catena-Poly[[tetraaquacopper(II)]-μ-trithionato-κ2 O:O′]

The title supramolecular polymer, [Cu(S3O6)(H2O)4]n, features a tetragonally distorted octahedral CuII centre within an O6 donor set with the longer Cu—O bonds linking the dication and the trithionate dianion. Extensive O—H⋯O hydrogen-bonding interactions connect the supramolecular chains into a three-dimensional network.

Dr Zhang Qichun, Nanyang Technological University, is gratefully thanked for the sample.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5217). is 157.74 (10) ° for i: 1 + x, y, 1 + z. Within the trithionato dianion, the S1-S2 and S2-S3 bond distances are 2.1450 (11) and 2.1184 (12) Å, respectively, and the S1-S2-S3 angle is 101.68 (5) Å. In the crystal structure, there is a considerable number of hydrogen bonding interactions. These occur within the supramolecular chain as well as between chains to form a 2-D array in the ac plane, Fig. 3. Connections between layers lead to a 3-D network, Fig. 4.

Experimental
The blue crystal used in the present study was harvested from the hydrothermal reaction of stoichiometric amounts of CuCl, SeS 2 , S, and N 2 H 4 .H 2 O. The reagents were heated to 420 K for 3 d in a 25 ml Teflon-lined stainless-steel autoclave. After the reaction, the bomb was cooled to room temperature. The solution was filtered and layered with methanol. After four weeks, blue needles of (I) were collected and dried in air.

Refinement
The O-bound H-atoms were located in a difference Fourier map and were refined with O-H and H···H restraints of 0.840±0.001 Å and 1.39±0.01 Å, respectively, and with U iso (H) = 1.5U eq (O). Fig. 1. The asymmetric unit in (I) extended to show the coordination geometry about the Cu atom, showing displacement ellipsoids at the 50% probability level. Symmetry code: (i) 1 + x, y, 1 + z.

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 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 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.