Information card for entry 4074085

Structure parameters

• Formula: C21 H21 Bi
• Calculated formula: C21 H21 Bi
• SMILES: [Bi](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: A New Methodology for Synthesis of Aryl Bismuth Compounds: Arylation of Bismuth(III) Carboxylates by Sodium Tetraarylborate Salts
• Authors of publication: Stavila, Vitalie; Thurston, John H.; Prieto-Centurión, Darío; Whitmire, Kenton H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6864
• a: 6.4272 ± 0.0013 Å
• b: 10.63 ± 0.002 Å
• c: 14.087 ± 0.003 Å
• α: 87.57 ± 0.03°
• β: 89.38 ± 0.03°
• γ: 73.17 ± 0.03°
• Cell volume: 920.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.428
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No