Information card for entry 4502642

Structure parameters

• Formula: C6 H9 Na3 O13 S3
• Calculated formula: C6 H9 Na3 O13 S3
• SMILES: [Na+].[Na+].[Na+].S(=O)(=O)(c1c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c1)O)[O-].O.O.O
• Title of publication: A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters
• Authors of publication: Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1788
• a: 7.9678 ± 0.0007 Å
• b: 18.85 ± 0.002 Å
• c: 19.575 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2940 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No