Information card for entry 2226660

Structure parameters

• Chemical name: <i>p</i>-Phenylenedimethanaminium dibromide
• Formula: C8 H14 Br2 N2
• Calculated formula: C8 H14 Br2 N2
• SMILES: C(c1ccc(C[NH3+])cc1)[NH3+].[Br-].[Br-]
• Title of publication: <i>p</i>-Phenylenedimethanaminium dibromide
• Authors of publication: Zhang, Yuan; Han, Meng Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1865
• a: 4.4462 ± 0.0009 Å
• b: 6.0331 ± 0.0012 Å
• c: 10.347 ± 0.002 Å
• α: 101.9 ± 0.03°
• β: 99.79 ± 0.03°
• γ: 94.29 ± 0.03°
• Cell volume: 265.89 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes