Information card for entry 2007235

Structure parameters

• Chemical name: β-Sodium succinate hexahydrate
• Formula: C4 H16 Na2 O10
• Calculated formula: C4 H16 Na2 O10
• SMILES: C(C(=O)[O-])CC(=O)[O-].O.O.O.O.O.O.[Na+].[Na+]
• Title of publication: A New Phase of Sodium Succinate Hexahydrate
• Authors of publication: Montserrat, Noemí; Virtudes Moreno; Xavier Solans; Mercé Font-Bardía
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 578 - 580
• a: 8.9033 ± 0.0008 Å
• b: 6.3 ± 0.003 Å
• c: 10.717 ± 0.002 Å
• α: 90°
• β: 102.614 ± 0.013°
• γ: 90°
• Cell volume: 586.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.0746
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No