Crystal structure of bis­(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetra­phenyl­porphyrinato-κ4N)iron(II)–1-methyl-1H-imidazole (1/2)

Guan Y.; Powell D.R.; Richter-Addo G.B.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)–1-methyl-1H-imidazole (1/2)

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Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)–1-methyl-1H-imidazole (1/2)

机译：双（1-甲基-1H-咪唑-κN3）（5,10,15,20-四苯基卟啉-κ4N）铁（II）–1-甲基-1H-咪唑的晶体结构（1/2）

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The title compound, [Fe(C44H28N4)(C4H6N2)2]·2C4H6N2, is a six-coordinate FeII–porphyrinate complex with the metal located on a center of inversion and coordinated by two axial 1-methylimidazole ligands; the complex crystallizes as a 1-methylimidazole disolvate. The 1-methylimidazole group bonded to the FeII atom [occupancy ratio 0.789 (4):0.211 (4)] and the unbound 1-methylimidazole molecule [0.519 (4):0.481 (4)] were disordered. The average Fe—N(porphyrinate) bond length is 1.998 (3) Å and the axial Fe—N(imidazole) bond length is 1.9970 (12) Å. In the crystal, molecules are linked into a three-molecule aggregate by two weak C—H⋯N interactions.

机译：标题化合物[Fe（C44H28N4）（C4H6N2）2] 2C4H6N2是六配位的FeII-卟啉酸酯配合物，金属位于反转中心，并由两个轴向的1-甲基咪唑配体配位;该配合物结晶为1-甲基咪唑二溶剂化物。与FeII原子键合的1-甲基咪唑基[占有率0.789（4）：0.211（4）]和未结合的1-甲基咪唑分子[0.519（4）：0.481（4）]无序。 Fe-N（卟啉）键平均长度为1.998 1.（3）Å，轴向Fe-N（咪唑）键长度为1.9970（12）Å。在晶体中，分子通过两次弱的CHN相互作用连接成三分子聚集体。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第3期|共页
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Guan Y.; Powell D.R.; Richter-Addo G.B.;
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中图分类晶体学;
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CRYSTAL STRUCTUREMODEL PORPHYRINSFEII COMPLEX;

机译：晶体结构模型卟啉复合体;

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机译：双（1-甲基-1H-咪唑-κN3）（5,10,15,20-四苯基卟啉-κ4N）铁（II）–1-甲基-1H-咪唑的晶体结构（1/2）
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机译：双（1-甲基-1H-咪唑-κN3）（5,10,15,20-四苯基卟啉-κ4N）铁（II）-1-甲基-1H-咪唑（1/2）的晶体结构

Crystal structure of bis­(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetra­phenyl­porphyrinato-κ4N)iron(II)–1-methyl-1H-imidazole (1/2)

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Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)–1-methyl-1H-imidazole (1/2)