Information card for entry 4085129

Structure parameters

• Formula: C21 H21 Bi
• Calculated formula: C21 H21 Bi
• SMILES: [Bi](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes
• Authors of publication: Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 395
• a: 9.8001 ± 0.0005 Å
• b: 10.5018 ± 0.0006 Å
• c: 16.8532 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1734.51 ± 0.16 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• 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: 0.0155
• Residual factor for significantly intense reflections: 0.0142
• Weighted residual factors for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections included in the refinement: 0.0307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No