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Synthesis and crystal structure of bis-(tert-butyl isocyanide-κC)[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ4N]iron(II).

ABSTRACT: In the title compound, [FeII(C44H24Cl4N4)(C5H9N)2] or [FeII(TClPP)(t-BuNC)2] [where TClPP and t-BuNC are 5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinate and tert-butyl isocyanide ligands, respectively], the metal ion lies on an inversion center and is octa-hedrally coordinated by the N atoms of the porphyrin ring in the equatorial plane and by carbon atoms of the trans t-BuNC ligands in the axial sites. The Fe-N bond length of 2.0074 (14) Å suggests a low-spin complex (S = 0). The crystal packing of the title compound is sustained by C-H⋯Cl, C-H⋯N and C__H⋯Cg (Cg = the centroid of a pyrrole ring of the TClPP porphyrinate) inter-actions, leading to a three-dimensional network. The Hirshfeld surface (HS) analysis indicates that 61.4% of the inter-molecular inter-actions are from H⋯H contacts while other contributions are from C⋯H/H⋯C, O⋯H/H⋯O and N⋯H/H⋯N inter-actions, which comprise 21.3%, 13.3% and 3.6% of the HS, respectively.

SUBMITTER: Nasri S 

PROVIDER: S-EPMC10561214 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature

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Synthesis and crystal structure of bis-(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ<sup>4</sup><i>N</i>]iron(II).

Nasri Soumaya S  

Acta crystallographica. Section E, Crystallographic communications 20230926 Pt 10

In the title compound, [Fe<sup>II</sup>(C<sub>44</sub>H<sub>24</sub>Cl<sub>4</sub>N<sub>4</sub>)(C<sub>5</sub>H<sub>9</sub>N)<sub>2</sub>] or [Fe<sup>II</sup>(TClPP)(<i>t</i>-BuNC)<sub>2</sub>] [where TClPP and <i>t</i>-BuNC are 5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinate and <i>tert-</i>butyl isocyanide ligands, respectively], the metal ion lies on an inversion center and is octa-hedrally coordinated by the N atoms of the porphyrin ring in the equatorial plane and by carbon atoms of the  ...[more]

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