Information card for entry 7008553

Structure parameters

• Common name: phenylseleniumtribromide
• Formula: C6 H5 Br3 Se
• Calculated formula: C6 H5 Br3 Se
• SMILES: [Se+](Br)(Br)c1ccccc1.[Br-]
• Title of publication: A comparison of the solid state structures of the selenium(IV) compounds PhSeX3(X=Cl, Br).
• Authors of publication: Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 10
• Pages of publication: 1759 - 1761
• a: 11.206 ± 0.002 Å
• b: 22.24 ± 0.004 Å
• c: 8.083 ± 0.002 Å
• α: 90°
• β: 111.13 ± 0.02°
• γ: 90°
• Cell volume: 1879 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No