| Synthesis and Crystal Structure of a New Iron Complex with Cyclic Water Hexamers [Fe(CDTA)(H_2O)]·[Fe(1,10-phen)_3]·10H_2O·2OH |
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| 引用本文： | 翟君,徐立.Synthesis and Crystal Structure of a New Iron Complex with Cyclic Water Hexamers [Fe(CDTA)(H_2O)]·[Fe(1,10-phen)_3]·10H_2O·2OH[J].结构化学,2012,31(2):255-261. |
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| 作者姓名： | 翟君 徐立 |
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| 作者单位： | State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences;Graduate School of the Chinese Academy of Sciences |
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| 基金项目： | supported by Knowledge Innovation Program (No. KJCX2-EW-H01);the Chinese Academy of Sciences and National Natural Science Foundation of China (No. 21073190) |
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| 摘 要： | The title complex Fe(CDTA)(H2O)]·Fe(1,10-phen)3]·10H2O·2OH (CDTA = transcyclohexane-1,2-diamine-N,N,N,N′-tetraacetate) has been prepared and characterized by single-crystal X-ray diffraction analysis. The crystal adopts space group P with a = 12.793(4), b = 14.104(5), c = 17.880(5), V = 2792.2(1)3, Dc = 1.459 g/cm3, C50H66Fe2N8O21, Mr = 1226.81, F(000) = 1284, μ = 0.604 mm-1, Z = 2, R = 0.1055 and wR = 0.2581 for 8675 observed reflections (I > 2σ(I)). X-ray crystallography analysis exhibits that the title compound consists of two crystallographically independent molecules Fe(CDTA)(H2O)] and Fe(1,10-phen)3], and they are connected through O-H···O hydrogen bonds and π···π stacking interactions forming a 3D supramolecular structure. Interestingly, there is a cyclic water hexamer with chair conformation in this complex.
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| 关 键 词： | 晶体结构 H2O 六聚体 循环水 复合物 X-射线衍射分析 X射线晶体分析 标题化合物 |
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