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Redetermination of the crystal structure of bis-(tri-2-pyridyl-amine)-iron(II) bis-(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder.

Zouaoui SetifiFatima SetifiNecmi DegeRafika El AtiChristopher Glidewell
Published in: Acta crystallographica. Section E, Crystallographic communications (2018)
The redetermination of the structure of the title compound, [Fe(C15H12N4)2](ClO4)2, (I), confirms the structure previously reported [Kucharski et al. (1978a ▸). Aust. J. Chem. 31, 53-56], but models the perchlorate over four sets of atomic sites, rather than using just one set of sites as in the original report. The supra-molecular assembly, not reported previously, takes the form of a complex three-dimensional framework built from C-H⋯O hydrogen bonds. The isotypic nickel(II) analogue, [Ni(C15H12N4)2](ClO4)2, (III), has been refined using the original data set [Wang et al. (2011 ▸). Acta Cryst. E67, m78], again using a four-component disorder model for the anion, rather than a two-component model as in the original report, leading to more satisfactory Cl-O distances and O-Cl-O angles.
Keyphrases
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