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Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II)


ABSTRACT: The coordination polyhedra of the nickel(II) ions of the title compound in the complex cation and the anion, viz., trans-NiN4O2 and trans-NiO4N2, are distorted octa­hedra. In the crystal, the donor groups of the tetra­amine and the coordinated water mol­ecules and the carboxyl­ate groups of the pyridine-2,6-di­carboxyl­ate anions are involved in numerous N—H⋯O and O—H⋯O hydrogen bonds, thereby forming sheets of ions lying parallel to the (001) plane. The asymmetric unit of the title compound, trans-di­aqua­(1,4,8,11-tetra­aza­undecane-κ4N1,N4,N8,N11)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato-κ3O2,N,O6)nickel(II) {[Ni(L)(H2O)2][Ni(pdc)2] where L = 1,4,8,11-tetra­aza­undecane (C7H20N4) and pdc = the dianion of pyridine-2,6-di­carb­oxy­lic acid (C7H3NO42−)} consists of an [Ni(L)(H2O)2]2+ complex cation and a [Ni(pdc)2]2– anion. The metal ion in the cation is coordinated by the four N atoms of the tetra­amine ligand and the mutually trans O atoms of the water mol­ecules in a tetra­gonally elongated octa­hedral geometry with the average equatorial Ni—N bond length slightly shorter than the average axial Ni—O bond [2.087 (4) versus 2.128 (4) Å]. The ligand L adopts its energetically favored conformation with five-membered and six-membered chelate rings in gauche and chair conformations, respectively. In the complex anion, the NiII ion is coordinated by the two tridentate pdc2– ligands via their carboxyl­ate and nitro­gen atom donors in a distorted octa­hedral trans-NiO4N2 geometry with nearly orthogonal orientation of the planes defining the carboxyl­ate rings and the average Ni—N bond length [1.965 (4) Å] shorter than the average Ni—O bond distance [2.113 (7) Å]. In the crystal, the NH donor groups of the tetra­amine, the carb­oxy­lic groups of the pdc2– anion and the coordinated water mol­ecules are involved in numerous N—H⋯O and O—H⋯O hydrogen bonds, leading to electroneutral sheets oriented parallel to the (001) plane.

SUBMITTER: Andriichuk I 

PROVIDER: S-EPMC8587994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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