Information card for entry 7048937

Structure parameters

• Formula: C5 H13 N13 O4
• Calculated formula: C5 H13 N13 O4
• Title of publication: Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials.
• Authors of publication: Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 3237 - 3242
• a: 7.4845 ± 0.0002 Å
• b: 12.8712 ± 0.0004 Å
• c: 13.3363 ± 0.0004 Å
• α: 90°
• β: 91.327 ± 0.001°
• γ: 90°
• Cell volume: 1284.4 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No