Information card for entry 1545652

Structure parameters

• Chemical name: Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]
• Formula: C8 H8 N Na O7 S
• Calculated formula: C8 H8 N Na O7 S
• SMILES: C1(=O)C(=O)c2cc(ccc2N1)S(=O)(=O)[O-].[Na+].O.O
• Title of publication: Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium]
• Authors of publication: Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170440
• a: 7.4526 ± 0.0017 Å
• b: 7.9888 ± 0.0019 Å
• c: 10.692 ± 0.002 Å
• α: 85.916 ± 0.01°
• β: 80.181 ± 0.01°
• γ: 65.237 ± 0.01°
• Cell volume: 569.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes