Tetra-kis(?-3-aza-niumylbenzoato)-?O:O,O';?O,O':O;?O:O'-bis-[tetra-aqua-neodymium(III)] hexa-chloride tetra-hydrate.

ABSTRACT: 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 carboxyl-ate groups and two bidentate chelating bridging carboxyl-ate groups, with an Nd?Nd separation of 4.1259?(4)?Å. Each Nd(III) atom is nine-coordin-ated by five O atoms from the carboxyl-ate groups of the zwitterionic azaniumylbenzoate ligands and four from water mol-ecules. 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 carboxyl-ate 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 mol-ecular 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 ?-? stacking inter-actions [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.

SUBMITTER: Benslimane M 

PROVIDER: S-EPMC3089227 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature