Information card for entry 3000494

Structure parameters

• Formula: C10 H14 N4 S4
• Authors of publication: Zhanina S. Petkova; Rusi I. Rusew; Boris Shivachev; Vanya B. Kurteva
• Journal of publication: To be published in Molecules
• a: 5.64 ± 0.003 Å
• b: 6.849 ± 0.004 Å
• c: 9.469 ± 0.006 Å
• α: 99.56 ± 0.02°
• β: 103.889 ± 0.019°
• γ: 90.88 ± 0.02°
• Cell volume: 349.6 ± 0.4 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No