Information card for entry 4076972

Structure parameters

• Formula: C16 H18 Cl2 O2 Sn
• Calculated formula: C16 H18 Cl2 O2 Sn
• SMILES: [Sn]12(Cl)(Cl)(c3c(cccc3C[O]2C)C[O]1C)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: 12.524 ± 0.0002 Å
• b: 12.524 ± 0.0002 Å
• c: 9.29 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1261.92 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0153
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No