(H₅O₂)[Cu_3(NO3)3(H₂O)₃(H-nitrilotripropionate)₂] | 1613706-34-5

• 英文名称: (H₅O₂)[Cu_3(NO3)3(H₂O)₃(H-nitrilotripropionate)₂]
• 英文别名: (H₅O₂)[Cu_3(NO3)3(H₂O)₃(Hntp)₂]
• CAS: 1613706-34-5
• 化学式: C₁₈H₃₂Cu₃N₅O₂₄*H₅O₂
• 分子量: 930.148
• InChiKey: RCAATUUVZRYUCU-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  copper(II) nitrate trihydrate 、 3,3,3-氨三丙酸 、 水 以 水 为溶剂， 生成 (H₅O₂)[Cu_3(NO3)3(H₂O)₃(H-nitrilotripropionate)₂]
  参考文献：
  名称：

  Trinuclear Cu(II) capsules self-assembled by nitrilotripropionate

  摘要：

  Five trinuclear copper(II) complexes supported by nitrilotripropionate (ntp) have been prepared at acidic pH values and characterized by elemental, infrared and X-ray diffraction methods, [Cu-3(H2O)(6)(Hntp)(2)] (ClO4)(2)center dot 2.5H(2)O (1), [Cu-3(H2O)(6)(Hntp)(2)](CF3SO3)(2)center dot 3.5H(2)O (2), [Cu-3(H2O)(9)(Hntp)(2)](SO4)center dot 4H(2)O (3), (H5O2) [Cu3Cl3(H2O)(3)(Hntp)(2)] (4), and (H5O2)[Cu-3(NO3)(3)(H2O)(3)(Hntp)(2)] (5). The structure of the polynuclear complexes show the presence of well-defined capsules formed by three Cu(II) cations and two protonated Hntp(2) ligands in a tritopic arrangement. The counter ion of the copper salt used in the preparation influences the final structure, by changing the connection between the capsules. In 1 and 2 the capsules are joint together by means of carboxylate-copper interactions with no intervention of the anions. In the case of 3, sulfate anions provide intercapsule interactions through hydrogen bonds. Chloride and nitrate have a different role in the structure of the capsules. 4 is an anionic capsule due to the participation of Cl in the copper coordination sphere. It also provides further capsule-capsule interaction through long-distance Cu-Cl bonds. 5 is a special case because nitrate is a bridging ligand, being bidentate towards one copper atom and monodentate towards another copper ion of an adjacent capsule. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.12.012