Information card for entry 2216334

Structure parameters

• Chemical name: (2E,3E)-2,3-Bis(1,3-dithiolan-2-ylidenehydrazono)butane
• Formula: C10 H14 N4 S4
• Calculated formula: C10 H14 N4 S4
• SMILES: CC(=N\N=C1SCCS1)/C(=N/N=C1SCCS1)C
• Title of publication: (2<i>E</i>,3<i>E</i>)-2,3-Bis(1,3-dithiolan-2-ylidenehydrazono)butane
• Authors of publication: Yang, Ling-Juan; Li, Zhi-Gang; Liu, Xiao-Lan; Liu, Yong-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4501 - o4501
• a: 8.021 ± 0.0017 Å
• b: 17.939 ± 0.004 Å
• c: 10.227 ± 0.002 Å
• α: 90°
• β: 100.108 ± 0.003°
• γ: 90°
• Cell volume: 1448.7 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes