Information card for entry 7714833

Structure parameters

• Formula: C6 H9 N7 O8
• Calculated formula: C6 H9 N7 O8
• Title of publication: Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.
• Authors of publication: Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 903 - 907
• a: 6.2321 ± 0.0002 Å
• b: 10.9604 ± 0.0003 Å
• c: 35.1593 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2401.6 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No