Communication: : The First Well Characterized Fe (phen) Cl₃ Complex : Structure of Aquo Mono(1,10-phenanthroline) Iron (III) Trichloride : [Fe (phen) Cl₃ (H₂O)]
The crystal structure of the neutralpseudo-octahedral mono phenanthroline iron (III) complex Fe (phen) Cl3H2O is reported which surprisingly is the first well-characterized Fe (phen) Cl3 complex (space group P1̄ a = 10224 (4) d b = 10603 (3) d c = 6628 (2) d alpha 10070 (2) °β = 10817 (2) °γ = 9206 (2) ° R = Rw = 0033) Of the three unidentate chloride ions two are coplanar with phenanthroline ligand while the third is out of plane and is trans to the water molecule The metal environment is distorted from regular octahedral due to the non-equivalent ligand donor set The N-Fe-N bite angle of 756° is compressed below right-angular with a corresponding opening of the other bond angles around the iron in this plane The Fe - Cl bonds are inequivalentranging from 225 to 235 d the axial Fe - Cl bond being elongated The axial aquo group is tilted towards the phenanthroline ringmaking an angle of 838° with N (1) and 818° with N (2) respectively Comparison with the Mn (III) analog yields the effect of changing from a high spin d 5 to a high spin d 4 center III) phenanthroline DNA intercalator.
P. Kulkarni et al., "Communication: : The First Well Characterized Fe (phen) Cl₃ Complex : Structure of Aquo Mono(1,10-phenanthroline) Iron (III) Trichloride : [Fe (phen) Cl₃ (H₂O)]," Polyhedron, Elsevier, Jan 1998.
The definitive version is available at http://dx.doi.org/10.1016/S0277-5387(97)00515-9
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