dichloro(1,4,7-trithiacyclodecane)palladium(II) | 176677-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: dichloro(1,4,7-trithiacyclodecane)palladium(II)
• 英文别名: palladium(2+);1,4,7-trithiecane;dichloride
• CAS: 176677-56-8
• 化学式: C₇H₁₄Cl₂PdS₃
• 分子量: 371.712
• InChiKey: PZEBDADFWDOXKF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,4,7-三硫杂环癸烷 、 palladium dichloride 以 乙腈 为溶剂， 生成 dichloro(1,4,7-trithiacyclodecane)palladium(II) 、 bis(1,4,7-trithiacyclodecane)palladium dichloride heptahydrate
  参考文献：
  名称：

  Palladium Complexes of 1,4,7-Trithiacyclodecane

  摘要：

  The 10S3 ligand in [Pd(10S3)Cl-2], dichloro(1,4,7-trithiacyclodecane)palladium(II), where 10S3 is 1,4,7-trithiacyclodecane, C7H14S3, forms a six-membered chelate ring in which the average length of the two equatorial Pd--S bonds is 2.264 (2) Angstrom and the weak axial Pd...S bond is 3.071 (2) Angstrom. The same ligand in bis(1,4,7-trithiacyclodecane)palladium dichloride heptahydrate, [Pd(10S3)2]Cl-2.7H(2)O, forms two five-membered chelate rings, in which the average length of the four equatorial Pd--S bonds is 2.310 (1) Angstrom and the length of the four equatorial Pd--S bonds is 2.310 (1) Angstrom and the length of the two weak axial Pd--S bonds is 3.051 (1) Angstrom.

  DOI：

  10.1107/s0108270193013769