Information card for entry 2230881

Structure parameters

• Common name: Sodium piperidine-1-carbodithioate dihydrate
• Chemical name: Sodium piperidine-1-carbodithioate dihydrate
• Formula: C6 H14 N Na O2 S2
• Calculated formula: C6 H14 N Na O2 S2
• SMILES: C(=S)([S-])N1CCCCC1.O.[Na+].O
• Title of publication: Sodium piperidine-1-carbodithioate dihydrate
• Authors of publication: Mafud, Ana C.; Gambardella, Maria Teresa P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m942
• a: 12.241 ± 0.005 Å
• b: 5.909 ± 0.005 Å
• c: 14.69 ± 0.005 Å
• α: 90°
• β: 95.519 ± 0.005°
• γ: 90°
• Cell volume: 1057.6 ± 1.1 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes