Information card for entry 4133404

Structure parameters

• Formula: C36 H84 Si8 Sn
• Calculated formula: C36 H84 Si8 Sn
• SMILES: [Sn]([C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)([C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)([C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)[C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C
• Title of publication: Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.
• Authors of publication: Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 46
• Pages of publication: 15934 - 15942
• a: 11.3719 ± 0.0002 Å
• b: 19.8321 ± 0.0004 Å
• c: 12.1517 ± 0.0002 Å
• α: 90°
• β: 107.788 ± 0.002°
• γ: 90°
• Cell volume: 2609.54 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No