Information card for entry 2004679

Structure parameters

• Chemical name: 1,1'-(dithiodicarbonothioyl)bispyrrolidine.
• Formula: C10 H16 N2 S4
• Calculated formula: C10 H16 N2 S4
• SMILES: S=C(SSC(=S)N1CCCC1)N1CCCC1
• Title of publication: Triclinic Form of Dipyrrolidinylthiuram Disulfide
• Authors of publication: Yamin, B. M.; Suwandi, S. A.; Fun, H.-K.; Sivakumar, K.; Shawkataly, O. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 951 - 953
• a: 8.27 ± 0.002 Å
• b: 9.361 ± 0.002 Å
• c: 10.689 ± 0.002 Å
• α: 113.88 ± 0.01°
• β: 98.81 ± 0.02°
• γ: 105.94 ± 0.01°
• Cell volume: 693.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.1044
• Goodness-of-fit parameter for all reflections: 0.869
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No