Information card for entry 2226520

Structure parameters

• Chemical name: Tricyclohexyl{2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]acetato- κ<i>O</i>}tin(IV)
• Formula: C35 H58 O3 S Sn
• Calculated formula: C35 H58 O3 S Sn
• SMILES: [Sn](OC(=O)CSCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Tricyclohexyl{2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]acetato-κ<i>O</i>}tin(IV)
• Authors of publication: Lee, See Mun; Mohd Ali, Hapipah; Lo, Kong Mun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m792
• a: 15.5048 ± 0.0003 Å
• b: 11.4261 ± 0.0003 Å
• c: 19.9794 ± 0.0004 Å
• α: 90°
• β: 94.603 ± 0.002°
• γ: 90°
• Cell volume: 3528.12 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1052
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes