Acta Crystallographica Section E
Key indicators Single-crystal X-ray study T = 295 K Mean (C-C) = 0.004 Å R factor = 0.040 wR factor = 0.096 Data-to-parameter ratio = 17.0 For details of how these key indicators were automatically derived from the article, see ], has C 2 symmetry with the coordinated water O atom located on a twofold axis. Two Co II ions are bridged by two methylbenzoate (MBZ) anions and one water molecule. Each Co II ion displays a distorted octahedral coordination geometry. -Stacking occurs between roughly
... s between roughly parallel MBZ and phenanthroline (phen) ligands and between parallel phen ligands. Comment Over the past few years, we have paid much attention tostacking in metal complexes (Chen et al., 2003; Li et al., 2005) becausestacking between aromatic rings is an important non-covalent interaction and is correlated with the electrontransfer process in some biological systems (Deisenhofer & Michel, 1989) . As part of an investigation on the nature ofstacking, we prepared the title methylbenzoate complex of Co II , (I), and present here its crystal structure. The molecular structure of (I) is shown in Fig. 1 . The dinuclear Co II complex has C 2 symmetry; the coordinated water O atom O5 is located on a twofold axis and bridges two Co II ions. The Co II ion assumes a distorted octahedral coordination geometry (Table 1) formed by a phenanthroline (phen) ligand, a coordinated water molecule and three 4methylbenzoate (MBZ) anions. One MBZ coordinates in monodentate mode to each Co II ion, and other two MBZ anions bridge Co II ions, forming the dinuclear molecule. Atom Co i [symmetry code: (i) 1 À x, y, Àz + 3 2 ] is displaced by metal-organic papers m2188 Zhang et al.