Information card for entry 2213838

Structure parameters

• Chemical name: Hexane-1,6-diyldipyridinium dibromide
• Formula: C16 H22 Br2 N2
• Calculated formula: C16 H22 Br2 N2
• SMILES: [n+]1(ccccc1)CCCCCC[n+]1ccccc1.[Br-].[Br-]
• Title of publication: Hexane-1,6-diyldipyridinium dibromide
• Authors of publication: Ren-Jie Ni; Yu Huang; Cheng Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3047 - o3047
• a: 7.475 ± 0.0015 Å
• b: 7.932 ± 0.0016 Å
• c: 8.345 ± 0.0017 Å
• α: 94.12 ± 0.03°
• β: 115.64 ± 0.03°
• γ: 105.91 ± 0.03°
• Cell volume: 418.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes