catena-Poly[[bis(p-toluenesulfonato-κO)palladium(II)]bis(μ-1,3-di-4-pyridylpropane-κ2 N:N′)]

In the title compound, [Pd(C7H7O3S)2(C13H14N2)2]n, the metal ion, located on a twofold rotation axis, exhibits a slightly distorted octahedral coordination environment, with bond angles that deviate by at most 2.2° from an ideal geometry, completed by two O atoms from two deprotonated p-toluenesulfonic acid ligands and four N atoms from four 1,3-di-4-pyridylpropane ligands. One of the sulfonate O atoms is disordered over two positions [ratio 0.70 (5):0.30 (5)].

In the title compound, [Pd(C 7 H 7 O 3 S) 2 (C 13 H 14 N 2 ) 2 ] n , the metal ion, located on a twofold rotation axis, exhibits a slightly distorted octahedral coordination environment, with bond angles that deviate by at most 2.2 from an ideal geometry, completed by two O atoms from two deprotonated p-toluenesulfonic acid ligands and four N atoms from four 1,3di-4-pyridylpropane ligands. One of the sulfonate O atoms is disordered over two positions [ratio 0.70 (5):0.30 (5)].

propane-κ 2 N:N′)]
Suwen Wang, Tianyu Yang, Zhongfang Li and Xianjin Yu S1. Comment Design and construction of metal-organic frameworks (MOFs) have attracted considerable attention in recent years, not only for their intriguing structural motifs but also for their potential applications in the areas of catalysis, separation, gas absorption, molecular recognition, nonlinear optics, and magnetochemistry (Jia et al. (2007); Li et al. (1996); Seo et al. (2000); Hagrman et al. (1999); Yaghi et al. (1998); Kortz et al. (2003); Liu et al. (2007); Wang et al. (2007)). A successful strategy for the design and synthesis of predictable MOFs is the assembly reaction between metal ions and well designed organic ligands. 1,3-di(4-pyridyl)proane is a very good choice for preparing such MOFs because of its versatile coordination modes with transition metal centers (Xu et al. (2004); Zhu et al. (2002); Mock et al. (2001)). We report here the crystal and molecular structure of the title compound, (I).
In the asymmetric unit of complex (I), exhibit one 1,3-di(4-pyridyl)propane ligand, one depronated p-toluenesulfonic acid, and one Pd(II) ion, figure 1.The metal exhibits an octahedral coordination environment with bond angles that do not exceed 2.2° from the ideal geometry completed by two oxygen atoms from two depronated p-Toluenesulfonic acid and four nitrogen atoms from four 3-(2-pyridyl)pyrazole ligand.The bond distances of Pd-O and Pd-N are in the range of 2.326 (2)-2.339 (2) and 2.338 (2) Å, respectively.The O1 atom is disordered over two positions [0.70 (5)/0.30 (5)].

S3. Refinement
All H atoms were geometrically positioned and refined using a riding model, with C-H = 0.93 A for the aryl, 0.97 A for the methylene, and 0.96 A for the methyl H atoms. U iso (H) = 1.2Ueq(C) for the aryl, methine and methylene H atoms, and 1.5Ueq(C) for methyl H atoms. The atom O1 is disordered and was modelled using a split model with refined population  A view of (I) with the unique atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
Minor component of disordered O1 atom as well as H atoms have been omitted. Unlabeled atoms are related to labeled atoms by the symmetry code (x, 1/2 -y, 1/2 -z)

catena-Poly[[bis(p-toluenesulfonato-κO)palladium(II)]bis(µ-1,3-di-4-pyridylpropane-κ 2 N:N′)]
Crystal data where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.047 Δρ max = 0.61 e Å −3 Δρ min = −0.67 e Å −3 Special details Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s 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 > 2σ(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 Occ. (