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Crystal structure of bis(5-bromo-1,10-phenanthroline-?2 N,N')bis-[di-hydro-bis-(pyrazol-1-yl)borato-?2 N 2,N 2']iron(II) toluene disolvate.


ABSTRACT: 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 FeII bis-(pyrazol-yl)borate complexes. In the course of these investigations, the compound [Fe(C6H8BN4)2(C12H7BrN2)] 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(C6H8N4B)2(C12H7N2Br)]·2C7H8. 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. C71, 9-18]. In each complex mol-ecule, the FeII 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 ?-? inter-actions.

SUBMITTER: Ossinger S 

PROVIDER: S-EPMC7405586 | BioStudies | 2020-01-01

REPOSITORIES: biostudies

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