Information card for entry 4073719

Structure parameters

• Formula: C24 H27 Cl O2 Sn
• Calculated formula: C24 H27 Cl O2 Sn
• SMILES: [Sn]1(Cl)(c2c(cccc2COCC)C[O]1CC)(c1ccccc1)c1ccccc1
• Title of publication: Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥
• Authors of publication: Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6312
• a: 8.261 ± 0.0002 Å
• b: 9.057 ± 0.0002 Å
• c: 30.379 ± 0.0009 Å
• α: 90°
• β: 96.76 ± 0.001°
• γ: 90°
• Cell volume: 2257.15 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No