Information card for entry 2227060

Structure parameters

• Chemical name: (±)-2-Methylpiperazin-1-ium perchlorate
• Formula: C5 H13 Cl N2 O4
• Calculated formula: C5 H13 Cl N2 O4
• SMILES: C1CNCC(C)[NH2+]1.Cl(=O)(=O)(=O)[O-]
• Title of publication: (±)-2-Methylpiperazin-1-ium perchlorate
• Authors of publication: Peng, Cong-Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2114
• a: 6.8977 ± 0.0005 Å
• b: 8.1292 ± 0.0006 Å
• c: 16.2201 ± 0.0011 Å
• α: 90°
• β: 98.614 ± 0.003°
• γ: 90°
• Cell volume: 899.25 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes