Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands

Structural characterization of the ionic complexes [FeCl 2 (C 26 H 22 P 2 ) 2 ][FeCl 4 ]·0.59CH 2 Cl 2 or [(dppen) 2 FeCl 2 ][FeCl 4 ]·0.59CH 2 Cl 2 (dppen = cis -1,2-bis(diphenylphosphane)ethylene, P 2 C 26 H 22 ) and [FeCl 2 (C 30 H 24 P 2 ) 2 ][FeCl 4 ]·CH 2 Cl 2 or [(dpbz) 2 FeCl 2 ][FeCl 4 ]·CH 2 Cl 2 (dpbz = 1,2-bis(diphenylphosphane)benzene, P 2 C 30 H 24 ) demonstrates trans coordination of two bidentate phosphane ligands (bisphosphanes) to a single iron(III) center, resulting in six-coordinate cationic complexes that are balanced in charge by tetrachloridoferrate(III) monoanions. The trans bisphosphane coordination is consistent will all previously reported molecular structures of six coordinate iron(III) complex cations with a (PP) 2 X 2 ( X = halido) donor set. The complex with dppen crystallizes in the centrosymmetric space group C 2/ c as a partial-occupancy [0.592 (4)] dichloromethane solvate, while the dpbz-ligated complex crystallizes in the triclinic space group P 1 as a full dichloromethane monosolvate. Furthermore, the crystal studied of [(dpbz) 2 FeCl 2 ][FeCl 4 ]·CH 2 Cl 2 was an inversion twin, whose component mass ratio refined to 0.76 (3):0.24 (3). Beyond a few very weak C—H...Cl and C—H...π interactions, there are no significant supramolecular features in either structure.

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