Information card for entry 7718575

Structure parameters

• Formula: C5 H4 N10 O2
• Calculated formula: C5 H4 N10 O2
• Title of publication: Exploring the energetic potential of 2,5-disubstituted tetrazoles: a case of 2,5-bis(oxadiazolyl)tetrazoles.
• Authors of publication: Sereda, Vera A.; Dubasova, Ekaterina V.; Ananyev, Ivan V.; Kosareva, Ekaterina K.; Fershtat, Leonid L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 8870 - 8880
• a: 6.754 ± 0.002 Å
• b: 9.061 ± 0.003 Å
• c: 14.743 ± 0.004 Å
• α: 90°
• β: 98.556 ± 0.009°
• γ: 90°
• Cell volume: 892.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0995
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No