Information card for entry 2218199

Structure parameters

• Chemical name: (S)-2-Methylpiperazinediium dichloride 0.42-hydrate
• Formula: C5 H14.84 Cl2 N2 O0.42
• Calculated formula: C5 H14.84 Cl2 N2 O0.42
• Title of publication: (<i>S</i>)-2-Methylpiperazinediium dichloride 0.42-hydrate
• Authors of publication: Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o878
• a: 5.7548 ± 0.0002 Å
• b: 11.6176 ± 0.0004 Å
• c: 6.9248 ± 0.0002 Å
• α: 90°
• β: 105.76 ± 0.0016°
• γ: 90°
• Cell volume: 445.57 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes