Information card for entry 4074249

Structure parameters

• Formula: C10 H13 Bi Cl2 O2
• Calculated formula: C10 H13 Bi Cl2 O2
• SMILES: c12c3C[O](C)[Bi]2([O](Cc1ccc3)C)(Cl)Cl
• 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: 8.431 ± 0.0003 Å
• b: 8.913 ± 0.0002 Å
• c: 9.308 ± 0.0003 Å
• α: 67.242 ± 0.0017°
• β: 78.641 ± 0.0016°
• γ: 77.349 ± 0.0019°
• Cell volume: 624.43 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No