di(trifluoroacetato-O)(H2O-O)(η6-hexamethylbenzene)ruthenium(II) | 900167-21-7

• 英文名称: di(trifluoroacetato-O)(H2O-O)(η6-hexamethylbenzene)ruthenium(II)
• 英文别名: [bis(trifluoroacetato)-(η-hexamethylbenzene)-ruthenium] hydrate
• CAS: 900167-21-7；90721-10-1
• 化学式: C₁₆H₂₀F₆O₅Ru
• 分子量: 507.392
• InChiKey: BVWDQKCANYUWBZ-UHFFFAOYSA-L

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：

  di(trifluoroacetato-O)(H2O-O)(η6-hexamethylbenzene)ruthenium(II) 以 异丙醇 为溶剂， 生成 bis(μ-trifluoroacetato)(μ-hydrido)bis(η-hexamethylbenzene)diruthenium(II) hydrogenbis(trifluoroacetate) monohydrate
  参考文献：
  名称：

  Bennett, Martin A.; Ennett, James P., Organometallics, 1984, vol. 3, # 9, p. 1365 - 1374

  摘要：

  DOI：
• 作为产物：
  描述：

  、 三氟乙酸 以 neat (no solvent) 为溶剂， 以63%的产率得到di(trifluoroacetato-O)(H2O-O)(η6-hexamethylbenzene)ruthenium(II)
  参考文献：
  名称：

  Tocher, Derek A.; Could Robert O.; Stephenson, T. Anthony, Journal of the Chemical Society, Dalton Transactions

  摘要：

  DOI：

文献信息

• Crystal Structures and Characterizations of (Nitrato-O)(Nitrato-O,O′)(η⁶-Hexamethylbenzene)Ruthenium(II) and Di(Trifluoroacetato-O)(H₂O-O)(η⁶-Hexamethylbenzene) Ruthenium(II)
  作者：Xiu Lian Lu、Weng Kee Leong、Lai Yoong Goh、Tzi Sum Andy Hor、Jagadese J. Vittal

  DOI：10.1080/15533170500360164

  日期：2005.12.1

  The title complexes [(HMB)Ru(NO3)(2)] (HMB = eta(6)-C6Me6) (1) and [(HMB)Ru(O2CCF3)(2)(H2O)] (2) were spectroscopically characterized and their structures were determined by single-crystal diffraction analysis. In both compounds, the Ru atom is eta(6)-coordinated to a hexamethylbenzene ring and three oxygen donor atoms in a "three-legged piano stool" arrangement. In the asymmetric unit of 1, ruthenium atom is coordinated to two nitrato ligands, one of which is eta(1)-O coordinated and the second bidentate via both oxygen atoms; while in the symmetric unit of 2, two disordered trifluoroacetate ligands are monodentate, symmetrically bound to the ruthenium atom, and the pseudo-octahedral geometry is completed by an oxygen atom from a H2O molecule, which is hydrogen-bonded to both acetate ligands.