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Abstract
The asymmetric unit of the title compound, [Fe(C9H4O6)(C12H8N2)(H2O)]n, contains one FeII cation, one 5-carboxybenzene-1,3-dicarboxylate dianion (Hbtc), one 1,10-phenanthroline (phen) ligand and one water molecule. The FeII centre displays a distorted octahedral geometry, being surrounded by one phen ligand, two μ2-O atoms of two carboxylate groups from two Hbtc ligands, one O atom from one carboxylate of another Hbtc ligand and one terminal water molecule. One carboxylate group ligates two FeII cations in a μ1,1 mode, while the other carboxylate groups bonds to only one Fe atom. The crystal structure is stabilized by O—H⋯O hydrogen bonds.
Highlights
The asymmetric unit of the title compound, [Fe(C9H4O6)(C12H8N2)(H2O)]n, contains one FeII cation, one 5-carboxybenzene-1,3-dicarboxylate dianion (Hbtc), one 1,10-phenanthroline ligand and one water molecule
H atoms treated by a mixture of independent and constrained refinement max = 0.37 e Å3
H atoms treated by a mixture of independent and constrained refinement w = 1/[σ2(Fo2) + (0.0467P)2 + 0.209P]
Summary
R factor = 0.041; wR factor = 0.096; data-to-parameter ratio = 13.0. The asymmetric unit of the title compound, [Fe(C9H4O6)(C12H8N2)(H2O)]n, contains one FeII cation, one 5-carboxybenzene-1,3-dicarboxylate dianion (Hbtc), one 1,10-phenanthroline (phen) ligand and one water molecule. The FeII centre displays a distorted octahedral geometry, being surrounded by one phen ligand, two 2-O atoms of two carboxylate groups from two Hbtc ligands, one O atom from one carboxylate of another Hbtc ligand and one terminal water molecule. One carboxylate group ligates two FeII cations in a 1,1 mode, while the other carboxylate groups bonds to only one Fe atom. The crystal structure is stabilized by O—H O hydrogen bonds
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