Information card for entry 7129292

Structure parameters

• Formula: C44 H24 F24 O8 S2 Te3
• Calculated formula: C44 H24 F24 O8 S2 Te3
• Title of publication: Dicationic oligotelluroxane or mononuclear telluronium cation? Elucidation of true catalytic species and activation mechanism of benzylic carbon-halogen bond
• Authors of publication: Takagi, Koji; Sakakibara, Nao; Kikkawa, Shoko; Tsuzuki, Seiji
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 12.489 ± 0.0003 Å
• b: 15.9524 ± 0.0004 Å
• c: 16.1392 ± 0.0003 Å
• α: 63.246 ± 0.002°
• β: 87.5183 ± 0.0017°
• γ: 89.945 ± 0.0019°
• Cell volume: 2867.88 ± 0.12 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No