Abstract
The CoII atom in the title complex, [Co(SO4)(C12H8N2)(H2O)3] (or C12H14CoN2O7S), is octa-hedrally coordinated within a cis-N2O4 donor set defined by the chelating N-donors of the 1,10-phenanthroline ligand, sulfate-O and three aqua-O atoms, the latter occupying an octa-hedral face. In the crystal, supra-molecular layers lying parallel to (110) are sustained by aqua-O-H⋯O(sulfate) hydrogen bonding. The layers stack along the c-axis direction with the closest directional inter-action between them being a weak phenanthroline-C-H⋯O(sulfate) contact. There are four significant types of contact contributing to the calculated Hirshfeld surface: at 44.5%, the major contribution comes from O-H⋯O contacts followed by H⋯H (28.6%), H⋯C/C⋯H (19.5%) and C⋯C (5.7%) contacts. The dominance of the electrostatic potential force in the mol-ecular packing is also evident in the calculated energy frameworks. The title complex is isostructural with its manganese, zinc and cadmium containing analogues and isomeric with its mer-tri-aqua analogue.
Highlights
The CoII atom in the title complex, [Co(SO4)(C12H8N2)(H2O)3], is octahedrally coordinated within a cis-N2O4 donor set defined by the chelating N-donors of the 1,10-phenanthroline ligand, sulfate-O and three aqua-O atoms, the latter occupying an octahedral face
The S—O bond lengths formed by the non-coordinating sulfate-oxygen atoms spans an experimentally distinct range of 1.4616 (14) Afor S1—O2, to 1.4813 (14) Afor S1—O3
The sulfate-O1– O4 oxygen atoms form, respectively, one, one, two and two hydrogen bonds with the water molecules, which is consistent with the S1—O2 bond length being the shortest of the four bonds
Summary
As a consequence of their ability to link metal ions in a variety of different ways, polynitrile anions, either functioning alone or in combination with neutral co-ligands, provide opportunities for the generation of molecular architectures with varying dimensions and topologies (Benmansour et al, 2012). The use of polynitrile anions for the synthesis of interesting discrete and polymeric bistable materials has been described (Setifi et al, 2014; Milin et al, 2016; Pittala et al, 2017) In view of this coordinating ability, these ligands have been explored for their utility in developing materials capable of magnetic exchange coupling (Addala et al, 2015; Deniel et al, 2017). The S—O bond lengths formed by the non-coordinating sulfate-oxygen atoms spans an experimentally distinct range of 1.4616 (14) Afor S1—O2, to 1.4813 (14) Afor S1—O3. The sulfate-O1– O4 oxygen atoms form, respectively, one, one, two and two hydrogen bonds with the water molecules, which is consistent with the S1—O2 bond length being the shortest of the four bonds. The above notwithstanding, it is likely that the formal negative charge on the SO3 residue is delocalized over the three non-coordinating S—O bonds
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