Information card for entry 1568978

Structure parameters

• Formula: C52 H50 Bi3 F9 N4 O17 S3
• Calculated formula: C52 H50 Bi3 F9 N4 O17 S3
• Title of publication: Insertion of CO₂ and CS₂ into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.
• Authors of publication: Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5214 - 5219
• a: 13.745 ± 0.004 Å
• b: 17.557 ± 0.005 Å
• c: 25.813 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6229 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No