（穴醚-222）钾（2-甲基咪唑基）（内消旋-四苯基卟吩基）铁（II）-2-甲基咪唑-四氢呋喃（1/1/2）的合成与表征
Synthesis and characterization of (cryptand-222)potassium (2-methylimidazolato)(meso-tetraphenylporphinato)ferrate(II)-2-methylimidazole-tetrahydrofuran (1/1/2).
作者信息
Wu Qi, Yao Zhen, Li Jianfeng
机构信息
College of Materials Science and Opto-electronic Technology, University of Chinese Academy of Sciences, Yanqi Lake, Huairou District, Beijing, People's Republic of China.
出版信息
Acta Crystallogr C Struct Chem. 2017 Sep 1;73(Pt 9):688-691. doi: 10.1107/S2053229617009202. Epub 2017 Aug 8.
Metalloporphyrin complexes containing an additional imidazole ligand can provide information about the effect of deprotonation or hydrogen bonding on the axial histidine unit in heme proteins. The title high-spin five-coordinate imidazolate-ligated iron(II) porphyrinate, [K(CHNO)][Fe(CHN)(CHN)]·CHN·2CHO, has been synthesized and investigated. The solvated salt crystallizes with one 2-methylimidazole molecule, two tetrahydrofuran solvent molecules and a potassium cation chelated inside a cryptand-222 (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane) molecule. The imidazolate ligand is ordered. The average Fe-Np (Np is a porphyrin N atom) bond length is 2.113 (11) Å and the axial Fe-N (N is an imidazolate N atom) is 2.0739 (13) Å. The out-of-plane displacement of the Fe atom from the 24-atom mean plane is 0.6098 (5) Å, indicating an apparent doming of the porphyrin core.
含有额外咪唑配体的金属卟啉配合物能够提供有关去质子化或氢键作用对血红素蛋白中轴向组氨酸单元影响的信息。已合成并研究了标题化合物——高自旋五配位咪唑盐连接的铁（II）卟啉酸盐[K(CHNO)][Fe(CHN)(CHN)]·CHN·2CHO。该溶剂化盐与一个2-甲基咪唑分子、两个四氢呋喃溶剂分子以及一个螯合在穴状配体-222（4,7,13,16,21,24-六氧杂-1,10-二氮杂双环[8.8.8]二十六烷）分子内的钾阳离子一起结晶。咪唑盐配体呈有序排列。铁与卟啉氮原子（Np）的平均键长为2.113 (11) Å，轴向铁与氮原子（N，为咪唑盐氮原子）的键长为2.0739 (13) Å。铁原子相对于24原子平均平面的面外位移为0.6098 (5) Å，表明卟啉核心明显呈穹顶状。
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