Information card for entry 7251337

Structure parameters

• Formula: C6 H8 N12 O3
• Calculated formula: C6 H8 N12 O3
• 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: 3.83694 ± 0.00005 Å
• b: 17.9329 ± 0.0002 Å
• c: 16.51337 ± 0.00018 Å
• α: 90°
• β: 94.2871 ± 0.0011°
• γ: 90°
• Cell volume: 1133.06 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No