Information card for entry 2235439

Structure parameters

• Common name: Bis[(methylthio)carbonyl]disulfane
• Chemical name: Bis[(methylsulfanyl)carbonyl]disulfane
• Formula: C4 H6 O2 S4
• Calculated formula: C4 H6 O2 S4
• SMILES: S(C)C(=O)SSC(=O)SC
• Title of publication: Bis[(methylsulfanyl)carbonyl]disulfane
• Authors of publication: Ford, David K.; Young Jr, Victor G.; Barany, George
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2102
• a: 5.33 ± 0.0007 Å
• b: 8.6935 ± 0.0012 Å
• c: 9.9166 ± 0.0013 Å
• α: 109.875 ± 0.002°
• β: 92.154 ± 0.002°
• γ: 101.481 ± 0.002°
• Cell volume: 420.71 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes