Information card for entry 1550681

Structure parameters

• Formula: C24 H19 Bi F3 N3 O4 S
• Calculated formula: C24 H19 Bi F3 N3 O4 S
• SMILES: [Bi]1([n]2ccccc2)(C(=O)N(c2c1cccc2)c1ccccc1)(OS(=O)(=O)C(F)(F)F)[n]1ccccc1
• Title of publication: Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl
• Authors of publication: Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 15.1161 ± 0.0005 Å
• b: 9.3373 ± 0.0003 Å
• c: 18.4406 ± 0.0007 Å
• α: 90°
• β: 110.474 ± 0.0012°
• γ: 90°
• Cell volume: 2438.36 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No