Information card for entry 2311359

Structure parameters

• Chemical name: Dimethylbis[2,4-pentanedionato(1-)-κ^2^<i>O</i>^2^,<i>O</i>^4^]tin(IV)
• Formula: C12 H20 O4 Sn
• Calculated formula: C12 H20 O4 Sn
• SMILES: C1(=CC(=[O][Sn]2([O]=C(C)C=C(O2)C)(O1)(C)C)C)C
• Title of publication: Redetermination of the crystal structure of di-methyl-bis-[2,4-penta-nedionato(1-)-κ²<i>O</i>²,<i>O</i>⁴]tin(IV).
• Authors of publication: Reuter, Hans; Reichelt, Martin
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 4
• Pages of publication: 472 - 475
• a: 6.7693 ± 0.0004 Å
• b: 13.8357 ± 0.0007 Å
• c: 7.6661 ± 0.0004 Å
• α: 90°
• β: 104.709 ± 0.002°
• γ: 90°
• Cell volume: 694.46 ± 0.07 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: 0.0162
• Residual factor for significantly intense reflections: 0.0129
• Weighted residual factors for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No