tetraammine(selenito-O,O')cobaltate(III) nitrate monohydrate | 271789-30-1

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物
• 英文名称: tetraammine(selenito-O,O')cobaltate(III) nitrate monohydrate
• 英文别名: tetrammine(trioxoselenato-O,O')cobalt(III) nitrate monohydrate；selenitotetrammine cobaltate(III) nitrate, monohydrate；azane;cobalt(3+);nitrate;selenite;hydrate
• CAS: 271789-30-1
• 化学式: CoH₁₂N₄O₃Se*H₂O*NO₃
• 分子量: 334.094
• InChiKey: CEHFVPIPRIQSST-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  131
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  ammonium carbonate 、 氨 、 硒脲酸 、 cobalt(II) nitrate 在 H₂O₂ 作用下， 以 水 为溶剂， 以63%的产率得到tetraammine(selenito-O,O')cobaltate(III) nitrate monohydrate
  参考文献：
  名称：

  Tetraammine(selenito-O,O′)cobaltate(III) nitrate monohydrate

  摘要：

  The title compound crystallizes as the monohydrate, [Co(SeO3)(NH3)(4)]NO3. H2O. The crystallographic mirror symmetry coincides with the molecular symmetry; the mirror plane passes through the cation, anion and water molecule. The CoN4O2 octahedron is distorted, with the selenito group acting as a bidentate ligand through two bridging O atoms to the cobalt. The coordinated Se-O distance is 1.742 (2) Angstrom, whereas the uncoordinated Se-O distance is 1.646 (3) Angstrom. A three-dimensional hydrogen-bonded network exists between [Co(SeO3)(NH3)(4)]NO3 and the water molecule. The nitrate anion and water molecule form open pores in the structure when hydrogen bonded to two neighboring [Co(SeO3)(NH3)(4)](+) cations. Selenium participates in two types of relatively close intermolecular interactions with neighboring charged species (Se ... N1 and Se ... O3), but does not participate in an interaction with a neighboring O2 atom, the nearest contact distance being 4.638 (3) Angstrom.

  DOI：

  10.1107/s010827010000127x