链状聚[二-μ3-苯甲酸根合钙-κ(6) O,O':O-μ2-(二甲基亚砜)-κ(2) O:O]的晶体结构
Crystal structure of catena-poly[calcium-di-μ3-benzoato-κ(6) O,O':O-μ2-(dimethyl sulfoxide)-κ(2) O:O].
作者信息
Voronova Anna S, Petrusenko Svitlana R, Goreshnik Evgeny
机构信息
Department of Inorganic Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, Ukraine.
Department of Inorganic Chemistry and Technology, Jožef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Jul 8;71(Pt 8):906-9. doi: 10.1107/S2056989015012487. eCollection 2015 Aug 1.
In the title complex, [Ca(C7H5O2)2(C2H6OS)] n , the Ca(2+) ion (site symmetry m..) is surrounded by eight O atoms, six from two bridging-chelating tridentate benzoate carboxyl groups and two from a bridging dimethyl sulfoxide mol-ecule (point group symmetry m..), giving an irregular coordination geometry [Ca-O bond length range = 2.345 (2)-2.524 (2) Å]. One-dimensional coordination complex chains extending parallel to c are generated in which the triply μ2-O-bridged Ca(2+) cations are separated by 3.6401 (5) Å. In the crystal, weak intra-chain C-H⋯π hydrogen bonds are present between the methyl H atoms of the dimethyl sulfoxide mol-ecules as donors and the aromatic rings as acceptors [C-H⋯Cg = 3.790 (4) Å].
在标题配合物[Ca(C₇H₅O₂)₂(C₂H₆OS)]ₙ中，Ca²⁺离子（位点对称性m..）被八个O原子包围，其中六个来自两个桥连螯合的三齿苯甲酸羧基，两个来自一个桥连二甲基亚砜分子（点群对称性m..），形成不规则的配位几何构型[Ca - O键长范围 = 2.345 (2)-2.524 (2) Å]。生成了平行于c轴延伸的一维配位聚合物链，其中通过三重μ₂ - O桥连的Ca²⁺阳离子相隔3.6401 (5) Å。在晶体中，二甲基亚砜分子的甲基H原子作为供体与芳环作为受体之间存在弱的链内C - H⋯π氢键[C - H⋯Cg = 3.790 (4) Å]。
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