Information card for entry 2005727

Structure parameters

• Chemical name: 3,7-(Di-2-thienyl)-1,5,2,4,6,8-dithiatetrazocine
• Formula: C10 H6 N4 S4
• Calculated formula: C10 H6 N4 S4
• Title of publication: 3,7-Bis(2-thienyl)-1,5,2,4,6,8-dithiatetrazocine
• Authors of publication: Barclay, T. M.; Cordes, A. W.; Oakley, R. T.; Preuss, K. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3250 - 3252
• a: 6.9888 ± 0.001 Å
• b: 5.6836 ± 0.0005 Å
• c: 16.019 ± 0.002 Å
• α: 90°
• β: 101.822 ± 0.011°
• γ: 90°
• Cell volume: 622.8 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.035
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No