Information card for entry 2206342

Structure parameters

• Formula: C4 H11 N3 O3
• Calculated formula: C4 H11 N3 O3
• SMILES: N(=O)(=O)[O-].N1CC[NH2+]CC1
• Title of publication: Piperazinium nitrate
• Authors of publication: Perpétuo, Genivaldo Julio; Janczak, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2531 - o2533
• a: 4.442 ± 0.0009 Å
• b: 12.953 ± 0.003 Å
• c: 12.677 ± 0.003 Å
• α: 90°
• β: 95.62 ± 0.03°
• γ: 90°
• Cell volume: 725.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1085
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes