[cadmium(II)tetraiodide](1,6-bis(pyridinium)hexane) | 1275620-84-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [cadmium(II)tetraiodide](1,6-bis(pyridinium)hexane)
• 英文别名: [CdI4](BPHX)
• CAS: 1275620-84-2
• 化学式: C₁₆H₂₂N₂*CdI₄
• 分子量: 862.392
• InChiKey: MFNKAMGFKDHHMI-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -9.46
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  7.76
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1,6-bis(pyridinio)hexane dibromide 、 potassium iodide 、 cadmium(II) iodide 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以64%的产率得到[cadmium(II)tetraiodide](1,6-bis(pyridinium)hexane)
  参考文献：
  名称：

  Syntheses, Crystal Structures, and Fluorescent Properties of Two Cation-induced Complexes: [(CdI₄)(BPHX)] and [(Ag₂I₄)(BPHX)]

  摘要：

  In this article, the solution-phase reaction of metal iodides with BPHX yields two novel organic-inorganic hybrid mental iodides [(CdI4)(BPHX)] and [(Ag2I4)(BPHX)] (BPHX = 1, 6-bis(pyridinium)hexane dication), which are characterized by X-ray crystallography and IR spectroscopy. The title mononuclear compound 1 crystallizes in monoclinic, space group P2(1)/c with a = 9.7050(17) angstrom, b = 15.426(3)angstrom, c = 15.992(3) angstrom, = 90, = 105.653(4), = 90. Compound 2 crystallizes in orthorhombic, space group Fddd with a = 13.8931(10) angstrom, b = 22.2368(16) angstrom, c = 31.330(3) angstrom, = 90, = 90, = 90. In the anion, each monovalent Ag atom is tetrahedrally coordinated by four 2-I atom ligands to constitute an infinite 1D (Ag2I2-4) anion chain with the organic dication BPHX ([C16H22N2]2+) trapped in it.

  DOI：

  10.1080/15533174.2010.538020