[Ni(diethylenetriamine)(μ1,5-dicyanamide)(H2O)][NO3] | 1004782-13-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: [Ni(diethylenetriamine)(μ1,5-dicyanamide)(H2O)][NO3]
• 英文别名: [Ni(μ1,5-dien)(H2O)][NO3]
• CAS: 1004782-13-1
• 化学式: C₆H₁₅N₆NiO*NO₃
• 分子量: 307.92
• InChiKey: VVXBJYMVCLQBBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  nickel(II) nitrate hexahydrate 、 水 、 sodium dicyanamide 、 二乙烯三胺 以 水 为溶剂， 以60%的产率得到[Ni(diethylenetriamine)(μ1,5-dicyanamide)(H2O)][NO3]
  参考文献：
  名称：

  Synthesis, X-ray crystal structure and magnetic study of a dicyanamido bridged 1D chain nickel(II) complex

  摘要：

  Reaction of Ni(NO3)(2) center dot 6H(2)O and sodium dicyanamide (Nadca) yields a 1D infinite chain complex {[Ni(dien)(mu(1,5)-dca)(H2O)](NO3)}(n) (1) (where then = diethylenetriamine). The coordination environment in complex 1 around the nickel(II) ions is distorted octahedron. Three nitrogen atoms of the ligand diethylenetriamine and an oxygen atom of H2O molecule constitute the four coordination sites of the basal plane of the octahedron. Of two axial positions of the octahedron, one position is occupied by the nitrogen atom of a mu(1,5)-dca anion the remaining coordination site is occupied by a nitrogen atom of another end-to-end bridging dca from an adjacent [Ni(dien)(mu(1,5)-dca)(H2O)] moiety, yielding 1D infinite chains which propagate parallel to crystallographic a-axis. No measurable magnetic interaction was evidenced through variable temperature magnetic susceptibility measurements (4-300 K). However, the magnetic susceptibility of the compound can be explained in terms of single-ion anisotropic model with zero-field splitting for nickel(II) ions. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.07.011