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Synthesis and Structure of Compound [C(NH2)3]2{[MoO(H2O)C2O4]2(μ-O)2}·2H2O

LI Qi, LIU Guang, ZHANG Shiwei   

  1. State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871
  • Received:2002-06-14 Online:2003-03-20 Published:2003-03-20

[C(NH2)3]2{[MoO(H2O)C2O4]2(μ-O)2}·2H2O的合成与结构

李琦, 刘广, 章士伟   

  1. 北京大学化学与分子工程学院,分子动态与稳态国家重点实验室,北京,100871

Abstract: A new compound [C(NH2)3]2{[MoO(H2O)C2O4]2(μ-O)2}·2H2O has been prepared and its crystal structure has been determined by X-ray diffraction analysis. This compound consists of two edge-shared molybdenum-oxygen octahedra and all the Mo atoms are of charge +5. Mo centers are chelated by oxalates. Carbamidines [C(NH2)3]+ act as counter cations and take part in the construction of hydrogen bonds network. The crystal is monoclinic, space group P21/c, a=0.7956(2)nm, b=1.8996(4)nm, c=1.2832(3)nm, β=106.78(3)o, V=1.8568(7)nm3, R1=0.0243, ωR2=0.0672.

Key words: molybdenum, binuclear, crystal structure, hydrogen bond

摘要: 合成并用元素分析和单晶X射线衍射表征了一个新的化合物[C(NH2)3]2{[MoO(H2O)C2O4]2(μ-O)2}·2H2O,测定结果表明该化合物中存在金属Mo-Mo键,通过计算知道钼原子是+5价的,两个钼氧八面体是共边连接的,每个钼上有一个螯合的草酸根,而胍作为阳离子存在于晶体中,参与构筑有特色的氢键网络。该化合物属单斜晶系,空间群P21/c, a=0.7956(2)nm, b=1.8996(4)nm, c=1.2832(3)nm, β=106.78(3)o, V=1.8568(7)nm3, R1=0.0243, ωR2=0.0672.

关键词: 钼, 双核, 晶体结构, 氢键

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