Information card for entry 4073718

Structure parameters

• Formula: C23 H31 Cl5 O2 Sn
• Calculated formula: C23 H31 Cl5 O2 Sn
• SMILES: [Sn]12(Cl)(Cl)(c3c(cccc3C[O]2C(C)(C)C)C[O]1C(C)(C)C)c1ccccc1.C(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: 17.87 ± 0.0002 Å
• b: 13.418 ± 0.0002 Å
• c: 11.379 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2728.45 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No