[Cu3(imidazole)8(μ-imidazolato)2(nitrate)2(cyanamidonitrate)2] | 242799-42-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Cu3(imidazole)8(μ-imidazolato)2(nitrate)2(cyanamidonitrate)2]
• CAS: 242799-42-4
• 化学式: C₃₂H₃₈Cu₃N₂₈O₁₀
• 分子量: 1165.47
• InChiKey: CGBIQDGTHSNELM-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：
  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

• 作为反应物：
  描述：

  [Cu3(imidazole)8(μ-imidazolato)2(nitrate)2(cyanamidonitrate)2] 以 neat (no solvent) 为溶剂， 生成 copper(II) oxide
  参考文献：
  名称：

  A trinuclear cyanamidonitrate–copper(II) complex bridged by imidazolato ligands

  摘要：

  Cyanamidonitrate (can(-) = NO2N(CN)(-)) forms with copper(II) ions and neutral base (Him = imidazole) a complex of the composition [Cu-3(Him)(8)(im)(2)(NO3)(2)(Can)(2)] where im stands for the imidazolato (deprotonated imidazole) ligand. The crystal structure reveals three Cu(II) atoms linked by two imidazolato groups in this trinuclear complex of the linear type [(can)(Him)(3)Cu(mu-im)Cu (Him)(2)(NO3)(2)(mu-im)Cu(Him)(3) (can)]. The terminal Cu atoms are pentacoordinated, whereas the central Cu atom has a strongly elongated octahedral coordination. The magnetic susceptibility measurements confirm that the exchange coupling constants of the adjacent Cu centers is strongly antiferromagnetic (J/hc = -115 cm(-1)). The magnetization per complex is M = 0.73 mu(B) at B = 5 T and T = 5 K, (C) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2005.03.023
• 作为产物：
  描述：

  咪唑 、 copper(II) nitrate trihydrate 、 potassium nitrocyanamide 以 甲醇 、 水 为溶剂， 以89%的产率得到[Cu3(imidazole)8(μ-imidazolato)2(nitrate)2(cyanamidonitrate)2]
  参考文献：
  名称：

  A trinuclear cyanamidonitrate–copper(II) complex bridged by imidazolato ligands

  摘要：

  Cyanamidonitrate (can(-) = NO2N(CN)(-)) forms with copper(II) ions and neutral base (Him = imidazole) a complex of the composition [Cu-3(Him)(8)(im)(2)(NO3)(2)(Can)(2)] where im stands for the imidazolato (deprotonated imidazole) ligand. The crystal structure reveals three Cu(II) atoms linked by two imidazolato groups in this trinuclear complex of the linear type [(can)(Him)(3)Cu(mu-im)Cu (Him)(2)(NO3)(2)(mu-im)Cu(Him)(3) (can)]. The terminal Cu atoms are pentacoordinated, whereas the central Cu atom has a strongly elongated octahedral coordination. The magnetic susceptibility measurements confirm that the exchange coupling constants of the adjacent Cu centers is strongly antiferromagnetic (J/hc = -115 cm(-1)). The magnetization per complex is M = 0.73 mu(B) at B = 5 T and T = 5 K, (C) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2005.03.023