Dimeric Aqua(3,5-dinitrobenzoato)(triethylene glycol)calcium(II) 3,5-Dinitrobenzoate Hydrate

The title dimeric compound, bis(μ-3,5-dinitrobenzoato-O:O')bis[(triethylene glycol-O,O',O”,O”')calcium(II)] bis(3,5-dinitrobenzoate) dihydrate, {[Ca(C₇H₃N₂O₆)(C₆H₁₄O₄)(H₂O)](C₇H₃N₂O₆).H₂O}₂, has seven-coordinate Ca centres with distorted pentagonal bipyramidal geometry. Four O atoms in the coordination sphere belong to the triethylene glycol ligand, one belongs to the water molecule and the two final O atoms are from two different symmetry-related carboxylate groups belonging to two symmetry-related 3,5-dinitrobenzoate anions. anions. The second dinitrobenzoate anion in the asymmetric unit does not participate in coordination, but is involved in hydrogen bonding to the hydroxyl groups of the triethylene glycol ligand.

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