[Pr(DMF)4(H2O)3(μ-CN)Fe(CN)5]*H2O | 740811-99-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Pr(DMF)4(H2O)3(μ-CN)Fe(CN)5]*H2O
• 英文别名: N,N-dimethylformamide;iron(3+);praseodymium(3+);hexacyanide;tetrahydrate
• CAS: 740811-99-8
• 化学式: C₁₈H₃₄FeN₁₀O₇Pr*H₂O
• 分子量: 717.301
• InChiKey: BICTZLDESYVIOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.91
• 重原子数：
  38
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  228
• 氢给体数：
  4
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  N,N-二甲基甲酰胺 、 praseodymium(III) nitrate hexahydrate 、 potassium hexacyanoferrate(III) 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到[Pr(DMF)4(H2O)3(μ-CN)Fe(CN)5]*H2O
  参考文献：
  名称：

  Synthesis and Characterization of Heterodinuclear Ln³⁺−Fe³⁺ and Ln³⁺−Co³⁺ Complexes, Bridged by Cyanide Ligand (Ln³⁺ = Lanthanide Ions). Nature of the Magnetic Interaction in the Ln³⁺−Fe³⁺ Complexes

  摘要：

  The reaction of Ln(NO3)(3).aq with K-3[Fe(CN)(6)] Or K-3[Co(CN)(6)] in N,N'-dimethyltormamide (DMF) led to 25 heterodinuclear [Ln(DMF)(4)(H2O)(3)(mu-CN)Fe(CN)(5)]-nH(2)O and [Ln(DMF)(4)(H2O)(3)(mu-CN)Co(CN)(5)].nH(2)O complexes (with Ln = all the lanthanide(III) ions, except promethium and lutetium). Five complexes (Pr3+-Fe3+), (Tm3+-Fe3+), (Ce3+-Co3+), (Sm3+-Co3+), and (Yb3+-Co3+) have been structurally characterized; they crystallize in the equivalent monoclinic space groups P2(1)/c or P2(1)/n. Structural studies of these two families show that they are isomorphous. This relationship in conjunction with the diamagnetism of the Co3+ allows an approximation to the nature of coupling between the iron(III) and the lanthanide(III) ions in the [Ln(DMF)(4)(H2O)(3)(mu-CN)Fe(CN)(5)]-nH(2)O complexes. The Ln(3+)-Fe3+ interaction is antiferromagnetic for Ln = Ce, Nd, Gd, and Dy and ferromagnetic for Ln = Tb, Ho, and Tm. For Ln = Pr, Eu, Er, Sm, and Yb, there is no sign of any significant interaction. The isotropic nature of Gd3+ helps to evaluate the value of the exchange interaction.

  DOI：

  10.1021/ic025669g