aquabis(isothiocyanato)(18-crown-6)lead(II)(isothiocyanato)(18-crown-6)(nitrato-O,O')lead(II) | 1240557-47-4

• 英文名称: aquabis(isothiocyanato)(18-crown-6)lead(II)(isothiocyanato)(18-crown-6)(nitrato-O,O')lead(II)
• CAS: 1240557-47-4
• 化学式: C₁₃H₂₄N₂O₉PbS*C₁₄H₂₆N₂O₇PbS₂
• 分子量: 1197.31
• InChiKey: BFNNXPGALSBXIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  lead(II) nitrate 、 18-冠醚-6 、 水 、 potassium thioacyanate 以 乙醇 、 水 为溶剂， 生成 aquabis(isothiocyanato)(18-crown-6)lead(II)(isothiocyanato)(18-crown-6)(nitrato-O,O')lead(II)
  参考文献：
  名称：

  Synthesis and crystal structure of aquabis(isothiocyanato)(18-crown-6)lead(II)(isothiocyanato)-(18-crown-6)(nitrato-O,O′)lead(II)

  摘要：

  A new mixed complex compound, aquabis(isothiocyanato)(18-crown-6)lead(II)(isothiocyanato)-(18-crown-6)(nitrato-O,O')lead(II) [Pb(NCS)(2)(18-crown-6)(H2O)][Pb(NCS)(NO3)(18-crown-6)] is prepared, and its crystal structure is studied by XRD analysis. The structure was solved by the direct method and was refined by full-matrix least-squares method in anisotropic approximation to R = 0.044 for all 3648 measured independent reflexes (automatic diffractometr CAD-4, lambda MoK alpha). This crystal structure contains two symmetrically independent halves of the two individual and differing in type complex "guest-host" molecules. One of them (with the H2O ligand molecule) is located on the crystallographic axis 2, and the other is located around the crystallographic inversion center and is statistically disordered relative to this center (except for its crown-ligand).

  DOI：

  10.1134/s1070363209080039