Information card for entry 1514323

Structure parameters

• Formula: C5 H9 N5
• Calculated formula: C5 H9 N5
• Title of publication: Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure
• Authors of publication: McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.
• Journal of publication: Energy & Fuels
• Year of publication: 2014
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 3460
• a: 14.356 ± 0.004 Å
• b: 6.3845 ± 0.0019 Å
• c: 7.889 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 723.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No