Information card for entry 4117581

Structure parameters

• Formula: C12 H22 F6 O11 S2 Sn
• Calculated formula: C12 H22 F6 O11 S2 Sn
• SMILES: [Sn]123([O](CCOC)CC[O]1CC[O]2CC[O]3C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands
• Authors of publication: Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4332 - 4345
• a: 14.1583 ± 0.0019 Å
• b: 10.1383 ± 0.0014 Å
• c: 17.04 ± 0.002 Å
• α: 90°
• β: 109.332 ± 0.002°
• γ: 90°
• Cell volume: 2308 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0987
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No