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四(μ-五氟苯甲酸根-κO:O')双[(四氢呋喃-κO)钼(II)]

Tetra-kis(μ-penta-fluoro-benzoato-κO:O')bis-[(tetra-hydro-furan-κO)molybdenum(II)].

作者信息

Han Li-Juan

机构信息

Department of Chemistry, Tongji University, Shanghai 200092, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1289-90. doi: 10.1107/S1600536811033411. Epub 2011 Aug 27.

Abstract

In the asymmetric unit of the title compound, [Mo(2)(C(7)F(5)O(2))(4)(C(4)H(8)O)(2)], two independent half-mol-ecules are present, which are completed by a crystallographically imposed center of inversion between the individual Mo atoms. In each mol-ecule, four penta-fluoro-benzoate anions bridge the quadruply bonded Mo(2) (4+) unit that is, in addition, axially coordinated by two O atoms of tetra-hydro-furan (THF) mol-ecules. In the two independent mol-ecules, the mean Mo-Mo bond length is 2.110 Å. Since the THF mol-ecules are equally disordered over two sets of sites, there are four different Mo-O distances in both half-mol-ecules with an overall mean of 2.542 Å. A zigzag chain is formed by π-π stacking inter-actions between penta-fluoro-phenyl rings, indicated by a centroid-centroid distance of 3.7054 (11) Å and a centroid-to-plane distance of 3.4169 (3) Å. The extension of the unit gives a three-dimensional network structure with the THF mol-ecules located in the voids.

摘要

在标题化合物[Mo₂(C₇F₅O₂)₄(C₄H₈O)₂]的不对称单元中,存在两个独立的半分子,它们通过各个钼原子之间晶体学上的反演中心而完整。在每个分子中,四个五氟苯甲酸根阴离子桥连四重键合的Mo₂(4+)单元,此外,该单元还通过四氢呋喃(THF)分子的两个氧原子进行轴向配位。在这两个独立的分子中,平均Mo - Mo键长为2.110 Å。由于THF分子在两组位置上无序程度相同,两个半分子中都有四种不同的Mo - O距离,总体平均值为2.542 Å。通过五氟苯环之间的π - π堆积相互作用形成了一条锯齿链,质心间距为3.7054(11) Å,质心到平面的距离为3.4169(3) Å。该单元的扩展形成了一种三维网络结构,THF分子位于空隙中。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0da8/3200930/8b063300109a/e-67-m1289-fig1.jpg

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