Information card for entry 1568979

Structure parameters

• Formula: C22 H27 Bi F3 N O6 S3
• Calculated formula: C22 H27 Bi F3 N O6 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: 17.7035 ± 0.0014 Å
• b: 24.613 ± 0.002 Å
• c: 14.9608 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6519 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No