Information card for entry 2221831

Structure parameters

• Chemical name: Tricyclohexyl(2,3-dibromo-3-phenylpropionato-κ<i>O</i>)tin(IV)
• Formula: C27 H40 Br2 O2 Sn
• Calculated formula: C27 H40 Br2 O2 Sn
• SMILES: [Sn](OC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Sn](OC(=O)[C@H](Br)[C@H](Br)c1ccccc1)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Tricyclohexyl(2,3-dibromo-3-phenylpropionato-κ<i>O</i>)tin(IV)
• Authors of publication: Thong, Pui Yee; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m490
• a: 21.2359 ± 0.0003 Å
• b: 9.0837 ± 0.0001 Å
• c: 15.055 ± 0.0002 Å
• α: 90°
• β: 108.287 ± 0.001°
• γ: 90°
• Cell volume: 2757.45 ± 0.06 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes