Information card for entry 2206536

Structure parameters

• Chemical name: N,N'-Bis[2-(diethylamino)ethyl]dithiooxalamide
• Formula: C14 H30 N4 S2
• Calculated formula: C14 H30 N4 S2
• SMILES: CCN(CCNC(=S)C(=S)NCCN(CC)CC)CC
• Title of publication: <i>N</i>,<i>N</i>'-Bis[2-(diethylamino)ethyl]dithiooxalamide
• Authors of publication: Cui, Jian-Zhong; Zhang, Dan; Song, Li-Hui; Cheng, Peng; Liao, Dai-Zheng; Wang, Geng-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2714 - o2715
• a: 7.264 ± 0.004 Å
• b: 5.317 ± 0.003 Å
• c: 24.239 ± 0.015 Å
• α: 90°
• β: 93.158 ± 0.01°
• γ: 90°
• Cell volume: 934.8 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1616
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes