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Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chlorobenzene hemisolvate monohydrate
In the title complex, [Fe(C(64)H(64)N(8)O(4))Cl]·0.5C(6)H(5)Cl·H(2)O, the equatorial iron–pyrrole N atom distance (Fe—N(p)) is 2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å. The iron cation is displaced by 0.420 (4) Å from the 24-atom mean plane of the porphyrin core. The asymmetric unit c...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099838/ https://www.ncbi.nlm.nih.gov/pubmed/21753977 http://dx.doi.org/10.1107/S1600536811009299 |
Sumario: | In the title complex, [Fe(C(64)H(64)N(8)O(4))Cl]·0.5C(6)H(5)Cl·H(2)O, the equatorial iron–pyrrole N atom distance (Fe—N(p)) is 2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å. The iron cation is displaced by 0.420 (4) Å from the 24-atom mean plane of the porphyrin core. The asymmetric unit contains a quarter of an [Fe(III)(C(64)H(64)N(8)O(4))Cl] complex molecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered molecules of chlorobenzene and water of solvation; the solvent molecules were excluded from the refinement. |
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