Information card for entry 7236399

Structure parameters

• Formula: C8 H6 N6 O5
• Calculated formula: C8 H6 N6 O5
• Title of publication: Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies
• Authors of publication: Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 7366
• a: 7.141 ± 0.0007 Å
• b: 8.315 ± 0.0007 Å
• c: 10.267 ± 0.0012 Å
• α: 84.165 ± 0.008°
• β: 73.123 ± 0.01°
• γ: 66.337 ± 0.009°
• Cell volume: 534.25 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No