{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 4)"],"submitter":["Dhifet M"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["m460-1"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099838"],"repository":["biostudies-literature"],"pubmed_title":["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."],"pmcid":["PMC3099838"],"pubmed_authors":["Daran JC","Nasri H","Dhifet M","Belkhiria MS"],"additional_accession":[]},"is_claimable":false,"name":"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.","description":"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.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Apr","modification":"2025-04-04T23:26:41.41Z","creation":"2019-03-26T23:59:22Z"},"accession":"S-EPMC3099838","cross_references":{"pubmed":["21753977"],"doi":["10.1107/S1600536811009299"]}}