Information card for entry 7052404

Structure parameters

• Formula: C6 S8
• Calculated formula: C6 S8
• SMILES: S=C1SSC2=C1SC1=C(S2)C(=S)SS1
• Title of publication: Bent and planar molecules in polymorphs of the tricyclic carbon sulfide C6S8
• Authors of publication: Beck, Johannes; Weber, Johannes; Mukhopadhyay, Atashi Basu; Dolg, Michael
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 465
• a: 11.9524 ± 0.0008 Å
• b: 11.9524 ± 0.0008 Å
• c: 7.6116 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1087.39 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No