Information card for entry 4074252

Structure parameters

• Formula: C16 H25 Bi I2 O2
• Calculated formula: C16 H25 Bi I2 O2
• SMILES: [Bi]12(I)(I)[O](Cc3c2c(ccc3)C[O]1C(C)(C)C)C(C)(C)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: 8.578 ± 0.0002 Å
• b: 23.451 ± 0.0003 Å
• c: 9.995 ± 0.0002 Å
• α: 90°
• β: 94.55 ± 0.001°
• γ: 90°
• Cell volume: 2004.28 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No