Information card for entry 2235989

Structure parameters

• Chemical name: Potassium morpholine-4-carbodithioate monohydrate
• Formula: C5 H10 K N O2 S2
• Calculated formula: C5 H10 K N O2 S2
• SMILES: [K+].S=C([S-])N1CCOCC1.O
• Title of publication: Potassium morpholine-4-carbodithioate monohydrate
• Authors of publication: Mafud, Ana C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1025
• a: 6.7235 ± 0.001 Å
• b: 17.26 ± 0.004 Å
• c: 8.1904 ± 0.001 Å
• α: 90°
• β: 108.994 ± 0.01°
• γ: 90°
• Cell volume: 898.7 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes