Information card for entry 2232973

Structure parameters

• Chemical name: Poly[aqua(μ~11~-4,6-dihydroxybenzene-1,3-disulfonato)dipotassium]
• Formula: C6 H6 K2 O9 S2
• Calculated formula: C6 H6 K2 O9 S2
• SMILES: [K+].[K+].S(=O)(=O)([O-])c1c(O)cc(O)c(S(=O)(=O)[O-])c1.O
• Title of publication: Poly[aqua(μ~11~-4,6-dihydroxybenzene-1,3-disulfonato)dipotassium]
• Authors of publication: Xie, Zhu-Lin; Lai, Wu-Leng; Yang, Rui-Qing; Xie, Yong-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1745
• a: 7.3427 ± 0.0003 Å
• b: 11.5194 ± 0.0005 Å
• c: 14.6331 ± 0.0006 Å
• α: 90°
• β: 100.495 ± 0.001°
• γ: 90°
• Cell volume: 1217.01 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.0263
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes