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Chlorido{5,10,15,20-tetra-kis-[2-(2,2-dimethyl-propanamido)-phen-yl]porphyrinato-?N,N',N'',N'''}iron(III) chloro-benzene hemisolvate monohydrate.

ABSTRACT: 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 mol-ecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered mol-ecules of chloro-benzene and water of solvation; the solvent mol-ecules were excluded from the refinement.

SUBMITTER: Dhifet M

PROVIDER: S-EPMC3099838 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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Chlorido{5,10,15,20-tetra-kis-[2-(2,2-dimethyl-propanamido)-phen-yl]porphyrinato-κN,N',N'',N'''}iron(III) chloro-benzene hemisolvate monohydrate.

Dhifet Mondher M Belkhiria Mohamed Salah MS Daran Jean-Claude JC Nasri Habib H

Acta crystallographica. Section E, Structure reports online 20110315 Pt 4

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 mol-ecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered mol-ecules of ...[more]

PMID: 21753977

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