Acta Cryst. (2013). E69, m12-m13
[ doi:10.1107/S1600536812048611 ]

Tris(1,10-phenanthroline-²N,N')iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) hemihydrate

Z. Setifi, F. Setifi, S. W. Ng, A. Oudahmane, M. El-Ghozzi and D. Avignant

Abstract: In the title hydrated molecular salt, [Fe(C₁₂H₈N₂)₃](C₉H₅N₄O)₂·0.5H₂O, the water molecule site is half-occupied. The Fe-N bond lengths within the octahedral tris-chelate [Fe(phen)3]²⁺ ion (phen is 1,10-phenantroline) are indicative of a low-spin d⁶ electronic configuration for the metal ion. The C-N, C-C and C-O bond lengths in the polynitrile anions indicate extensive electronic delocalization. In the crystal, the components are linked through O-HN hydrogen bonds, forming [100] chains, as well as through Coulombic interactions.

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