Et4N[Pd(1,2-diphenylethene-1,2-dithiolate)2] | 42846-96-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Et4N[Pd(1,2-diphenylethene-1,2-dithiolate)2]
• CAS: 42846-96-8
• 化学式: C₈H₂₀N*C₂₈H₂₀PdS₄
• 分子量: 721.404
• InChiKey: XUZGCUIEPXSILA-OMJGMGMFSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  9.09
• 重原子数：
  42.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  bis(cyclopentadienyl)cobalt(III) hexafluorophosphate 、 Et4N[Pd(1,2-diphenylethene-1,2-dithiolate)2] 以 乙腈 为溶剂， 生成 cobaltocenium bis(cis-1,2-diphenylethene-1,2-dithiolato)palladate(1-)
  参考文献：
  名称：

  Charge-transfer salt of bis(cis-1,2-diphenylethene-1,2-dithiolato)palladate(1 –) with cobaltocenium, and neutral bis(cis-1,2-diphenylethene-1,2-dithiolato)palladium

  摘要：

  The crystal structure of the charge-transfer salt cobalto-cenium bis(cis-1,2-diphenylethene-1,2-dithiolatato)palladate(1-), [CO(C5H5)(2)][Pd{S2C2(C6H5)(2)}(2)], consists of linear -D(+)A(-)D(+)A(-)D(+)A(-)- chains. The [Co(C5H5)(2)](+) cation adopts an approximately eclipsed D-5h configuration. The stereochemistry of the [Pd{S2C2(C6H5)(2)}(2)](-) anion is largely similar to that of the neutral molecule, bis(cis-1,2-diphenylethene-1,2-dithiolato)palladium, [Pd-{S2C2(C6H5)(2)}(2)], the structure of which has also been determined; however, the Pd atom of the former has a distorted square-planar environment, while the PdS4 chromophore of the latter is strictly planar. Furthermore, the former has longer Pd-S and S-C distances, and shorter C-C distances (in the chelate rings) than the latter.

  DOI：

  10.1107/s0108270199004564