Information card for entry 2241703

Structure parameters

• Chemical name: Bis(benzoato-κ<i>O</i>)dibutyltin(IV)
• Formula: C22 H28 O4 Sn
• Calculated formula: C22 H28 O4 Sn
• SMILES: [Sn]12(CCCC)(CCCC)(OC(=[O]2)c2ccccc2)OC(=[O]1)c1ccccc1
• Title of publication: Crystal structure of bis(benzoato-κ<i>O</i>)dibutyltin(IV), nBu~2~Sn(bzo)~2~
• Authors of publication: Reuter, Hans; Okio, Coco K. Y. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 897 - 900
• a: 11.6801 ± 0.0005 Å
• b: 8.1098 ± 0.0003 Å
• c: 22.6345 ± 0.0008 Å
• α: 90°
• β: 98.736 ± 0.002°
• γ: 90°
• Cell volume: 2119.14 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes