tetraphenylphosphonium chlorobis(diethyldithiocarbamato-S,S')cadmium(II) | 176434-81-4

• 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: tetraphenylphosphonium chlorobis(diethyldithiocarbamato-S,S')cadmium(II)
• 英文别名: cadmium(2+);N,N-diethylcarbamodithioate;tetraphenylphosphanium;chloride
• CAS: 176434-81-4
• 化学式: C₁₀H₂₀CdClN₂S₄*C₂₄H₂₀P
• 分子量: 783.806
• InChiKey: LAKXDVUZSGNGFU-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  3.63
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  72.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  橡胶促进剂CED 、 四苯基氯化膦 以 丙酮 为溶剂， 以80%的产率得到tetraphenylphosphonium chlorobis(diethyldithiocarbamato-S,S')cadmium(II)
  参考文献：
  名称：

  The Five-Coordinate Cadmium Halide Bis(diethyldithiocarbamate) Complexes [PPh4][Cd(S2CNEt2)2Cl] and [PPh4][Cd(S2CNEt2)2Br]

  摘要：

  The title compounds, tetraphenylphosphonium chloro-bis(diethyldithiocarbamato-S,S)cadmium(II), (C24H20P) [CdCl(C5H10NS2)(2)], (1), and tetraphenylphosphonium bromobis(diethyldithiocarbamato-S,S)cadmium(II), (C-24 H20P)[CdBr(C5H10NS2)(2)], (2), are isomorphous. The compexes are mononuclear with coordination spheres of the types S4Cl and S4Br, respectively, The central Cd atom is linked to four S atoms and two bidentate dithiocarbamate ligands and to the halide atom. The resulting Cd-atom coordination geometry is halfway between trigonal bipyrimidal and square pyramidal. Principal dimensions include: Cd-S 2.573 (1)-2.682 (1) in (1) and 2.571 (3)-2.736 (2) Angstrom in (2); Cd-Cl and Cd-Br 2.462 (1) and 2.626 (1) Angstrom, respectively.

  DOI：

  10.1107/s0108270195013941