Information card for entry 4073717

Structure parameters

• Formula: C10 H13 Cl3 O2 Sn
• Calculated formula: C10 H13 Cl3 O2 Sn
• SMILES: [Sn]12(c3c(cccc3C[O]2C)C[O]1C)(Cl)(Cl)Cl
• 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: 9.551 ± 0.0003 Å
• b: 12.179 ± 0.0003 Å
• c: 12.647 ± 0.0004 Å
• α: 106.914 ± 0.0018°
• β: 99.294 ± 0.0016°
• γ: 94.071 ± 0.0019°
• Cell volume: 1378.12 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No