Information card for entry 2227936

Structure parameters

• Common name: bismuth tribenzoate
• Chemical name: Tribenzoatobismuth(III)
• Formula: C21 H15 Bi O6
• Calculated formula: C21 H15 Bi O6
• SMILES: [Bi]123(OC(=[O]1)c1ccccc1)(OC(=[O]2)c1ccccc1)OC(=[O]3)c1ccccc1
• Title of publication: Tribenzoatobismuth(III): a new polymorph
• Authors of publication: Tumanov, Nikolay A.; Timakova, Evgenia V.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1248
• a: 19.5608 ± 0.0019 Å
• b: 19.5608 ± 0.0019 Å
• c: 4.0967 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1357.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes