Information card for entry 7715246

Structure parameters

• Formula: C72.5 H68 Br12
• Calculated formula: C72.5 H68 Br12
• Title of publication: Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene
• Authors of publication: Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 19.0157 ± 0.0003 Å
• b: 20.0868 ± 0.0004 Å
• c: 19.9871 ± 0.0003 Å
• α: 90°
• β: 113.226 ± 0.002°
• γ: 90°
• Cell volume: 7015.6 ± 0.2 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No