Information card for entry 2213612

Structure parameters

• Chemical name: 2-Phenylimidazolium nitrate hemihydrate
• Formula: C9 H10 N3 O3.5
• Calculated formula: C9 H10 N3 O3.5
• Title of publication: 2-Phenylimidazolium nitrate hemihydrate
• Authors of publication: Lai-Ping Zhang; Jian-Fang Ma; Guang-Ju Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2438 - o2439
• a: 3.754 ± 0.0008 Å
• b: 20.152 ± 0.004 Å
• c: 13.791 ± 0.003 Å
• α: 90°
• β: 95.362 ± 0.004°
• γ: 90°
• Cell volume: 1038.7 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes