bis(μ6-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)]dimethyl formamide solvate enclosing pyrazine | 916915-32-7

• 英文名称: bis(μ6-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)]dimethyl formamide solvate enclosing pyrazine
• CAS: 916915-32-7
• 化学式: C₃H₇NO*C₄H₄N₂*C₄₀H₁₀₄Cu₈N₈O₄₀Si₁₆
• 分子量: 2448.22
• InChiKey: AINVVXPXOMENQE-JTYGDRTLSA-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

• 作为产物：
  描述：

  吡嗪 、 甲基三乙氧基硅烷 、 N,N-二甲基甲酰胺 、 copper dichloride 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 生成 bis(μ6-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)]dimethyl formamide solvate enclosing pyrazine
  参考文献：
  名称：

  Bis(μ₆-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide solvate enclosing a pyrazine molecule

  摘要：

  The title compound, [Cu-8(C8H24O2Si)(2)(C3H7NO)(8)]center dot C4H4N2 center dot C3H7NO, features a sandwich-like cage enclosing a pyrazine mol-ecule, both situated on a centre of inversion. In addition, the crystal structure contains one dimethyl-formamide mol-ecule which is disordered over a centre of inversion. The copper layer, containing eight atoms, is located between two siloxanolate fragments. The whole structure of Cu atoms and siloxanolate rings is distorted by the pyrazine mol-ecule, leading to an oval form. As a result, the angles between the Cu atoms differ at the copper layer. The difference in the angles could lead to some deviations in the Cu-Cu exchange inter-actions within the copper ring, which is of inter-est for mol-ecular magnetism.

  DOI：

  10.1107/s0108270106008924