Information card for entry 7224729

Structure parameters

• Common name: bipyridine hydrobromide
• Chemical name: bipyridine hydrobromide
• Formula: C10 H10 Br2 N2
• Calculated formula: C10 H10 Br2 N2
• SMILES: c1cc(cc[nH+]1)c1cc[nH+]cc1.[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: 4.8011 ± 0.0017 Å
• b: 7.275 ± 0.004 Å
• c: 7.759 ± 0.005 Å
• α: 71.06 ± 0.06°
• β: 86.46 ± 0.05°
• γ: 78.64 ± 0.04°
• Cell volume: 251.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 100000 kPa
• 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: 0.082
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No