bis(dihydrogen phosphato-O)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane-κ(4)N]nickel(II) monohydrate | 222725-29-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: bis(dihydrogen phosphato-O)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane-κ(4)N]nickel(II) monohydrate
• CAS: 222725-29-3
• 化学式: C₁₀H₂₈N₄NiO₈P₂*H₂O
• 分子量: 471.007
• InChiKey: JRDYNMDTNBOMAT-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为产物：
  描述：

  1,4,8,11-四氮杂环十四烷 、 磷酸 、 nickel(II) nitrate 以 水 为溶剂， 生成 bis(dihydrogen phosphato-O)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane-κ(4)N]nickel(II) monohydrate
  参考文献：
  名称：

  Bis(dihydrogen phosphato-O)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane-κ⁴N]nickel(II) monohydrate

  摘要：

  The Ni-II ion in the title compound, [Ni(H2PO4)(2)- (C10H24N4)]. H2O, is six-coordinate in a distorted square-bipyramidal environment. Four N atoms from the tetraaza-macrocycle are in a square-planar arrangement [average Ni-N distance = 2.071 (2) Angstrom] and two O atoms, one from each dihydrogen phosphate ion, are axial [average Ni-O distance = 2.144 (2) Angstrom]. The structure of the title complex forms a three-dimensional framework, which delimits intersecting b-axis and c-axis tunnels. Two types of hydrogen bonds, O-H ... O and N-H ... O, ensure the cohesion and stability of the molecular packing.

  DOI：

  10.1107/s0108270198014620