(NH4)[Eu(ethylenediaminetetraacetate)(H2O)3]*H2O | 749216-66-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (NH4)[Eu(ethylenediaminetetraacetate)(H2O)3]*H2O
• 英文别名: (NH4)[Eu(Edta)(H2O)3]*H2O
• CAS: 749216-66-8
• 化学式: C₁₀H₁₈EuN₂O₁₁*H₂O*H₄N
• 分子量: 530.273
• InChiKey: GCTOHLSMOCXRAV-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  europium(III) oxide 、 乙二胺四乙酸 、 氨 、 水 以 水 为溶剂， 生成 (NH4)[Eu(ethylenediaminetetraacetate)(H2O)3]*H2O
  参考文献：
  名称：

  Syntheses and Structural Researches of Nine-Coordinated (NH₄)[Eu^III(Edta)(H₂O)₃] · H₂O and (NH₄)₃[Eu^III(Ttha)] · 5H₂O¹

  摘要：

  The crystal and molecular structures of the (NH4)[Eu-III(Edta)(H2O)(3)].H2O (1); Edta(4-) is an ethylenediaminetetraacetate anion) and (NH4)(3)[Eu-III(Ttha)].5H(2)O (II); Ttha(6-) is a triethylenetetraminehexaacetate anion) complexes have been determined by single-crystal X-ray structure analysis. The crystal of complex I is orthorhombic with Fdd2 space group. The crystal data are as follows: a = 1.9505(8) nm, b = 3.5445(14) nm, c = 1.2442(5) nm, V = 8.602(6) nm(3), Z = 16, M = 531.29, p = 1.579 g cm(-3), mu = 2.970 mm(-1), and F(OOO) = 3924. The final R and wR values are 0.0378 and 0.1030 for 2799 (I > 2.0sigma(I)) unique reflections, and 0.0495 and 0.1072 for all 6237 reflections, respectively. The nine-coordinated [Eu-III(Edta)(H2O)(3)](-) complex anion has a pseudo-monocapped square antiprismatic structure in which the nine coordinated atoms, two N and four O are from one Edta ligand and three O atoms from water molecules. The crystal of complex H is monoclinic with P2(1)/c space group. The crystal data are as follows: a = 1.0387(3) nm, b = 1.2737(4) nm, c = 2.3031(7) nm, beta = 90.870(5)degrees, V = 3.047(2) nm(3), Z = 4, M = 784.58, C 51.83, H 4.32, N 115.12. rho = 1.710 g cm(-3), mu = 2.143 mm(-1) and F(000) = 1608. The final R and wR are 0.0400 and 0.0720 for 5909 (I > 2.0sigma(I)) unique reflections, and 0.0747 and 0.0799 for all 13 825 reflections, respectively. The nine-coordinated [Eu-III(Ttha)](3-) complex anion has a pseudo-monocapped square antiprismatic! structure in which the Ttha acts as an ninedentate ligand with four N atoms of amino groups and five O atoms of carboxylic groups actually, in addition, there is a non-coordinated free carboxylic group in the structure.

  DOI：

  10.1023/b:ruco.0000015085.35282.af