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Crystal structure and magnetic properties of bis-[butyl-tris-(1H-pyrazol-1-yl)borato]iron(II).

ABSTRACT: The asymmetric unit of the title compound, [Fe(C₁₃H₁₈BN₆)₂], contains two half independent complex mol-ecules. In each complex, the Fe^II 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?? 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.

SUBMITTER: Seredyuk M

PROVIDER: S-EPMC6727041 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature

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Crystal structure and magnetic properties of bis-[butyl-tris-(1H-pyrazol-1-yl)borato]iron(II).

Seredyuk Maksym M Znovjyak Kateryna K Fritsky Igor O IO Sliva Tatiana Y TY Slobodyanik Mykola S MS

Acta crystallographica. Section E, Crystallographic communications 20190820 Pt 9

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 s ...[more]

PMID: 31523459

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