Information card for entry 2242447

Structure parameters

• Common name: 1,2,4,5-tetrabromobenzene
• Chemical name: 1,2,4,5-tetrabromobenzene
• Formula: C6 H2 Br4
• Calculated formula: C6 H2 Br4
• SMILES: Brc1c(Br)cc(Br)c(Br)c1
• Title of publication: Studying weak interactions in crystals at high pressures: when hardware matters
• Authors of publication: Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 613 - 619
• a: 3.9431 ± 0.0005 Å
• b: 10.7566 ± 0.0018 Å
• c: 9.964 ± 0.002 Å
• α: 90°
• β: 100.557 ± 0.015°
• γ: 90°
• Cell volume: 415.46 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1773
• 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: Yes