Abstract
In the title compound, [Cd(C8H4O4)(C11H6N2O)(H2O)3]·5H2O, the CdII atom is seven-coordinated by two N atoms from one bidentate phenanthroline-derived ligand and by five O atoms, two from one bidentate benzene-1,3-dicarboxylate (1,3-BDC) ligand and three from water molecules, in a distorted pentagonal-bipyramidal geometry. Neighbouring units interact through π–π interactions [centroid–centroid distances = 3.380 (3) and 3.283 (4) Å]. Finally, three types of O—H⋯O hydrogen bonds exist between coordinated dissociative water molecules and hybridization water molecules and carboxylate O atoms, resulting in a two-dimensional network parallel to (010).
Highlights
In the title compound, [Cd(C8H4O4)(C11H6N2O)(H2O)3]5H2O, the CdII atom is seven-coordinated by two N atoms from one bidentate phenanthroline-derived ligand and by five
O—H O hydrogen bonds exist between coordinated dissociative water molecules and hybridization water molecules and carboxylate O atoms, resulting in a two-dimensional network parallel to (010)
Symmetry codes: (i) x, y, z−1; (ii) x+1, y, z; (iii) x−1, y, z−1; (iv) x+1/2, −y+1/2, z−1/2; (v) x−1, y, z; (vi) x−1/2, −y+1/2, z−1/2; (vii) x+1/2, −y+1/2, z+1/2
Summary
Key indicators: single-crystal X-ray study; T = 292 K; mean (C–C) = 0.006 Å; disorder in main residue; R factor = 0.051; wR factor = 0.119; data-to-parameter ratio = 14.5. In the title compound, [Cd(C8H4O4)(C11H6N2O)(H2O)3]5H2O, the CdII atom is seven-coordinated by two N atoms from one bidentate phenanthroline-derived ligand and by five. O atoms, two from one bidentate benzene-1,3-dicarboxylate (1,3-BDC) ligand and three from water molecules, in a distorted pentagonal-bipyramidal geometry. Neighbouring units interact through – interactions [centroid–centroid distances = 3.380 (3) and 3.283 (4) Å]. O—H O hydrogen bonds exist between coordinated dissociative water molecules and hybridization water molecules and carboxylate O atoms, resulting in a two-dimensional network parallel to (010)
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