Hexaaquazinc(II) 4,4′-(1,2-dihydroxyethane-1,2-diyl)dibenzoate monohydrate

The title compound, [Zn(H2O)6](C16H12O6)·H2O, consists of one 4,4′-(1,2-dihydroxyethane-1,2-diyl)dibenzoate anion lying on an inversion centre, one [Zn(H2O)6]2+ dication lying on a mirror plane and one solvent water molecule located on a mirror plane. The octahedral [Zn(H2O)6]2+ cations, solvent water molecules and anions interact via O—H⋯O hydrogen bonds, forming a three-dimensional network.


Comment
Current interest in polymeric coordination networks is rapidly expanding for their intriguing architectures (Carlucci et al., 2003) and potential applications (Rosi et al., 2003). thus, we have reacted the ligand with Zn(NO3) 2 under hydrothermal conditions to obtain new metal-organic complexes and the structure will be reported here.
As illustrated in figure

Refinement
Carbon and nitrogen bound H atoms were placed at calculated positions and were treated as riding on the parent C or N atoms with C-H = 0.93 Å, N-H = 0.86 Å, and with U iso (H) = 1.2 U eq (C, N). H atoms of water molecule were located in a difference Fourier map and refined as riding, with Uiso(H) = 1.2Ueq(O) Figures   Fig. 1

Special details
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2sigma(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq