Information card for entry 1542934

Structure parameters

• Common name: Dimethyl cyanocarbonimidodithioate
• Chemical name: Dimethyl <i>N</i>-cyanodithioiminocarbonate
• Formula: C4 H6 N2 S2
• Calculated formula: C4 H6 N2 S2
• Title of publication: Dimethyl <i>N</i>-cyanodithioiminocarbonate
• Authors of publication: Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160454
• a: 15.2211 ± 0.0018 Å
• b: 12.2037 ± 0.0015 Å
• c: 14.4716 ± 0.0018 Å
• α: 90°
• β: 98.788 ± 0.005°
• γ: 90°
• Cell volume: 2656.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1031
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1063
• 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: Yes
• Has Fobs: Yes