decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ(2)S4,S5)nickelate(III) tetrahydrofuran solvate | 566197-88-4

• 英文名称: decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ(2)S4,S5)nickelate(III) tetrahydrofuran solvate
• CAS: 566197-88-4
• 化学式: C₄H₈O*C₆NiO₂S₈*C₂₀H₃₀Fe
• 分子量: 817.695
• InChiKey: RWNRJMOFKODRQF-UHFFFAOYSA-J

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：

  四氢呋喃 、 ferrocenium tetrafluoroborate 、 以 四氢呋喃 为溶剂， 生成 decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ(2)S4,S5)nickelate(III) tetrahydrofuran solvate
  参考文献：
  名称：

  Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ²S⁴,S⁵)nickelate(III) tetrahydrofuran solvate

  摘要：

  The title compound, [Fe(C10H15)(2)][Ni(C3OS4)(2)](C4H8O)-C-. or [Fe(Cp*)(2)][Ni(dmio)(2)](THF)-T-., where [Fe(Cp*)(2)](+) is the decamethylferrocenium cation, dmio is the 2-oxo-1,3-dithiole-4,5-dithiolate dianion and THF is tetrahydrofuran, crystallizes with two independent half-anion units [one Ni atom is at the centre of symmetry (1/2,1/2,0) and the other is at the centre of symmetry (1/2,0,1/2)], one cation unit (located in a general position) and one THF solvent molecule in the asymmetric unit. The crystal structure consists of two-dimensional layers composed of parallel mixed chains, where pairs of cations alternate with single anions. These layers are separated by sheets of anions and THF molecules.

  DOI：

  10.1107/s0108270106018191