Information card for entry 7236398

Structure parameters

• Formula: C7 H5 N7 O4
• Calculated formula: C7 H5 N7 O4
• 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: 12.78 ± 0.002 Å
• b: 7.1353 ± 0.0012 Å
• c: 11.0435 ± 0.0018 Å
• α: 90°
• β: 109.625 ± 0.003°
• γ: 90°
• Cell volume: 948.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No