Information card for entry 8107274

Structure parameters

• Formula: C3 H5 N3 O3
• Calculated formula: C3 H5 N3 O3
• Title of publication: The crystal structure of imidazolium nitrate, C3H5O3N3
• Authors of publication: Xiao, Li; Hongxia, Pan; Qiang, Liu; Lei, Gong; Lizhen, Chen; Jianlong, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 995 - 996
• a: 7.2479 ± 0.0002 Å
• b: 7.2479 ± 0.0002 Å
• c: 21.6138 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1135.42 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No