Information card for entry 7224724

Structure parameters

• Common name: N,N-dimethylbipyridinium dibromide
• Formula: C12 H14 Br2 N2
• Calculated formula: C12 H14 Br2 N2
• SMILES: c1cc(cc[n+]1C)c1cc[n+](cc1)C.[Br-].[Br-]
• Title of publication: Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide
• Authors of publication: Anioła, Michalina; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 3223
• a: 5.947 ± 0.003 Å
• b: 8.068 ± 0.008 Å
• c: 13.411 ± 0.005 Å
• α: 90°
• β: 95.94 ± 0.03°
• γ: 90°
• Cell volume: 640 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 350000 kPa
• 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: 0.097
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No