Xu Nan, Powell Douglas R, Richter-Addo George B
Department of Chemistry and Biochemistry, University of Oklahoma, 101 Stephenson Pkwy, Norman, OK 73019, USA.
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 4;69(Pt 10):m530-1. doi: 10.1107/S1600536813021880. eCollection 2013.
The title compound, [Fe(C6HF4O)(C48H36N4O4)]·C6H12, represents a five-coordinate iron(III) porphyrin complex in a square-pyramidal geometry with a tetra-fluoro-phenolate anion as the axial ligand. The Fe(III) atom is displaced by 0.364 (2) Å from the 24-atom mean plane of the porphyrinate ring towards the tetra-fluoro phenolate anion. The average Fe-N distance is 2.053 (2) Å and the Fe-O distance is 1.883 (2) Å. A porphyrin aryl H atom points in the general direction of the phenoxide ring. The mean plane separation between the 24-atom porphyrin planes of two adjacent porphyrin rings is ∼3.7 Å, and the lateral shift is ∼3.5 Å resu, ting in an Fe⋯Fe separation of 5.6167 (14) Å.
标题化合物[Fe(C₆HF₄O)(C₄₈H₃₆N₄O₄)]·C₆H₁₂是一种五配位铁(III)卟啉配合物，具有四方锥几何构型，其中四氟苯酚盐阴离子作为轴向配体。Fe(III)原子从卟啉环的24原子平均平面朝着四氟苯酚盐阴离子位移了0.364 (2) Å。平均Fe-N距离为2.053 (2) Å，Fe-O距离为1.883 (2) Å。一个卟啉芳基H原子指向苯氧环的大致方向。两个相邻卟啉环的24原子卟啉平面之间的平均平面间距约为3.7 Å，横向位移约为3.5 Å，导致Fe⋯Fe间距为5.6167 (14) Å。
