Information card for entry 7718576

Structure parameters

• Formula: C10 H2 N18 O4
• Calculated formula: C10 H2 N18 O4
• 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: 8.9657 ± 0.0004 Å
• b: 12.1892 ± 0.0005 Å
• c: 16.1224 ± 0.0007 Å
• α: 105.34 ± 0.002°
• β: 96.598 ± 0.002°
• γ: 99.266 ± 0.002°
• Cell volume: 1653.87 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No