Information card for entry 2236567

Structure parameters

• Chemical name: Poly[μ-aqua-aqua-μ~6~-(1,1-dioxo-1λ^6^,2,5-thiadiazolidine-3,4-diolato)- dilithium]
• Formula: C2 H4 Li2 N2 O6 S
• Calculated formula: C2 H4 Li2 N2 O6 S
• SMILES: C1(=NS(=O)(=O)N=C1[O-])[O-].[Li+].[Li+].O.O
• Title of publication: Dilithium 1,2,5-thiadiazolidine-3,4-dione 1,1-dioxide dihydrate
• Authors of publication: McOwen, Dennis W.; Delp, Samuel A.; Boyle, Paul D.; Henderson, Wesley A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1228
• a: 7.239 ± 0.003 Å
• b: 11.185 ± 0.003 Å
• c: 9.786 ± 0.004 Å
• α: 90°
• β: 124.27 ± 0.02°
• γ: 90°
• Cell volume: 654.8 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes