Abstract

In the complex cation of the title salt, [Co(C12H8N2)3](C10H5O8)2·H2O, the CoII cation is situated on a twofold rotation axis and is coordinated in a distorted octahedral manner by six N atoms from three chelating 1,10-phenanthroline (phen) ligands. In the crystal, the non-coordinating 2,4,5-tricarboxybenzoate anions interact with each other via O—H...O hydrogen bonds, generating a two-dimensional network parallel to (100). Adjacent sheets are connected by waterO—H...Ocarboxylate hydrogen bonds, resulting in a three-dimensional network structure that surrounds the complex cations.

Highlights

  • In the complex cation of the title salt, [Co(C12H8N2)3](C10H5O8)2ÁH2O, the CoII cation is situated on a twofold rotation axis and is coordinated in a distorted octahedral manner by six N atoms from three chelating 1,10-phenanthroline ligands

  • Adjacent sheets are connected by waterO—HÁ Á ÁOcarboxylate hydrogen bonds, resulting in a three-dimensional network structure that surrounds the complex cations

  • The CoII atom lies on a twofold rotation axis, which bisects the phen ligand containing atom N3; the water molecule of crystallization lies on the same rotation axis

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Summary

Structure description

Benzene-1,2,4,5-tetracarboxylic acid has been widely used to construct materials with metal–organic framework structures, because it possesses different coordination modes depending on the four carboxyl groups that can be completely or only partially deprotonated, but it can act as a hydrogen-bond acceptor or donor. 1,10-Phenanthroline (phen) has been well employed as a chelating ligand in coordination chemistry and in the assembly of metal–organic frameworks. The asymmetric unit of the title compound comprises one half of the complex [Co(phen)3]2+ cation, one benzene-1,2,4,5-. The CoII atom lies on a twofold rotation axis, which bisects the phen ligand containing atom N3; the water molecule of crystallization lies on the same rotation axis. The CoII atom is coordinated in a distorted octahedral manner by six N atoms from three chelating 1,10-phenanthroline (phen) ligands (Table 1). Dihedral angles between the least-squares planes of the benzene ring and the carboxy/carboxylate groups are 15.6 (3) (C27/O5/O6), 4.7 (2) (C26/O3/O4), 3.3 (3) (C28/O3/O4) and 87.9 (3) (C25/O1/O2). Intramolecular O—HÁ Á ÁO hydrogen bonding is observed for one of the three carboxylic groups to an adjacent carboxylate O atom (O7— H3Á Á ÁO6; Table 2)

DÁ Á ÁA
Synthesis and crystallization
No of parameters
Rigaku Mercury CCD diffractometer
Findings
Special details

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