Information card for entry 2207949

Structure parameters

• Common name: 2,6,2',6'-Tetrabromobiphenyl
• Chemical name: 2,6,2',6'-Tetrabromobiphenyl
• Formula: C12 H6 Br4
• Calculated formula: C12 H6 Br4
• SMILES: Brc1cccc(c1c1c(Br)cccc1Br)Br
• Title of publication: 2,2',6,6'-Tetrabromobiphenyl
• Authors of publication: Estrada, Jesús; Aguirre, Gerardo; Somanathan, Ratnasamy; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o388 - o389
• a: 10.615 ± 0.003 Å
• b: 9.8137 ± 0.0018 Å
• c: 12.768 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1330.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes