Information card for entry 4070748

Structure parameters

• Common name: 07237
• Formula: C24 H25 B Bi F O2
• Calculated formula: C24 H25 B Bi F O2
• SMILES: [Bi]1([O]2B(OC(C2(C)C)(C)C)c2c1cccc2F)(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: 10.399 ± 0.003 Å
• b: 10.701 ± 0.003 Å
• c: 11.484 ± 0.003 Å
• α: 94.046 ± 0.004°
• β: 95.697 ± 0.004°
• γ: 118.484 ± 0.003°
• Cell volume: 1107.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No