Abstract
The asymmetric unit of the title compound, [Fe(C13H18BN6)2], contains two half independent complex mol-ecules. In each complex, the FeII atom is located on an inversion center and is surrounded by two scorpionate ligand butyl-tris-(1H-pyrazol-1-yl)borate mol-ecules that coordinate to the iron(II) ion through the N atoms of the pyrazole groups. The two independent complex mol-ecules differ essentially in the conformation of the butyl substituents. In the crystal, the complex mol-ecules are linked by a series of C-H⋯π inter-actions, which generate a supra-molecular three-dimensional structure. At 120 K, the average Fe-N bond distance is 1.969 Å, indicating the low-spin state of the iron(II) atom, which does not change upon heating, as demonstrated by high-temperature magnetic susceptibility measurements.
Highlights
The asymmetric unit of the title compound, [Fe(C13H18BN6)2], contains two half independent complex molecules
The FeII atom is located on an inversion center and is surrounded by two scorpionate ligand butyltris(1Hpyrazol-1-yl)borate molecules that coordinate to the iron(II) ion through the N atoms of the pyrazole groups
We report on the synthesis, crystal structure and magnetic properties of an alkylated charge-neutral iron(II) complex based on the scorpionate ligand butyltris(1H-pyrazol-1-yl)borate
Summary
Scorpionates, coordination metal complexes of poly(1pyrazolyl)borates, have been studied intensively since the pioneering work of Trofimenko (1999). Iron(II) derivatives are interesting because of the spin-state crossover between 1A1 low-spin (LS) and 5T2g high-spin (HS) observed for several scorpionate ligands (Long et al, 2004; Halcrow, 2007). Complexes of this type are sensitive to the effects induced by substituents on the electronic structure of the ligand and/or steric crowding (Hamon et al, 2008). Symmetry codes: (i) Àx; y þ 12; Àz þ 12; (ii) Àx þ 1; y þ 12; Àz þ 12
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