Abstract
The crystal structure of the title compound, bis-{μ-1,3-bis-[2-(di-phenyl-phosphan-yl)eth-yl]-1H-imidazole-κ2 P:P'}bis-[tri-chlorido-iron(III)], [Fe2Cl6(C31H31N2P2)2] or [{FeCl3}2(μ-PCHP)2] (PCHP = C31H31N2P2), consists of dinuclear complexes that are located about centres of inversion. The FeIII cation is in a distorted trigonal-bipyramidal coordination with three chloride ligands located in the trigonal plane and two P atoms of symmetry-related PCHP ligands occupying the axial positions. Within the centrosymmetric complex, a pair of intra-molecular C-H⋯Cl hydrogen bonds between aromatic CH groups and chloride ligands are found. Individual complexes are linked into layers parallel to (01) by inter-molecular C-H⋯Cl hydrogen bonds. No pronounced inter-molecular inter-actions occur between these layers. This arrangement leaves space for disordered solvent mol-ecules. Electron density associated with these additional solvent mol-ecules was removed with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18]. The given chemical formula and other crystal data do not take into account the unknown solvent mol-ecule(s).
Highlights
Chemical contextThe conversion of dinitrogen into ammonia is an interesting reaction in the area of bioinorganic chemistry
The crystal structure of the title compound, bis{-1,3-bis[2-(diphenylphosphanyl)ethyl]-1H-imidazole-2P:P0}bis[trichloridoiron(III)], [Fe2Cl6(C31H31N2P2)2] or [{FeCl3}2(-PCHP)2] (PCHP = C31H31N2P2), consists of dinuclear complexes that are located about centres of inversion
The FeIII cation is in a distorted trigonal–bipyramidal coordination with three chloride ligands located in the trigonal plane and two P atoms of symmetry-related PCHP ligands occupying the axial positions
Summary
The conversion of dinitrogen into ammonia is an interesting reaction in the area of bioinorganic chemistry. As a result of the strong -donor property of the central carbene unit, electron density is transferred to the central metal atom and to the N2 ligand (Gradert et al, 2015) In this way, the dinitrogen molecule coordinating to the iron(II) cation should be activated sufficiently in order to get protonated, which is the first step in the N2 ! NH3 conversion (Yandulov & Schrock, 2003; Del Castillo et al, 2016) In this context we are interested in the synthesis of iron dinitrogen complexes containing PCP pincer ligands. In comparison with the title compound, the Fe—Cl bond lengths in these complexes are significantly shorter (2.21 to 2.27 A ; Walker & Poli, 1989; Feng et al, 2017), confirming the oxidation state +2 of the iron cation in [{FeCl3}2(-PCHP)2]. There is an additional intramolecular contact between the H atom attached to C16 and Cl1, but at a much longer HÁ Á ÁCl distance (Table 2)
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