Information card for entry 2237748

Structure parameters

• Chemical name: Diacetatodi-<i>tert</i>-butyltin(IV)
• Formula: C12 H24 O4 Sn
• Calculated formula: C12 H24 O4 Sn
• SMILES: [Sn](C(C)(C)C)(C(C)(C)C)(OC(=O)C)OC(=O)C
• Title of publication: Diacetatodi-<i>tert</i>-butyltin(IV)
• Authors of publication: Reichelt, Martin; Reuter, Hans
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m254
• a: 6.1039 ± 0.0003 Å
• b: 15.3928 ± 0.0007 Å
• c: 15.9601 ± 0.0008 Å
• α: 90°
• β: 95.462 ± 0.002°
• γ: 90°
• Cell volume: 1492.74 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes