Information card for entry 3000493

Structure parameters

• Formula: C8 H10 N4 S4
• Authors of publication: Zhanina Petkova; Rusi Rusew; Boris Shivachev; Vanya Kurteva
• Journal of publication: To be published in Molecules
• a: 12.3542 ± 0.0011 Å
• b: 5.4771 ± 0.0005 Å
• c: 9.8294 ± 0.0008 Å
• α: 90°
• β: 113.27 ± 0.002°
• γ: 90°
• Cell volume: 611 ± 0.09 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No