Information card for entry 4316306

Structure parameters

• Formula: C16 H11 Br I2 Te
• Calculated formula: C16 H11 Br I2 Te
• SMILES: I[Te](I)(c1cccc2cccc(Br)c12)c1ccccc1
• 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: 8.221 ± 0.002 Å
• b: 9.639 ± 0.003 Å
• c: 11.613 ± 0.003 Å
• α: 105.274 ± 0.008°
• β: 90.454 ± 0.004°
• γ: 102.945 ± 0.009°
• Cell volume: 863 ± 0.4 ų
• Cell temperature: 125.1 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No