Information card for entry 4304564

Structure parameters

• Formula: C28 H70 N2 O12 S4 Sn
• Calculated formula: C28 H70 N2 O12 S4 Sn
• SMILES: [Sn](OS(=O)(=O)C)(OS(=O)(=O)C)(OS(=O)(=O)C)(OS(=O)(=O)C)(CCCC)CCCC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Recipe for New Diorganostannates, [R2Sn(OS(O)2R1)4]2-, Bearing Alkanesulfonate Groups Using Dialkyl Sulfite as the Reagent
• Authors of publication: Ravi Shankar; Atul Pratap Singh; Mary F. Mahon; Kieran C. Molloy; Geeta Hundal; Monique Biesemans; Rudolph Willem
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 790 - 792
• a: 9.94 ± 0.0001 Å
• b: 11.738 ± 0.0001 Å
• c: 18.845 ± 0.0002 Å
• α: 96.744 ± 0.001°
• β: 95.758 ± 0.001°
• γ: 104.114 ± 0.001°
• Cell volume: 2098.55 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No