Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]

The divalent nickel compound {[Ni(ceb)(bpmp)(H2O)2] n , (ceb is (4-(carboxyethyl)benzoate; bpmp is 1,4-bis(pyridin-4-ylmethyl)piperazine) crystallizes as a fivefold interpenetrated tri-periodic coordination polymer without co-crystallized species.

The asymmetric unit of the title compound contains a divalent nickel atom, a fully deprotonated ceb ligand, two bound water molecules, and a bpmp ligand.The nickel atom is coordinated in an [O 4 N 2 ] distorted octahedral fashion (Fig. 1) with two cisoriented aqua ligands, two trans-oriented carboxylate O atom donors from two ceb ligands, and two cis-oriented pyridyl N atom donors from two bpmp ligands.Pertinent bond length and angle information for the coordination sphere is listed in Table 1.

Figure 4
Fivefold interpenetration of dia polymer networks in the title compound.
The linking ligands are shown as rods.Symmetry codes are as listed in Table 1.

Special details
Experimental.Data was collected using a BRUKER CCD (charge coupled device) based diffractometer equipped with an Oxford low-temperature apparatus operating at 173 K.A suitable crystal was chosen and mounted on a nylon loop using Paratone oil.Data were measured using omega scans of 0.5° per frame for 30 s.The total number of images were based on results from the program COSMO where redundancy was expected to be 4 and completeness to 0.83Å to 100%.Cell parameters were retrieved using APEX II software and refined using SAINT on all observed reflections.Data reduction was performed using the SAINT software which corrects for Lp.Scaling and absorption corrections were applied using SADABS6 multi-scan technique, supplied by George Sheldrick.The structure was solved by the direct method using the SHELXT program and refined by least squares method on F2, SHELXL, incorporated in OLEX2.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.The structure was refined by Least Squares using version 2018/3 of XL (Sheldrick, 2015) incorporated in Olex2 (Dolomanov et al., 2009).All non-hydrogen atoms were refined anisotropically.Hydrogen atom positions were calculated geometrically and refined using the riding model, except for the Hydrogen atom on the nitrogen atom which was found by difference Fourier methods and refined isotropically.

Figure 1
Figure 1Nickel coordination environment in the title compound with full ceb and bpmp ligands.Displacement ellipsoids are drawn at the 50% probability level.Color code: Co, dark blue; O, red; N, light blue; C, black; H, pink.Symmetry codes are as listed in Table1.

Table 3
Experimental details.