Information card for entry 1519273

Structure parameters

• Formula: C13 H10 O S4
• Calculated formula: C13 H10 O S4
• Title of publication: C13H10OS4
• Authors of publication: Murphy, P. J.; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 824
• a: 14.5002 ± 0.0003 Å
• b: 13.4816 ± 0.0003 Å
• c: 7.0091 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1370.18 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No