[Nd(hwxaazacycloocatadecane)(NO3)3] | 194917-54-9

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: [Nd(hwxaazacycloocatadecane)(NO3)3]
• CAS: 194917-54-9
• 化学式: C₁₂H₃₀N₉NdO₉
• 分子量: 588.665
• InChiKey: OQQSIKBIJTWWIH-UHFFFAOYSA-N

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：
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• 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：

  neodymium(III) nitrate hexahydrate 、 1,4,7,10,13,16-六氮杂环十八烷 以 甲醇 为溶剂， 生成 [Nd(hwxaazacycloocatadecane)(NO3)3]
  参考文献：
  名称：

  Crystal structure and properties of neodymium complex with hexaazacyclooctadecane ligand

  摘要：

  The neodymium complex with hexaazacyclooctadecane ([18]aneN(6)) has been obtained as a single crystal by the reaction of neodymium nitrate and macrocycle ligand in methanol solution. The crystal structure of the complex [Nd([18]aneN(6)) (NO3)(3)] was determined by X-ray diffraction. The neodymium centre is 10-coordinate with the coordination polyhedron being an irregular capped square-antiprism. The absorption spectrum of the complex was measured and the intensities of f-f transitions were analyzed according to the Judd-Ofelt theory. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(97)00088-0