1,1′-{[1,1′-(Pyridinium-2,6-diyl)diethylidyne]diimino}diguanidinium pentachloridocadmate(II) monohydrate

In the title organic–inorganic hybrid salt, (C11H20N9)[CdCl5]·H2O, the crystal structure is stabilized by intermolecular hydrogen bonds between the organic cation, the complex inorganic anion and the uncoordinated water molecule, forming a three-dimensional network.

In the title organic-inorganic hybrid salt, (C 11 H 20 N 9 )-[CdCl 5 ]ÁH 2 O, the crystal structure is stabilized by intermolecular hydrogen bonds between the organic cation, the complex inorganic anion and the uncoordinated water molecule, forming a three-dimensional network.

Related literature
For details of the synthesis, see: Valdes-Martinez et al. (2002).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DN2466).

Experimental
The ligand L was prepared according to reported method (Valdes-Martinez et al. 2002). The title compound was prepared by refluxing an 30 ml EtOH-HCl mixture solution (v:v = 3:1) containing an equimolar amount of L (1.096 g, 4 mmol) and CdCl 2 for 1 h. The resulting solution was filtered and stood still until crystals formed.

Refinement
All H atoms attached to C atoms and N atom were fixed geometrically and treated as riding with C-H = 0.96 Å (methyl) or 0.93 Å (aromatic) and N-H = 0.86 Å with U iso (H) = 1.2U eq (Caromatic or N) and U iso (H) = 1.5U eq (Cmethyl). H atoms of water molecule were located in difference Fourier maps and included in the subsequent refinement using restraints (O-H= 0.85 (1)Å and H···H= 1.39 (2)Å) with U iso (H) = 1.5U eq (O). In the last stage of structure refinement, they were treated as riding on their parent O atom.

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 > σ(F 2 ) is used only for calculating Rfactors(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.