Information card for entry 7211883

Structure parameters

• Common name: Sodium Nonafluorobutylsulfonate hydrate
• Chemical name: Sodium Nonafluorobutylsulfonate hydrate
• Formula: C4 H2 F9 Na O4 S
• Calculated formula: C4 H2 F9 Na O4 S
• SMILES: [Na+].S(=O)(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O
• Title of publication: Synthesis, crystal and molecular structure of alkali metal nonaflates
• Authors of publication: Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 795
• a: 17.165 ± 0.005 Å
• b: 5.634 ± 0.005 Å
• c: 11.085 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.122 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1055.3 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No