4-phenyl-1H-imidazolium hexa-μ2-chloro-chloro-μ4-oxo-tris(4-phenyl-1H-imidazole-κN1)tetracopper(II) monohydrate | 927691-67-6

• 英文名称: 4-phenyl-1H-imidazolium hexa-μ2-chloro-chloro-μ4-oxo-tris(4-phenyl-1H-imidazole-κN1)tetracopper(II) monohydrate
• CAS: 927691-67-6
• 化学式: C₉H₉N₂*C₂₇H₂₄Cl₇Cu₄N₆O*H₂O
• 分子量: 1114.08
• InChiKey: AQAYWHUHLBGIQT-UHFFFAOYSA-H

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：

  4-苯基咪唑 、 水 、 copper dichloride 以 甲醇 为溶剂， 生成 4-phenyl-1H-imidazolium hexa-μ2-chloro-chloro-μ4-oxo-tris(4-phenyl-1H-imidazole-κN1)tetracopper(II) monohydrate
  参考文献：
  名称：

  Three oxo complexes with a tetranuclear [Cu₄(μ₂-Cl)₆(μ₄-O)] unit

  摘要：

  The three title compounds, namely 4-phenyl-1H-imidazolium hexa-mu(2)-chloro-chloro-mu(4)-oxo-tris(4-phenyl-1H-imidazole-kappa N-1)tetracopper(II) monohydrate, (C9H9N2)[Cu4Cl7O(C9H8N2)(3)]center dot H2O, hexa-mu(2)-chloro-mu(4)-oxo-tetrakis(pyridine N-oxide-kappa O) tetracopper(II), [Cu4Cl6O(C5H5NO)(4)], and hexa-mu(2)-chloro-tetrakis(2-methyl-1H-imidazole-kappa N-1)-mu(4)-oxo-tetracopper(II) methanol trisolvate, [Cu4Cl6O(C4H6N2)(4)]center dot 3CH(4)O, exhibit the same Cu4OCl6 framework, where the O atom at the centre of an almost regular tetrahedron bridges four copper cations at the corners. This group is in turn surrounded by a Cl-6 octahedron, leading to a rather globular species. This special arrangement of the Cu-II cations results in a diversity of magnetic behaviours.

  DOI：

  10.1107/s0108270106021354