Ni5(3-chlorobenzoate)2(2,6-diacetylpyridinedioxime(2-))2(2,6-diacetylpyridinedioxime(1-))2(dicyanamide)2(methanol)2 | 1329689-92-0

• 英文名称: Ni5(3-chlorobenzoate)2(2,6-diacetylpyridinedioxime(2-))2(2,6-diacetylpyridinedioxime(1-))2(dicyanamide)2(methanol)2
• 英文别名: Ni5(3-Cl-BzO)2(dapdo)2(dapdoH)2(N(CN)2)2(MeOH)2
• CAS: 1329689-92-0
• 化学式: C₅₆H₅₄Cl₂N₁₈Ni₅O₁₄
• 分子量: 1567.51
• InChiKey: BLEMRRLGUYNOMS-JFYQPERVSA-F

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：
  None
• 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：

  甲醇 、 2,6-diacetylpyridine dioxime 、 Ni(3-Cl-BzO)₂·3H₂O 、 sodium dicyanamide 在 N(CH₂CH₃)3 作用下， 以 甲醇 为溶剂， 生成 Ni5(3-chlorobenzoate)2(2,6-diacetylpyridinedioxime(2-))2(2,6-diacetylpyridinedioxime(1-))2(dicyanamide)2(methanol)2
  参考文献：
  名称：

  Ni₅, Ni₈, and Ni₁₀Clusters with 2,6-Diacetylpyridine-dioxime as a Ligand

  摘要：

  In the present work, novel coordination possibilities for the system dapdoH(2)/Ni-II (dapdoH(2) = 2,6-diacetylpyridinedioxime) have been explored. Depending on the starting reagents and solution conditions, several clusters with nudearities ranging from Ni-5 to Ni-10 were achieved and structurally characterized, namely, [Ni-5(R-COO)(2)(dapdo)(2)(dapdoH)(2)(N(CN)(2))(2)(MeOH)(2)] in which R-COO- = benzoate (1) or 3-chlorobenzoate (2), [Ni-8-(dapdo)(4)(NO3)(4)(OH)(4)(MeOH)(4)] (3), and [Ni-10(dapdo)(8)(N-(CN)(2))(2)(MeO)(MeOH)](NO3) (4). For the first time, pentadentate coordination for the dapdo(2-) ligand has been established. All compounds show a combination of square-planar and octahedrally coordinated nickel atoms. According to the Ni-2(sp)Ni-3(Oh) (1 and 2), Ni-4(sp)NI4(Oh) (3), and Ni-4(sp)Ni-6(Oh) (4) environments, these systems magnetically behave as trimer, tetramer, and hexanuclear dusters, respectively. dc magnetic measurements in the 2-300 K range of temperature reveal antiferromagnetic coupling for all compounds, and the correlation of the superexchange interaction with the torsion angles involving the oximato bridges is experimentally confirmed.

  DOI：

  10.1021/ic200895q