Information card for entry 2008560

Structure parameters

• Chemical name: Ethylene bis(dimethyldithiocarbamate)
• Formula: C8 H16 N2 S4
• Calculated formula: C8 H16 N2 S4
• SMILES: CN(C(=S)SCCSC(=S)N(C)C)C
• Title of publication: Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)
• Authors of publication: Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 940 - 942
• a: 6.069 ± 0.007 Å
• b: 7.829 ± 0.002 Å
• c: 13.455 ± 0.003 Å
• α: 90°
• β: 91.76 ± 0.03°
• γ: 90°
• Cell volume: 639 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No