Information card for entry 8105795

Structure parameters

• Formula: C5 H12 N Na O3 S2
• Calculated formula: C5 H12 N Na O3 S2
• Title of publication: Crystal structure of sodium morpholine-4-carbodithioate, (C5H12NNaO3S2)
• Authors of publication: Solomane, Nolwazi; Ajibade, Peter A.; Omondi, Bernard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 605 - 607
• a: 28.8222 ± 0.0013 Å
• b: 5.6782 ± 0.0003 Å
• c: 12.381 ± 0.0006 Å
• α: 90°
• β: 102.074 ± 0.002°
• γ: 90°
• Cell volume: 1981.43 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0283
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No