[Ni4(2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine)2(NO3)8] C66H48N32Ni4O24, monoclinic | 940298-79-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [Ni4(2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine)2(NO3)8] C66H48N32Ni4O24, monoclinic
• 英文别名: [Ni4(2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine)2(NO3)8]；[Ni4(2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine)2(NO3)8] C66H48N32Ni4O24, triclinic
• CAS: 940298-79-3
• 化学式: C₆₆H₄₈N₃₂Ni₄O₂₄
• 分子量: 1908.07
• InChiKey: YJNKWFCQSHNOTD-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

• 作为反应物：
  描述：

  [Ni4(2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine)2(NO3)8] C66H48N32Ni4O24, monoclinic 、 水 以 neat (no solvent) 为溶剂， 生成 [Ni4(2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine)2(NO3)8(H2O)4]*8H2O
  参考文献：
  名称：

  Rich Pseudopolymorphic Behavior of the Tetranuclear [Ni₄(dpyatriz)₂(NO₃)₈] Complex

  摘要：

  Reaction of nickel(II) nitrate with the dpyatriz ligand, namely 2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine, in acetonitrile produces a tetranuclear Ni-II coordination compound, [Ni-4(dpyatriz)(2)(NO3)(8)(CH3CN)(2)(H2O)(2)]center dot 2CH(3)CN (1), the crystal structure of which has been determined by X-ray diffraction using a synchrotron source. 1 has been characterized by IR and UV-vis spectroscopy, elemental and thermogravimetric analyses, and magnetic susceptibility measurements. Its solid-state structure exhibits remarkable anion center dot center dot center dot pi interactions between coordinated nitrate ions and the triazine rings. In addition, a thorough X-ray powder diffraction study has revealed a number of pseudopolymorphic phases (2-5), resulting from various degrees of hydration/solvation of the [Ni-4(dpyatriz)(2)] core. The interconversion scheme among the different phases has been determined using controlled heating, and the basic structural features of the different pseudopolymorphs have been assessed through ab initio powder diffraction methods.

  DOI：

  10.1021/ic0702015
• 作为产物：
  描述：

  [Ni4(2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine)2(NO3)8(H2O)4]*8H2O 以 neat (no solvent) 为溶剂， 生成 [Ni4(2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine)2(NO3)8] C66H48N32Ni4O24, monoclinic
  参考文献：
  名称：

  Rich Pseudopolymorphic Behavior of the Tetranuclear [Ni₄(dpyatriz)₂(NO₃)₈] Complex

  摘要：

  Reaction of nickel(II) nitrate with the dpyatriz ligand, namely 2,4,6-tris(bis(pyridin-2-yl)amino)-1,3,5-triazine, in acetonitrile produces a tetranuclear Ni-II coordination compound, [Ni-4(dpyatriz)(2)(NO3)(8)(CH3CN)(2)(H2O)(2)]center dot 2CH(3)CN (1), the crystal structure of which has been determined by X-ray diffraction using a synchrotron source. 1 has been characterized by IR and UV-vis spectroscopy, elemental and thermogravimetric analyses, and magnetic susceptibility measurements. Its solid-state structure exhibits remarkable anion center dot center dot center dot pi interactions between coordinated nitrate ions and the triazine rings. In addition, a thorough X-ray powder diffraction study has revealed a number of pseudopolymorphic phases (2-5), resulting from various degrees of hydration/solvation of the [Ni-4(dpyatriz)(2)] core. The interconversion scheme among the different phases has been determined using controlled heating, and the basic structural features of the different pseudopolymorphs have been assessed through ab initio powder diffraction methods.

  DOI：

  10.1021/ic0702015