Information card for entry 4073713

Structure parameters

• Formula: C20 H26 Cl2 O2 Sn
• Calculated formula: C20 H26 Cl2 O2 Sn
• SMILES: [Sn]12(Cl)(Cl)(c3c(cccc3C[O]2C(C)C)C[O]1C(C)C)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: 13.489 ± 0.0003 Å
• b: 8.604 ± 0.0002 Å
• c: 17.746 ± 0.0003 Å
• α: 90°
• β: 97.852 ± 0.0013°
• γ: 90°
• Cell volume: 2040.28 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No