Information card for entry 4316305

Structure parameters

• Formula: C16 H11 Br2 I Te
• Calculated formula: C16 H11 Br2 I Te
• SMILES: Ic1cccc2cccc([Te](Br)(Br)c3ccccc3)c12
• 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: 8.5238 ± 0.0018 Å
• b: 12.165 ± 0.003 Å
• c: 15.78 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1636.3 ± 0.6 ų
• Cell temperature: 125.1 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No