amminehexa-μ2-chlorido-μ4-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II) | 1234955-51-1

• 英文名称: amminehexa-μ2-chlorido-μ4-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II)
• CAS: 1234955-51-1
• 化学式: C₁₅H₃₀Cl₆Cu₄N₁₀O
• 分子量: 833.372
• InChiKey: RVGXQGCJECMFRR-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：

  2,3,5,6-四氢-1H-咪唑并[1,2-a]咪唑 、 copper(l) chloride 以 四氢呋喃 为溶剂， 以47%的产率得到amminehexa-μ2-chlorido-μ4-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II)
  参考文献：
  名称：

  The neutral cluster amminehexa-μ₂-chlorido-μ₄-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II)

  摘要：

  The title compound, [Cu4Cl6O(C5H9N3)(3)(NH3)], is a neutral conformationally chiral cluster which crystallizes under the conditions described in this paper as a racemic conglomerate. It contains four Cu-II atoms in a tetrahedral coordination with a central O atom lying on a crystallographic threefold axis. Six chloride anions bridge the four Cu-II atoms. Three Cu-II atoms are bound by an N atom of a monodentate 1,4,6-triazabicyclo[3.3.0]oct-4-ene (Htbo) ligand and the remaining Cu-II atom is bound by a terminal ammine ligand. The geometry at each copper center is trigonal bipyramidal, produced by the bound N atom of Htbo or ammonia, the O atom in the axial position, and three chloride ions in the equatorial plane. The chloride anions form an octahedron about the oxygen center. The copper-ammonia bond lies along the crystallographic threefold axis, along which the molecules are packed in a polar head-to-tail fashion.

  DOI：

  10.1107/s0108270109015054