[(2,3-dioxo-5,6:15,16-dibenzo-1,4,8,13-tetraazacyclohexadeca-7,13-diene)copper(II)] | 662115-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [(2,3-dioxo-5,6:15,16-dibenzo-1,4,8,13-tetraazacyclohexadeca-7,13-diene)copper(II)]
• CAS: 662115-93-7
• 化学式: C₂₀H₁₈CuN₄O₂
• 分子量: 409.935
• InChiKey: GWFYDWKVKXPTJG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  27.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  87.06
• 氢给体数：
  0.0
• 氢受体数：
  4.0

文献信息

• Syntheses, Structures and Magnetic Properties of Novel Oxamido‐Bridged Tetranuclear Complexes [Cu ₃ M] (M = Cu, Mn)
  作者：Shi‐bin Wang、Guang‐ming Yang、Rong‐fang Li、Yuan‐fang Wang、Dai‐zheng Liao

  DOI：10.1002/ejic.200400253

  日期：2004.12

  Three oxamido-bridged tetranuclear complexes with the formulae [(LCu)Cu(LCuSCN)2]·H2O (1), [(LCu)Mn(LCuSCN)2]·1.38CH3OH (2) and (LCu)Mn[LCuN(CN)2]2}·0.75DMF·0.25H2O (3) (where H2L = 2,3-dioxo-5,6:15,16-dibenzo-1,4,8,13-tetraazacylotetradeca-7,13-diene) have been prepared and characterised. Their structures were deduced using X-ray crystallography. All three complexes crystallise in the triclinic system

  三种草酰胺桥连四核配合物，其式为 [(LCu)Cu(LCuSCN)2]·H2O (1)、[(LCu)Mn(LCuSCN)2]·1.38CH3OH (2) 和 (LCu)Mn[LCuN( CN)2]2}·0.75DMF·0.25 (3)（其中H2L = 2,3-dioxo-5,6:15,16-dibenzo-1,4,8,13-tetraazacylotetradeca-7,13-diene ) 已经准备和表征。它们的结构是使用 X 射线晶体学推断出来的。所有三种配合物都在三斜晶系中结晶，空间群 P 。配位体的三个铜离子和中心金属离子（Cu、Mn）留在平面内，形成一个不等边三角形。三个铜离子占据顶点，M(Cu, Mn) 离子位于中心。已对这一系列配合物进行了 5-300 K 温度范围内的磁化率测量。实验数据已根据海森堡哈密顿量进行拟合，并导致复合物 1、2 和 3 的 J 值分别等于 -61
• [Cu(L)Mn(N₃)₂]<i>_n</i>:  The First Complex Containing Both Macrocyclic Oxamido and Alternate (μ-1,1 and μ-1,3) Azido Bridges
  作者：Shi-bin Wang、Guang-ming Yang、Dai-zheng Liao、Li

  DOI：10.1021/ic030085f

  日期：2004.2.1

  A wattle-type heteropolynuclear complex [(CuL)Mn(N-3)(2)](n) (1) (H2L = 2,3-dioxo-5,6:15,16-dibenzo-1,4,8,13-tetraazacyclo-pentadeca7,13-diene), which represents the first system with macrocyclic oxamido and alternate azido bridges, forming a one-dimensional chain structure, has been synthesized and characterized by a low temperature magnetic study. The chains are stacked with interchain hydrogen and lead to the structure of a three-dimensional network.
• Three trinuclear Cu–M–Cu (M=Co, Ni and Zn) complexes including macrocyclic oxamido bridge: Synthesis, structures and magnetic properties
  作者：Shi-bin Wang、Rong-fang Li、Guang-ming Yang、Dai-zheng Liao、Zong-hui Jiang、Shi-ping Yan

  DOI：10.1016/j.ica.2005.03.017

  日期：2005.6

  Based on the complex ligand (CuL H2L=2,3-dioxo-5,6:15,16-dibenzo-1,4,8,13-tetraazacyclotetradeca-7,13-diene), which includes macrocyclic oxamido bridge, three trinuclear complexes were prepared. They are of the formula [(CuL)(2)M(ClO4)(2)] (M = Co(1), Ni(2)) and [(CuL)(2)Zn(CH3OH)(2)]. (ClO4)(2) (3). The crystal structures of the three complexes have been determined and the M(H) of the three complexes all exist on the mirror plane. Complex 1 is the first Cu-Co complex bridged by oxamido. Their magnetic properties were studied by susceptibility versus temperature measurement, the best fitting of the experimental data led to J = -28.12 cm(-1) for 1, J = -42.88 cm(-1) for 2, and J = -2.13 cm(-1) for 3. (c) 2005 Elsevier B.V. All rights reserved.