Information card for entry 2233144

Structure parameters

• Common name: 2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione
• Formula: C9 H4 S7
• Calculated formula: C9 H4 S7
• SMILES: S=C1SC(=C2SC=CS2)SC1=C1SC=CS1
• Title of publication: 2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione
• Authors of publication: Ueda, Kazumasa; Suzuki, Kenta; Kunimoto, Kei; Yoza, Kenji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o52
• a: 17.669 ± 0.005 Å
• b: 3.911 ± 0.0011 Å
• c: 18.38 ± 0.005 Å
• α: 90°
• β: 108.177 ± 0.004°
• γ: 90°
• Cell volume: 1206.7 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes