Information card for entry 4074246

Structure parameters

• Formula: C16 H25 Cl2 O2 Sb
• Calculated formula: C16 H25 Cl2 O2 Sb
• SMILES: [Sb](Cl)(Cl)c1c(cccc1COC(C)(C)C)COC(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: 10.632 ± 0.0002 Å
• b: 12.346 ± 0.0002 Å
• c: 14.875 ± 0.0003 Å
• α: 90°
• β: 102.15 ± 0.0011°
• γ: 90°
• Cell volume: 1908.8 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No