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Tetrakis(μ-3-azaniumylbenzoato)-κ(3) O:O,O′;κ(3) O,O′:O;κ(4) O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate
The structure of the title compound, [Nd(2)(C(7)H(7)NO(2))(4)(H(2)O)(8)]Cl(6)·4H(2)O, consists of dimeric cationic units related by an inversion centre. The two Nd(III) atoms are linked by two bridging bidentate carboxylate groups and two bidentate chelating bridging carboxylate groups, with an Nd...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089227/ https://www.ncbi.nlm.nih.gov/pubmed/21754308 http://dx.doi.org/10.1107/S1600536811012700 |
Sumario: | The structure of the title compound, [Nd(2)(C(7)H(7)NO(2))(4)(H(2)O)(8)]Cl(6)·4H(2)O, consists of dimeric cationic units related by an inversion centre. The two Nd(III) atoms are linked by two bridging bidentate carboxylate groups and two bidentate chelating bridging carboxylate groups, with an Nd⋯Nd separation of 4.1259 (4) Å. Each Nd(III) atom is nine-coordinated by five O atoms from the carboxylate groups of the zwitterionic azaniumylbenzoate ligands and four from water molecules. They adopt a distorted tricapped trigonal–prismatic arrangement. The dihedral angle between the mean planes of the benzene ring and the carboxlate groups are 7.7 (6) and 24.4 (5)°. The two carboxylate groups are almost perpendicular to one another with a dihedral angle of 84.0 (7)°, while the two benzene rings are inclined to one another by 81.8 (2)°. The molecular packing is stabilized by O—H(water)⋯Cl, O—H(water)⋯N, N—H⋯Cl, N—H⋯O, and O—H(water)⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.500 (3) Å] between symmetry-related benzene rings. All of the Cl(−) anions and the uncoordinated water molecules are disordered over two sets of sites with different occupancy ratios. |
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