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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >A moderate distortion of the `picket-fence' porphyrin (cryptand-222)potassium chlorido[meso-α,α,α,α-tetrakis(o-pivalamidophenyl)porphyrinato]ferrate(II) n-hexane monosolvate
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A moderate distortion of the `picket-fence' porphyrin (cryptand-222)potassium chlorido[meso-α,α,α,α-tetrakis(o-pivalamidophenyl)porphyrinato]ferrate(II) n-hexane monosolvate

机译：栅栏型卟啉（cryptand-222）氯化钾[间位-α，α，α，α-四（邻-新戊酰胺基苯基）卟啉对]高铁酸盐（II）正己烷单溶剂的适度变形

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摘要

As representative porphyrin model compounds, the structures of `picket-fence' porphyrins have been studied intensively. The title solvated complex salt {systematic name: (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(I) [5,10,15,20-tetrakis(2-tert-butanamidophenyl)porphyrinato]iron(II) n-hexane monosolvate}, [K(C18H36N2O6)][Fe(C64H64N8O4)Cl]·C6H14 or [K(222)][Fe(TpivPP)Cl]·C6H14 [222 is cryptand-222 or 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane, and TpivPP is meso-α,α,α,α-tetrakis(o-pivalamidophenyl)porphyrinate(2?)], [K(222)][Fe(TpivPP)Cl]·C6H14, is a five-coordinate high-spin iron(II) picket-fence porphyrin complex. It crystallizes with a potassium cation chelated inside a cryptand-222 molecule; the average K—O and K—N distances are 2.81?(2) and 3.05?(2)??, respectively. One of the protecting tert-butyl pickets is disordered. The porphyrin plane presents a moderately ruffled distortion, as suggested by the atomic displacements. The axial chloride ligand is located inside the molecular cavity on the hindered porphyrin side and the Fe—Cl bond is tilted slightly off the normal to the porphyrin plane by 4.1°. The out-of-plane displacement of the metal centre relative to the 24-atom mean plane (Δ24) is 0.62??, indicating a noticeable doming of the porphyrin core.
机译：作为代表性的卟啉模型化合物，对“栅栏”型卟啉的结构进行了深入研究。标题溶剂化的复合盐（系统名称：（4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo [8.8.8] hexacosane））钾（I）[5,10,15,20-四（2-叔丁酰胺基苯基）卟啉铁]（II）正己烷单溶剂化物}，[K（C18H36N2O6）] [Fe（C64H64N8O4）Cl]·C6H14或[K（222）] [Fe（TpivPP）Cl]·C6H14 [222是cryptand-222或4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo [8.8.8] hexacosane，而TpivPP是meso-α，α，α，α-tetrakis（o-新戊酰胺基苯基）卟啉酸酯（2′），[K（222）] [Fe（TpivPP）Cl]·C6H14，是一种五配位高自旋铁（II）栅栏卟啉配合物。它与在cryptand-222分子内部螯合的钾阳离子一起结晶。平均KO和KN距离分别为2.81Ω（2）和3.05Ω（2）Ω。保护性叔丁基纠察剂之一是无序的。如原子位移所表明的，卟啉平面呈现出适度的褶皱变形。轴向氯化物配体位于受阻卟啉侧的分子腔内部，Fe-Cl键稍微偏离卟啉平面的法线倾斜4.1°。金属中心相对于24个原子的平均平面的平面外位移（Δ24）为0.62θ，表明卟啉核有明显的隆起。

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