Diaquabis(dimethyl sulfoxide-κO)disaccharinatocadmium

The title compound, [Cd(C7H4NO3S)2(C2H6OS)2(H2O)2], contains a Cd2+ cation in an octahedral coordination environment. The metal atom is surrounded by the two different neutral ligands dimethyl sulfoxide (DMSO) and water, each coordinating through the O atom. The anionic saccharinate (sac; 1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-ide) ligand coordinates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. The Cd atom lies on a crystallographic center of symmetry. The DMSO ligand coordinates through the lone pair of electrons on the O atom, as can be seen from the Cd—O—S bond angle of 123.96 (9)°.

The title compound, [Cd(C 7 H 4 NO 3 S) 2 (C 2 H 6 OS) 2 (H 2 O) 2 ], contains a Cd 2+ cation in an octahedral coordination environment. The metal atom is surrounded by the two different neutral ligands dimethyl sulfoxide (DMSO) and water, each coordinating through the O atom. The anionic saccharinate (sac; 1,1,3-trioxo-2,3-dihydro-1 6 ,2-benzothiazol-2-ide) ligand coordinates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. The Cd atom lies on a crystallographic center of symmetry. The DMSO ligand coordinates through the lone pair of electrons on the O atom, as can be seen from the Cd-O-S bond angle of 123.96 (9) .

Related literature
For a general review article on the coordination chemistry of saccharinate ligands, see: Baran & Yilmaz (2006). For cadmium saccharinate complexes, see: Deng et al. (2008) and for cadmium complexes with saccharinate as a non-coordinating ligand, see: Batsanov et al. (2011). For a cadmium complex that contains both saccharinate and DMSO, see: Yilmaz et al. (2003). For the preparation of cadmium precursor complexes, see: Haider et al. (1984).

Experimental
[Cd(sac) 2 (H 2 O) 4 ].2H 2 O was prepared as per literature method (Haider et al., 1984). Colorless crystals of [Cd(sac) 2 (H 2 O) 4 ].2H 2 O (1.13 g; 2.10 mmol) was placed in a 100 ml beaker and dissolved in excess amount of dimethyl sulfoxide (dmso) (20 ml). The reaction mixture was gently heated on a heating mantle with stirring to reduce the volume of dmso to ~7 ml. The beaker was removed from the heat source and allowed to stand for 6 days during which time large

Refinement
All non-H atoms were refined anisotropically. All hydrogen atoms could be found in the difference electron density maps.
All, except H5A and H5B on O5, were placed in idealized positions refining in riding models with U iso set at 1.2 or 1.5 supplementary materials sup-2 times those of their parent atoms. The water hydrogen atoms H5A and H5B were located in the difference electron density maps and refined with independent isotropic temperature factors and simple bond length constraints of d(O-H) = 0.980 (2) Å. The structure was refined to R factor of 0.0253. Fig. 1. The ORTEP molecular structure of the title complex, shown with 50% probability ellipsoids. [Symmetry codes: (i) 1-x, 2-y, -z] Diaquabis(dimethyl sulfoxide)bis(1,1,3-trioxo-2,3-dihydro-1λ 6 ,2-benzothiazol-2-ido)cadmium Crystal data [Cd(C 7 H 4  as those based on F, and R-factors based on ALL data will be even larger.