μ-cyano-bis(2,2':6',2''-terpyridine-N,N',N'')dicopper(II) perchlorate acetonitrile | 190841-44-2

• 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: μ-cyano-bis(2,2':6',2''-terpyridine-N,N',N'')dicopper(II) perchlorate acetonitrile
• 英文别名: dicopper;acetonitrile;2,6-dipyridin-2-ylpyridine;cyanide;triperchlorate
• CAS: 190841-44-2
• 化学式: C₃₃H₂₅Cl₃Cu₂N₈O₁₂
• 分子量: 959.059
• InChiKey: OANFMERYZNDOIL-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -7.24
• 重原子数：
  58
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  348
• 氢给体数：
  0
• 氢受体数：
  21

反应信息

• 作为产物：
  描述：

  [Fe(meso-tetrakis(2,4,6-trimethylphenyl)porphyrinate)(CN)2](1-) 、 [Cu(2,2':6',2''-terpyridine)(H2O)](ClO4)2 以 乙腈 为溶剂， 生成 μ-cyano-bis(2,2':6',2''-terpyridine-N,N',N'')dicopper(II) perchlorate acetonitrile
  参考文献：
  名称：

  μ-Cyano-bis(2,2':6',2''-terpyridine-N,N',N'')dicopper(II) Perchlorate Acetonitrile, [Cu₂(CN)(C₁₅H₁₁N₃)₂](ClO₄)₃.CH₃CN

  摘要：

  The [Cu-2(terpy)(2)(CN)](3+) cation (terpy is 2,2':6',2 ''-terryridine) is non-centrosymmetric and contains two Cu-II centres bridged by a disordered cyano group. The overall geometry around both metallic centres can be described as a distorted octahedron. The equatorial coordination plane is occupied by the N atoms of the tridentate terpy ligand and by an atom (C* or N*) of the cyanide bridge. The axial positions for one Cu atom are occupied by O atoms of two perchlorate anions while, for the other Cu atom, a perchlorate ion and an acetonitrile molecule lie in trans positions.

  DOI：

  10.1107/s0108270196015570