Information card for entry 4316303

Structure parameters

• Formula: C22 H16 I2 Se Te
• Calculated formula: C22 H16 I2 Se Te
• SMILES: [Te](I)(I)(c1cccc2cccc(c12)[Se]c1ccccc1)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: 19.723 ± 0.009 Å
• b: 15.191 ± 0.006 Å
• c: 14.463 ± 0.006 Å
• α: 90°
• β: 100.692 ± 0.012°
• γ: 90°
• Cell volume: 4258 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.1495
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No