure of the title complex, [Fe(C5H7O2)3] or Fe(acac)3, the asymmetric unit contains one mol­ecule in a general position. The coordination sphere of the FeIII atom is that of a slightly distorted octahedron. The crystal under investigation was a two-component pseudo-merohedral twin in the monoclinic system with a β angle close to 90°. Twin law [100/0-10/00-1] reduced the R1 residual [I 2σ(I)] from 0.0769 to 0.0312, and the mass ratio of twin components refined to 0.8913 (5):0.1087 (5). In the crystal, mol­ecules are arranged in sheets normal to [001] via non-classical C—H⋯O hydrogen bonding. No other significant inter­molecular inter­actions are observed. The structure is a new polymorph of Fe(acac)3 and is isotypic with one polymorph of its gallium analog.
机译:在标题配合物[Fe(C5H7O2)3]或Fe(acac)3的结构中,不对称单元在一般位置包含一个分子。 FeIII原子的配位球是稍微扭曲的八面体的配位球。所研究的晶体是单斜晶系统中的两组分拟面体孪晶,其β角接近90°。孪晶定律[100 / 0-10 / 00-1]将R1残留[I>2σ(I)]从0.0769降低至0.0312,并且孪生组分的质量比精制为0.8913(5):0.1087(5)。在晶体中,分子通过非典型的CHH = O氢键垂直于[001]排列。没有观察到其他明显的分子间相互作用。该结构是Fe(acac)3的一种新的多晶型物,并且与其镓类似物的一个多晶型物同型。

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