[1,2-bis(diphenylphosphino)ethane](η5-cyclopentadienyl)(4-nitrobenzonitrile)iron(II) iodide | 942602-85-9

• 英文名称: [1,2-bis(diphenylphosphino)ethane](η5-cyclopentadienyl)(4-nitrobenzonitrile)iron(II) iodide
• CAS: 942602-85-9
• 化学式: C₃₈H₃₃FeN₂O₂P₂*I
• 分子量: 794.391
• InChiKey: FRNHBLVNJVUEBV-UHFFFAOYSA-M

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：

  [1,2-bis(diphenylphosphino)ethane](η5-cyclopentadienyl)iron(II) iodide 、 对硝基苯甲腈 以 二氯甲烷 为溶剂， 以70%的产率得到[1,2-bis(diphenylphosphino)ethane](η5-cyclopentadienyl)(4-nitrobenzonitrile)iron(II) iodide
  参考文献：
  名称：

  The effect of counter-ions on the supramolecular arrangement of (benzonitrile)[1,2-bis(diphenylphosphino)ethane](η⁵-cyclopentadienyl)iron(II) cations

  摘要：

  The title compound, [ 1,2- bis( diphenylphosphino) ethane]( eta(5)- cyclopentadienyl)( 4- nitrobenzonitrile) iron( II) iodide, [ Fe( eta(5)-C5H5)( C7H4N2O2)(C26H4P2)]I, crystallizes in the noncentrosymmetric space group Cc, which is a promising result for obtaining quadratic non- linear optical properties. However, the packing shows that the iodide counter- ion promotes the cancellation of almost all the dipoles, resulting in a supramolecular motif of cationic chains aligned in opposite directions making an angle of 35.2 degrees. The use of PF6-. as counter- ion induces the crystallization of the complex in a centrosymmetric space group. These results show that the introduction of different counter- ions, of different size and geometry, allows speci c and directional intermolecular interactions that can determine the formation of a particular type of crystal packing.

  DOI：

  10.1107/s0108270106038662