Information card for entry 4070745

Structure parameters

• Common name: 07131
• Formula: C36 H45 B3 Bi F3 O6
• Calculated formula: C36 H45 B3 Bi F3 O6
• 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: 11.6453 ± 0.0009 Å
• b: 13.4108 ± 0.001 Å
• c: 24.5109 ± 0.0018 Å
• α: 90°
• β: 94.063 ± 0.001°
• γ: 90°
• Cell volume: 3818.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No