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The structure determination of the title compound was undertaken as part of a project on the modification and synthesis of new spin-crossover (SCO) compounds based on octa-hedral Fe II bis-(pyrazol-yl)borate complexes. In the course of these investigations, the compound [Fe(C 6 H 8 BN 4 ) 2 (C 12 H 7 BrN 2 )] was synthesized, for which magnetic measurements revealed an incomplete spin-crossover behaviour. Crystallization of this compound from toluene led to the formation of crystals of the toluene disolvate, [Fe(C 6 H 8 N 4 B) 2 (C 12 H 7 N 2 Br)]·2C 7 H 8 . Its asymmetric unit comprises two discrete metal complex mol-ecules and two toluene solvent mol-ecules. One of the latter is severely disordered and its contribution to the diffracted intensities was removed using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst . C 71 , 9-18]. In each complex mol-ecule, the Fe II cation is coordinated by the two N atoms of a 5-bromo-1,10-phenanthroline ligand and by two pairs of N atoms of chelating di-hydro-bis(pyrazol-1-yl)borate ligands in the form of a slightly distorted octa-hedron. The discrete complexes are arranged in columns along the a- axis direction with the toluene solvate mol-ecules located between the columns. The 5-bromo-1,10-phenanthroline ligands of neighbouring columns are approximately parallel and are slightly shifted relative to each other, indicating π-π inter-actions.

acta crystallographica. section e, crystallographic communications

Crystal structure of bis(5-bromo-1,10-phenanthroline-κ2 N,N′)bis[dihydrobis(pyrazol-1-yl)borato-κ2 N 2,N 2′]iron(II) toluene disolvate