Information card for entry 7134576

Structure parameters

• Formula: C5 H7 N7
• Calculated formula: C5 H7 N7
• Title of publication: Trinitromethyl- and nitramino-substituted triazolo-pyridazines: synthesis and energetic performance
• Authors of publication: Nehe, Sagar; Yadav, Abhishek Kumar; Ghule, Vikas D.; Dharavath, Srinivas
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 50
• Pages of publication: 9047 - 9050
• a: 6.906 ± 0.0003 Å
• b: 12.145 ± 0.0006 Å
• c: 15.993 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1341.39 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No