Information card for entry 7244600

Structure parameters

• Chemical name: Triphenylbismuth dichloride
• Formula: C18 H15 Bi Cl2
• Calculated formula: C18 H15 Bi Cl2
• SMILES: [Bi](Cl)(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding
• Authors of publication: Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 9.1006 ± 0.0003 Å
• b: 17.0456 ± 0.0004 Å
• c: 22.1478 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3435.68 ± 0.16 ų
• Cell temperature: 100 ± 0.02 K
• Ambient diffraction temperature: 100 ± 0.02 K
• Number of distinct elements: 4
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No