Information card for entry 4074245

Structure parameters

• Formula: C10 H13 Cl2 O2 Sb
• Calculated formula: C10 H13 Cl2 O2 Sb
• SMILES: [Sb]1(Cl)(Cl)[O](Cc2c1c(ccc2)COC)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: 13.334 ± 0.0001 Å
• b: 8.558 ± 0.0002 Å
• c: 22.036 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2514.58 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No