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

• Main Authors: Maksym Seredyuk, Kateryna Znovjyak, Igor O. Fritsky, Tatiana Y. Sliva, Mykola S. Slobodyanik
• Format: Article
• Language: English
• Published: International Union of Crystallography 2019-09-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; polypyrazolyl borate; iron(II) scorpionates; magnetism; C—H...π interactions
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989019011137

The asymmetric unit of the title compound, [Fe(C13H18BN6)2], contains two half independent complex molecules. In each complex, the FeII atom is located on an inversion center and is surrounded by two scorpionate ligand butyltris(1H-pyrazol-1-yl)borate molecules that coordinate to the iron(II) ion through the N atoms of the pyrazole groups. The two independent complex molecules differ essentially in the conformation of the butyl substituents. In the crystal, the complex molecules are linked by a series of C—H...π interactions, which generate a supramolecular 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.