poly[[aquaneodymium(III)]-μ3-decane-1,10-dicarboxylato-μ3-9-carboxynonanecarboxylato] | 714972-85-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: poly[[aquaneodymium(III)]-μ3-decane-1,10-dicarboxylato-μ3-9-carboxynonanecarboxylato]
• CAS: 714972-85-7
• 化学式: C₁₀H₁₆O₄*C₁₀H₁₇O₄*H₂O*Nd
• 分子量: 563.732
• InChiKey: JPJLSKLDPLLPKA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.28
• 重原子数：
  30.0
• 可旋转键数：
  18.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  189.19
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  poly[[aquaneodymium(III)]-μ3-decane-1,10-dicarboxylato-μ3-9-carboxynonanecarboxylato] 以 neat (no solvent) 为溶剂， 生成 poly[[neodymium(III)]-μ3-decane-1,10-dicarboxylato-μ3-9-carboxynonanecarboxylato]
  参考文献：
  名称：

  Poly[[aquaneodymium(III)]-μ₃-decane-1,10-dicarboxylato-μ₃-9-carboxynonanecarboxylato]

  摘要：

  The title compound, [Nd(C10H16O4)(C10H17O4)(H2O)](n), has a novel Nd-organic framework constructed from sebacic acid (C10H18O4) linkers, the longest aliphatic ligand used to date in lanthanide metal-organic framework compounds. The structure contains edge-shared chains of NdO8(H2O) tricapped trigonal prisms that propagate in the [ 100] direction, with Nd-O distances in the range 2.414 (4)-2.643 (4) Angstrom.

  DOI：

  10.1107/s0108270104003427
• 作为产物：
  描述：

  癸二酸 、 neodymium(III) nitrate hexahydrate 、 水 在 NH₄OH 作用下， 以 水 为溶剂， 以90%的产率得到poly[[aquaneodymium(III)]-μ3-decane-1,10-dicarboxylato-μ3-9-carboxynonanecarboxylato]
  参考文献：
  名称：

  Poly[[aquaneodymium(III)]-μ₃-decane-1,10-dicarboxylato-μ₃-9-carboxynonanecarboxylato]

  摘要：

  The title compound, [Nd(C10H16O4)(C10H17O4)(H2O)](n), has a novel Nd-organic framework constructed from sebacic acid (C10H18O4) linkers, the longest aliphatic ligand used to date in lanthanide metal-organic framework compounds. The structure contains edge-shared chains of NdO8(H2O) tricapped trigonal prisms that propagate in the [ 100] direction, with Nd-O distances in the range 2.414 (4)-2.643 (4) Angstrom.

  DOI：

  10.1107/s0108270104003427