Information card for entry 4067857

Structure parameters

• Formula: C12 H24 Cl3 Li O5 Sn
• Calculated formula: C12 H24 Cl3 Li O5 Sn
• SMILES: [Li]123([O]4CC[O]1CC[O]2CC[O]3CC4)[O]1CCCC1.[Sn](Cl)(Cl)[Cl-]
• Title of publication: Hypervalent Sulfur-Functionalized Diphosphagermylene and Diphosphastannylene Compounds
• Authors of publication: Izod, Keith; Clark, Ewan R.; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 246
• a: 9.6864 ± 0.0004 Å
• b: 8.3921 ± 0.0003 Å
• c: 23.1898 ± 0.0012 Å
• α: 90°
• β: 94.973 ± 0.004°
• γ: 90°
• Cell volume: 1877.99 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No