Acta Cryst. (2013). E69, m417-m418
[ doi:10.1107/S1600536813017194 ]
Abstract: The title compound, [Ni(C7H6N2O3)(C12H8N2)2]·3.5H2O, crystallizes as a neutral mononuclear complex with 3.5 solvent water molecules. One of the water molecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of NiII has a slightly distorted octahedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelating pyrazol-1-ide-5-carboxylate and two N,N'-chelating phenanthroline molecules. In the crystal, O-HO, N-HO and O-HN hydrogen bonds involving the solvent water molecules and pyrazole-5-carboxylate ligands form layers parallel to the ab plane. These layers are linked further via weak - interactions between two adjacent phenanthroline molecules, with centroid-to-centroid distances in the range 3.886 (2)-4.018 (1) Å, together with C-H contacts, forming a three-dimensional network.
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