[[(η5-Cp)Fe(η6-terephthalic acid)]*[(η5-Cp)Fe(η6-terephthalic acid(-1H))]][PF6] | 1164294-13-6

• 英文名称: [[(η5-Cp)Fe(η6-terephthalic acid)]*[(η5-Cp)Fe(η6-terephthalic acid(-1H))]][PF6]
• CAS: 1164294-13-6
• 化学式: C₁₃H₁₀FeO₄*C₁₃H₁₁FeO₄*F₆P
• 分子量: 718.106
• InChiKey: UDLMHXIPKHDYPL-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  乙醇 、 cobalt(II) nitrate hexahydrate 、 [[(η5-Cp)Fe(η6-terephthalic acid)]*[(η5-Cp)Fe(η6-terephthalic acid(-1H))]][PF6] 在 (C₂H₅)3N 作用下， 以 乙醇 、 水 为溶剂， 以26%的产率得到[Co3[(η5-Cp)Fe(η6-terephthalic acid(-2H))]4(H2O)2(μ-H2O)2][NO3]2*4(ethanol) [Co3((C5H5)Fe(C6H4(CO2)2))4(H2O)4](NO3)2*4C2H5OH, α, orthorhombic
  参考文献：
  名称：

  Polymorphism and Inclusion Properties of Three-Dimensional Metal-Organometallic Frameworks Derived from a Terephthalate Sandwich Compound

  摘要：

  An organometallic sandwich compound of terephthalic acid, namely, [(eta(5)-Cp)Fe-II{eta(6)center dot(1,4-C6H4(COOH)(2))}](+) (H(2)1(+)), is reported, along with X-ray single crystal structures of [H1 center dot H(2)1][PF6] and H1. [H(2)1 center dot H1][PF6] was reacted with the nitrate salts of Co-II and Ni-II to yield a series of three-dimensional (3D) metal-organometallic framework (MOMF) materials of the composition [M-3(1)(4)(mu-H2O)(2)(H2O)(2)][NO3](2)center dot xsolvent (M = Co-II (2), Ni-II (3); xsolvent = 4EtOH, or 2DMF center dot 2H(2)O). These framework structures were shown by single crystal and powder x-ray diffraction to be polymorphic, possessing identical 3D body-centered tetragonal network topologies, but differing in the manner by which the [CpFe](+) groups are arranged within the two-dimensional, square grid sheets of the 3D networks. alpha-2-EtOH, beta-2-EtOH, alpha-3-EtOH, beta-2-DMF, and beta-3-DMF were thermally desolvated, giving rise to isolable apohosts of composition [M-3(1)(4)(mu-H2O)(2)(H2O)(2)][NO3](2) (M = Co-II (2), Ni-II (3)) that were shown by PXRD to possess different, as yet unknown, crystal structures. The desolvated apohosts were studied with respect to their ability to selectively reabsorb water and/or alcohols. They show a modest preference for the absorption of water and short chain, linear alcohols (< C4), with modest selectivity for 1-PrOH.

  DOI：

  10.1021/ic900816h
• 作为产物：
  描述：

  potassium permanganate 、 [(η⁶-p-xylene)(η⁵-cyclopentadienyl)iron(II)](hexafluorophosphate) 以 水 为溶剂， 以35%的产率得到[[(η5-Cp)Fe(η6-terephthalic acid)]*[(η5-Cp)Fe(η6-terephthalic acid(-1H))]][PF6]
  参考文献：
  名称：

  Polymorphism and Inclusion Properties of Three-Dimensional Metal-Organometallic Frameworks Derived from a Terephthalate Sandwich Compound

  摘要：

  An organometallic sandwich compound of terephthalic acid, namely, [(eta(5)-Cp)Fe-II{eta(6)center dot(1,4-C6H4(COOH)(2))}](+) (H(2)1(+)), is reported, along with X-ray single crystal structures of [H1 center dot H(2)1][PF6] and H1. [H(2)1 center dot H1][PF6] was reacted with the nitrate salts of Co-II and Ni-II to yield a series of three-dimensional (3D) metal-organometallic framework (MOMF) materials of the composition [M-3(1)(4)(mu-H2O)(2)(H2O)(2)][NO3](2)center dot xsolvent (M = Co-II (2), Ni-II (3); xsolvent = 4EtOH, or 2DMF center dot 2H(2)O). These framework structures were shown by single crystal and powder x-ray diffraction to be polymorphic, possessing identical 3D body-centered tetragonal network topologies, but differing in the manner by which the [CpFe](+) groups are arranged within the two-dimensional, square grid sheets of the 3D networks. alpha-2-EtOH, beta-2-EtOH, alpha-3-EtOH, beta-2-DMF, and beta-3-DMF were thermally desolvated, giving rise to isolable apohosts of composition [M-3(1)(4)(mu-H2O)(2)(H2O)(2)][NO3](2) (M = Co-II (2), Ni-II (3)) that were shown by PXRD to possess different, as yet unknown, crystal structures. The desolvated apohosts were studied with respect to their ability to selectively reabsorb water and/or alcohols. They show a modest preference for the absorption of water and short chain, linear alcohols (< C4), with modest selectivity for 1-PrOH.

  DOI：

  10.1021/ic900816h

文献信息

• A Cubic, 12-Connected, Microporous Metal−Organometallic Phosphate Framework Sustained by Truncated Tetrahedral Nodes
  作者：Sayon A. Kumalah Robinson、Marion-Vincent L. Mempin、Amy J. Cairns、K. Travis Holman

  DOI：10.1021/ja108894a

  日期：2011.2.16

  A rare example of a microporous metal-organic phosphate, [Co(12)(L)(6)(μ(3)-PO(4))(4)(μ(3)-F)(4)(μ-H(2)O)(6)][NO(3)](2) (1), is synthesized by the reaction of a [(η(5)-C(5)H(5))Fe(II)](+)-functionalized terephthalate ligand with Co(NO(3))(2)·6H(2)O and phosphate and fluoride ions generated from the in situ hydrolysis of hexafluorophosphate. 1 is a cubic, 12-connected, face-centered cubic framework

  微孔金属有机磷酸盐的一个罕见例子，[Co(12)(L)(6)(μ(3)-PO(4))(4)(μ(3)-F)(4)(μ- H(2)O)(6)][NO(3)](2) (1)，由 [(η(5)-C(5)H(5))Fe(II) 的反应合成](+)-功能化的对苯二甲酸酯配体与 Co(NO(3))(2)·6H(2)O 以及六氟磷酸盐原位水解产生的磷酸盐和氟离子。图 1 是一个立方体、12 个连接的面心立方框架，由前所未有的十二核截断四面体配位簇的线性连接维持。