Information card for entry 7236255

Structure parameters

• Common name: NaMM4411
• Formula: C10 H22 N Na O7 S2
• Calculated formula: C10 H22 N Na O7 S2
• SMILES: C[N+](C)(CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-].[Na+].O
• Title of publication: Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes
• Authors of publication: Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 88
• Pages of publication: 85194
• a: 29.6781 ± 0.0016 Å
• b: 10.9086 ± 0.0006 Å
• c: 9.8067 ± 0.0005 Å
• α: 90°
• β: 104.142 ± 0.0006°
• γ: 90°
• Cell volume: 3078.7 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No