Dimer structure of 1,2-bipyridyldichloroiron(II), [FeIICl2bipy]2, and chain structure of 2,2′-bipyridyldithiocyanatoiron(II), [FeII(NCS)2bipy]n. The use of powder X-ray diffraction data to determine the structure of Werner coordination complexes

The structures of FeIICl2bipy and FeII(NCS)2bipy (bipy = 2,2′-bipyridine) have been determined with the use of synchrotron powder diffraction data. FeIICl2bipy has a pentacoordinate square pyramidal Fe(II) and forms a centrosymmetric dimer with asymmetric bridging Fe–Cl–Fe bonds. FeII(NCS)2bipy has an octahedral Fe(II) and forms an extended zigzag 1-D chain structure consistent with its previously reported magnetic properties. The magnetic data of FeIICl2bipy is best fit by a S = 2 dinuclear model with weak intradimer ferromagnetic coupling (J/kB = 2.05 K; H = −2JijSi·Sj) and weaker interdimer antiferromagnetic coupling.

Graphical abstractThe crystal structures of Werner coordination complexes [FeIICl2bipy]2 and [FeII(NCS)2bipy]n have been determined by powder X-ray diffraction.Figure optionsDownload full-size imageDownload as PowerPoint slide