Crystal Structure of a Mononuclear Iron(II) Complex, Tris(1,10-phenanthroline-κ2N,N′)iron(II) Bis(hexafluoridophosphate)

Abstract

included in Table 1. The structure was solved by intrinsic phasing methods and expanded using Fourier techniques. The non-hydrogen atoms were refined anisotropically, and hydrogen atoms were refined using the riding model. The final cycle of a full-matrix least-squares refinement on F 2 was allowed to satisfactory converge with mononuclear iron(II) complex, [Fe(phen) ][PF was synthesized, and characterized by a single-crystal X-ray method. The compound crystallized in the monoclinic space group C 2/ c and Z = 8 with cell parameters a = 36.529(4)Å, b = 15.8597(16)Å, c = 11.7747(12)Å, β = 100.528(2) ° , V = 6706.7(12)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0631 and 0.1787, respectively, for all 8068 independent reflections. Despite the symmetrical tris(1,10-phenanthroline) environment, the symmetry around the iron(II)