Synthesis and crystal structure of mu-oxo-bis[(octaethyloxoporphinato)iron(III)] tetrafluoroborate

Khorasani-Motlagh M; Safari N; Khavasi HR; Noroozifar M; Shahroosvand H; Biabani M

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Synthesis and crystal structure of mu-oxo-bis[(octaethyloxoporphinato)iron(III)] tetrafluoroborate

机译：mu-氧代双[（八乙基氧代卟啉）铁（III）]四氟硼酸酯的合成和晶体结构

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Exposure of dichloromethane solution of [OEOPFe(BF4)], where OEOP is the monoanion of octaethyloxoporphyrin, to dioxygen results in its transformation into the mu-oxo bridged compound, [(OEOPFe)(2)O)](BF4)(2). The molecular structure of the title compound, [(OEOPFe)(2)O](BF4)(2), was determined by single-crystal X-ray diffraction. It contains a binuclear centrosymmetric [(OEOPFe)(2)O](2+) cation (the bridging O atom lies on an inversion centre) and two tetrafluoroborate anions. The Fe atom is five-coordinate to four N atoms of the porphyrin ring and to one bridging O atom. The compound is characterized by an average Fe-N bond length of 2.064 angstrom. The Fe-O bond distance is 1.7665(11) angstrom and the Fe-O-Fe bond angle is 180.0 angstrom and the two porphyrin rings are parallel. Crystal data: crystal system, monoclinic, a = 8.867(3), b = 26.104(9), c = 15.748(6) angstrom, beta = 105.40(3)angstrom, space group, P2(1)/c, V = 3514(2) angstrom(3), Z = 2.

机译：将[OEOPFe（BF4）]的二氯甲烷溶液（其中OEOP是八乙基氧卟啉的单阴离子）暴露于双氧中，导致其转化为多氧桥化合物[（OEOPFe）（2）O）]（BF4）（2）。通过单晶X射线衍射确定标题化合物[（OEOPFe）（2）O]（BF4）（2）的分子结构。它包含一个双核中心对称的[（OEOPFe）（2）O]（2+）阳离子（桥接的O原子位于一个反转中心）和两个四氟硼酸根阴离子。 Fe原子与卟啉环的四个N原子和一个桥连的O原子具有五个坐标。该化合物的特征在于平均Fe-N键长为2.064埃。 Fe-O键距离为1.7665（11）埃，Fe-O-Fe键角为180.0埃，两个卟啉环平行。晶体数据：晶体系统，单斜晶，a = 8.867（3），b = 26.104（9），c = 15.748（6）埃，beta = 105.40（3）埃，空间群，P2（1）/ c，V = 3514（2）埃（3），Z = 2

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来源
《Journal of chemical crystallography》 |2007年第7期|共5页
作者
Khorasani-Motlagh M; Safari N; Khavasi HR; Noroozifar M; Shahroosvand H; Biabani M;
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正文语种 eng
中图分类晶体学;
关键词
verdoheme; tetrafluoroborate anions; mu-oxo bridged compound; octaethyloxoporphyrin; VERDOHEME ANALOGS; COUPLED OXIDATION; HEME DEGRADATION; IRON COMPLEXES; OCTAETHYLOXOPORPHYRIN; OCTAETHYLOXOPHLORIN; PORPHYRINS; STATE;

机译：Verdoheme;四氟硼酸根阴离子;μ-氧代桥联化合物;八乙基氧杂卟啉;VERDOHEME类似物;偶联氧化;血红素降解;铁络合物;正丙基氧杂卟啉;正丁基氧杂卟啉;卟啉;状态;

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Synthesis and crystal structure of mu-oxo-bis[(octaethyloxoporphinato)iron(III)] tetrafluoroborate

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