Information card for entry 7048936

Structure parameters

• Formula: C5 H3 K N6 O4
• Calculated formula: C5 H3 K N6 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: 13.4341 ± 0.0003 Å
• b: 8.8483 ± 0.0002 Å
• c: 15.6056 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.02 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No