Biferrocenium tetrabromoferrate, [(C5H5)Fe(C5H4)- (C5H4)Fe(C5H5)]FeBr4. The X-ray structural characterization of a mixed-valence compound |
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| Institution: | 1. Institut Lavoisier de Versailles, CNRS UMR 8180, Univ. Versailles Saint Quentin en Yvelines, Université Paris-Saclay, 45 av. des Etats-Unis, 78035 Versailles, Cedex, France;2. State University of Moldova, 60 Alexei Mateevici str., MD-2009 Chisinau, Republic of Moldova;3. Institute of Zoology, 1 Academiei str., MD-2028 Chisinau, Republic of Moldova |
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| Abstract: | Biferrocenium tetrabromoferrate, (C5H5)Fe(C5H4)-(C5H4)Fe(C5H5)]FeBr4 (1) obtained as a by-product in the synthesis of biferrocenium trihalide salts, crystallizes in the noncentrosymmetric orthorhombic space group, P212121: (at 296 K) a 7.492(2), b 9.903 (2), c 31.604(9) Å, V 2345(1) Å3, and Z = 4. The cation, similar to other structurally characterized biferrocenium salts, adopts a trans-configuration, but, in contrast, possesses no crystallographically imposed symmetry relating the two ferrocenyl environments. Different average Fe-ring distances at the two environments: Fe(1), 2.02(2) and Fe(2), 2.08(2) Å are typical of iron(II) and iron(III) states, respectively, indicating the presence of trapped oxidation states. Interionic contacts are both shorter and more numerous for the iron(III) ferrocenyl fragment than for the iron(II) fragment. Both ferrocenyl units have non-eclipsed ring configurations, with a staggering angle of 6.5(3)° at Fe(1) and 23.5(3)° at Fe(2). The FeBr4− counterion is tetrahedral and ordered. |
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