di-μ-chloro-bis[(diphenoxyphosphinite-κP)(diphenoxyphosphinito-κP)palladium(II)] | 28792-29-2

• 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: di-μ-chloro-bis[(diphenoxyphosphinite-κP)(diphenoxyphosphinito-κP)palladium(II)]
• 英文别名: diphenyl hydrogen phosphite;diphenyl phosphite;palladium(2+);dichloride
• CAS: 28792-29-2
• 化学式: C₄₈H₄₂Cl₂O₁₂P₄Pd₂
• 分子量: 1218.5
• InChiKey: UAKBTEIXXVEEPU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  68
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  160
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  PdCl2(COD) 、 diphenyl phosphite 以 苯 为溶剂， 生成 di-μ-chloro-bis[(diphenoxyphosphinite-κP)(diphenoxyphosphinito-κP)palladium(II)]
  参考文献：
  名称：

  A chloro-bridged dinuclear phosphinitopalladium complex, di-μ-chloro-bis[(diphenoxyphosphinite-κP)(diphenoxyphosphinito-κP)palladium(II)]

  摘要：

  The title compound, [Pd-2(C12H10O3P)(2)Cl-2(C12H11O3P)(2)], consists of a dinuclear mu-chloro-bridged palladium unit with two diphenoxy-phosphinite groups per Pd atom, linked together by a hydrogen bond. The asymmetric unit contains one half of the mol-ecule, with the other half generated by an inversion centre. The geometry around the P atoms may be described as distorted tetra-hedral. Adjacent mol-ecules of the complex are linked by weak C-HcO and C-HcCl hydrogen bonds. The structure is additionally stabilized by pi-pi stacking inter-actions between the aryl rings. These inter-actions form a herring-bone pattern in the crystal structure.

  DOI：

  10.1107/s0108270106034500

文献信息

• Nifant'ev, E. E.; Kukhareva, T. S.; Antipin, M. Yu., Journal of general chemistry of the USSR, 1982, vol. 52, p. 2413 - 2417
  作者：Nifant'ev, E. E.、Kukhareva, T. S.、Antipin, M. Yu.、Struchkov, Yu. T.

  DOI：——

  日期：——