[Cu(1,4,8,12-tetraazacyclopentadecane)(H2O)]2[Cu(μ2-oxalate)2(ClO4)2] | 1147098-39-2

• 英文名称: [Cu(1,4,8,12-tetraazacyclopentadecane)(H2O)]2[Cu(μ2-oxalate)2(ClO4)2]
• 英文别名: [Cu(tacp)(H2O)]2[Cu(μ2-C2O4)2(ClO4)2]
• CAS: 1147098-39-2
• 化学式: C₂₆H₅₆Cl₂Cu₃N₈O₁₈
• 分子量: 1030.32
• InChiKey: AQUFTVRBMLIFPL-UHFFFAOYSA-H

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

• 作为产物：
  描述：

  1,4,8,12-四氮杂环十五烷 、 copper(II) perchlorate hexahydrate 、 水 、 sodium oxalate 以 水 为溶剂， 以87%的产率得到[Cu(1,4,8,12-tetraazacyclopentadecane)(H2O)]2[Cu(μ2-oxalate)2(ClO4)2]
  参考文献：
  名称：

  μ2-Oxalato-bridged tricopper(II) complex derived from 1,4,8,12-tetraazacyclopentadecane: Synthesis, structure and magnetic characterization

  摘要：

  A novel tricopper bridged oxalato complex with the structural formula [Cu(tacp)(H2O)](2)[Cu(mu(2)-C2O4)(2)(ClO4)(2)] (1) where tacp = 1,4,8,12-tetraazacyclopentadecane was synthesized. The complex was characterized by X-ray crystallography and by spectroscopic techniques (IR and visible). The magnetic properties were also measured at variable temperatures (300-2 K). In this compound each oxalate is acting as a bridging ligand between two Cu2+ ions, where two types of coordination modes are found for the oxalate: monodentate and bidentate fashions. The magnetic coupling between the Cu-Cu centers is very weak antiferromagnetic (the singlet-triplet energy coupling J = -0.9 cm(-1)) and is in full agreement with the structural results. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2008.01.019