Information card for entry 4316295

Structure parameters

• Formula: C22 H16 Br4 Se2
• Calculated formula: C22 H16 Br4 Se2
• SMILES: Br[Se]1([Se+](c2cccc3cccc1c23)c1ccccc1)c1ccccc1.Br[Br-]Br
• Title of publication: Hypervalent Adducts of Chalcogen-Containing peri-Substituted Naphthalenes; Reactions of Sulfur, Selenium, and Tellurium with Dihalogens
• Authors of publication: Fergus R. Knight; Amy L. Fuller; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7577 - 7596
• a: 9.293 ± 0.003 Å
• b: 14.082 ± 0.005 Å
• c: 17.212 ± 0.006 Å
• α: 90°
• β: 97.177 ± 0.009°
• γ: 90°
• Cell volume: 2234.8 ± 1.3 ų
• Cell temperature: 125.1 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No