catena-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]]

The asymmetric unit of the title compound, {(C9H14N)3[CdCl5]}n, comprises three 2,4,6-trimethylaniline dications and one half of the [Cd2Cl10]6− anion. The Cd atoms are each coordinated by six Cl atoms, with octahedra linked by bridging, apical Cl atoms, forming linear chains running parallel to the a axis. The trimethylanilinium cations form stacks between the chains of CdCl6 octahedra.


Related literature
The title compound was studied as part of our work to obtain potential ferroelectric phase-change materials. For general background to ferroelectric metal-organic frameworks, see: Fu et al. (2009);Ye et al. (2006); Zhang et al. (2008Zhang et al. ( , 2010.

catena-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-µ-chlorido]]
Tao Rong S1. Comment The study of ferroelectric materials has received much attention. Some materials have predominantly dielectricferroelectric performance. The title compound was studied as part of our work to obtain potential ferroelectric phasechange materials Fu et al.(2009);Ye et al. (2006);Zhang et al. (2008Zhang et al. ( , 2010. As one part of our continuing studies on dielectric-ferroelectric materials, we synthesized the title compound (C 9 H 14 N) 3 .CdCl 5. Unfortunately, the study carried out on the title compound indicated that the permittivity is temperatureindependent, suggesting that there may be no dielectric disuniformity between 80 K to 350 K.

S2. Experimental
A solution of chlorhydric acid (10 mmol) was added to a solution of half equimolar amount of 2,4,6-Trimethylaniline inethanol (20 mL), then cadmium chloride(5 mmol) in water (10 mL) was added.Crystals suitable for structure determination were grown by slow evaporation of the mixture at room temperature.

S3. Refinement
Positional parameters of all the H atoms bonded to C atoms were calculated geometrically and were allowed to ride on the C atoms to which they are bonded, with U iso (H) = 1.2Ueq(C) and U iso (H) = 1.5Ueq(C) for the methyl group. The other H bonded to N atoms were calculated geometrically and were allowed to ride on the N atoms with U iso (H) = 1.2Ueq(N).

catena-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-µ-chlorido]]
Crystal data (C 9 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'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 > σ(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.