[Fe(1,1'-bis(4-pyridinyl)ferrocene]2Zn(II)2Cl4 complex | 459142-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Fe(1,1'-bis(4-pyridinyl)ferrocene]2Zn(II)2Cl4 complex
• 英文别名: [Fe(η5-C5H4-1-C5H4N)2]2Zn(II)2Cl4 complex；[Fe(η5-C5H4-1-C5H4N)2]2Zn(II)2Cl4；dizinc;4-cyclopenta-2,4-dien-1-ylpyridine;iron(2+);tetrachloride
• CAS: 459142-97-3
• 化学式: C₄₀H₃₂Cl₄Fe₂N₄Zn₂
• 分子量: 953.007
• InChiKey: LDGAFMXSINBQQP-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -2.12
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1,1'-bis(4-pyridinyl)ferrocene 、 zinc(II) chloride 以 甲醇 、 苯 为溶剂， 以70%的产率得到[Fe(1,1'-bis(4-pyridinyl)ferrocene]2Zn(II)2Cl4 complex
  参考文献：
  名称：

  Novel hetero-bimetallic metalla-macrocycles based on the bis-1-pyridyl ferrocene [Fe(η5-C5H4-1-C5H4N)2] ligand. Design, synthesis and structural characterization of the complexes [Fe(η5-C5H4-1-C5H4N)2](Agi)22+/(Cuii)24+/(Znii)24+

  摘要：

  双齿夹心配体[Fe(δ5-C5H4-1-C5H4N)2]已被制备、结构表征并用于制备新型超分子异双金属金属大环[Fe(δ5-C5H4-1-C5H4N) )2]Ag2(NO3)2·1.5H2O、[Fe(δ5-C5H4-1-C5H4N)2]Cu2(CH3COO)4·3H2O 和 [Fe(δ5-C5H4-1-C5H4N)2] Zn2Cl4。

  DOI：

  10.1039/b200344a

文献信息

• Design, Synthesis, and Structural Characterization of Molecular and Supramolecular Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(4-pyridyl)ferrocene (Fe(η⁵-C₅H₄-1-C₅H₄N)₂) Ligand
  作者：Dario Braga、Marco Polito、Daniela D'Addari、Emilio Tagliavini、Davide M. Proserpio、Fabrizia Grepioni、Jonathan W. Steed

  DOI：10.1021/om030432t

  日期：2003.10.1

  The bidentate ferrocenyl sandwich [Fe(eta(5)-C5H4-1-C5H4N)(2)] (1) has been used as a coordination ligand in reactions with AgNO3, Cd(NO3)(2), Cu(CH3COO)(2), Zn(CH3COO)(2), and ZnCl2 to obtain the heterobimetallic metallamacrocyclic derivatives [Fe(eta(5)-C5H4-1-C5H4N)(2)](2)Ag-2(NO3)(2).1.5H(2)O, [Fe(eta(5)-C5H4-1-C5H4N)(2)](2) Cu-2(CH3COO)(4).3H(2)O, [Fe(eta(5)-C5H4-1-C5H4N)(2)](2)Cd-2(NO3)(4).CH3OH.0.5C(6)H(6), [Fe(eta(5)-C5H4-1-C5H4N)(2)](2)Zn-2(CH3COO)(4), and [Fe(eta(5)-C5H4-1-C5H4N)(2)](2)Zn2Cl4 (abbreviated in the following as (1Ag(I))(2)(2+), (1Cd(II))(2)(4+), (1Cu(II))(2)(4+), (1Zn(acetate)(II))(2)(4+), and (1Zn(chloride)(II))(2)(4+)). The reaction with the ferrocenedicarboxylic acid complex [Fe(eta(5)-C5H4COOH)(2)] has led to the supramolecular adduct [Fe(eta(5)-C5H4-1-C5H4N)(2)] [Fe(eta(5)-C5H4COOH)(2)] (1[Fe(eta(5)-C5H4COOH)(2)]). All compounds have been structurally characterized by single-crystal X-ray diffraction.