Information card for entry 4070746

Structure parameters

• Common name: 07206
• Formula: C24 H25 B Bi Cl2 F O2
• Calculated formula: C24 H25 B Bi Cl2 F O2
• SMILES: [Bi](Cl)(Cl)(c1c(B2OC(C)(C)C(O2)(C)C)c(F)ccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds
• Authors of publication: Caires, Christopher C.; Guccione, Samira
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 747
• a: 9.4733 ± 0.0006 Å
• b: 13.9288 ± 0.0008 Å
• c: 37.941 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5006.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No