Information card for entry 4074251

Structure parameters

• Formula: C10 H13 Bi I2 O2
• Calculated formula: C10 H13 Bi I2 O2
• SMILES: c12c3cccc2C[O]([Bi]1([O](C3)C)(I)I)C
• Title of publication: Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands
• Authors of publication: Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 4366
• a: 15.608 ± 0.0005 Å
• b: 11.945 ± 0.0003 Å
• c: 8.585 ± 0.0003 Å
• α: 90°
• β: 117.121 ± 0.0016°
• γ: 90°
• Cell volume: 1424.58 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No