Information card for entry 4076970

Structure parameters

• Formula: C28 H28 O2 Sn
• Calculated formula: C28 H28 O2 Sn
• SMILES: [Sn]12([O](Cc3c2c(ccc3)C[O]1C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands
• Authors of publication: Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3996
• a: 13.909 ± 0.0002 Å
• b: 12.327 ± 0.0001 Å
• c: 14.626 ± 0.0002 Å
• α: 90°
• β: 106.567 ± 0.0007°
• γ: 90°
• Cell volume: 2403.61 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No