Information card for entry 7251336

Structure parameters

• Formula: C7 H9 N9 O4 S
• Calculated formula: C7 H9 N9 O4 S
• Title of publication: New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs
• Authors of publication: Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 18.0728 ± 0.0002 Å
• b: 9.942 ± 0.0001 Å
• c: 7.1151 ± 0.0001 Å
• α: 90°
• β: 93.425 ± 0.001°
• γ: 90°
• Cell volume: 1276.16 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No