Information card for entry 4316299

Structure parameters

• Formula: C44 H32 I6 S2 Se2
• Calculated formula: C44 H32 I6 S2 Se2
• SMILES: c1(cccc2cccc(Sc3ccccc3)c12)[Se]([I]I)c1ccccc1.II.c1(cccc2cccc(Sc3ccccc3)c12)[Se]([I]I)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: 9.6066 ± 0.0017 Å
• b: 11.2528 ± 0.0014 Å
• c: 11.808 ± 0.0014 Å
• α: 65.855 ± 0.009°
• β: 82.839 ± 0.014°
• γ: 83.443 ± 0.014°
• Cell volume: 1152.9 ± 0.3 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: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No