Information card for entry 4076971

Structure parameters

• Formula: C22 H23 Cl O2 Sn
• Calculated formula: C22 H23 Cl O2 Sn
• SMILES: [Sn]12(c3c(cccc3C[O]2C)C[O]1C)(c1ccccc1)(c1ccccc1)Cl
• 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: 24.961 ± 0.0001 Å
• b: 25.659 ± 0.0002 Å
• c: 12.819 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8210.24 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No