Information card for entry 2223710

Structure parameters

• Chemical name: 1,1,4,4-Tetramethylpiperazinediium dibromide
• Formula: C8 H20 Br2 N2
• Calculated formula: C8 H20 Br2 N2
• SMILES: C[N+]1(C)CC[N+](C)(C)CC1.[Br-].[Br-]
• Title of publication: 1,1,4,4-Tetramethylpiperazinediium dibromide
• Authors of publication: Kärnä, Minna; Lahtinen, Manu; Valkonen, Jussi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2952
• a: 5.8769 ± 0.0012 Å
• b: 8.4584 ± 0.0017 Å
• c: 11.2 ± 0.002 Å
• α: 90°
• β: 92.79 ± 0.03°
• γ: 90°
• Cell volume: 556.08 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes