pentakis[di-.mu-(diisopropylethanethiolato)nickel] | 252257-79-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: pentakis[di-.mu-(diisopropylethanethiolato)nickel]
• CAS: 252257-79-7
• 化学式: C₈₀H₁₈₀N₁₀Ni₅S₁₀
• 分子量: 1896.49
• InChiKey: NHCXTMUCCIZNAU-UHFFFAOYSA-D

计算性质

• 辛醇/水分配系数(LogP)：
  16.51
• 重原子数：
  105.0
• 可旋转键数：
  50.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.4
• 氢给体数：
  0.0
• 氢受体数：
  20.0

反应信息

• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 2-二异丙基氨基乙烷硫醇盐酸盐 在 KOH 作用下， 以 甲醇 、 乙醇 为溶剂， 以79%的产率得到pentakis[di-.mu-(diisopropylethanethiolato)nickel]
  参考文献：
  名称：

  A novel oligomerization versus metal chelation: synthesis and crystal structure of pentakis[di-μ-(diisopropylaminoethanethiolato)nickel]

  摘要：

  Reaction of nickel(II) ions with diisopropylaminoethanethiolate ligands has been found to be self-assembled in the solution to obtain an unexpected pentanuclear cluster of the title compound. Characterization of the product by single-crystal X-ray crystallography revealed that it consists of a homoleptic nickel thiolate with a pentagonal-prismatic sulfur framework. An efficient method of the data collection using area detectors has also been developed for the X-ray structure determination of polynuclear metal thiolates. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00263-7