Information card for entry 4126020

Structure parameters

• Formula: C43 H58 Sn
• Calculated formula: C43 H58 Sn
• SMILES: [Sn](c1c(c2c(cc(C(C)C)cc2C(C)C)C(C)C)cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)[C@H]1C2C[C@H]3C1[C@H]3C2.[Sn](c1c(c2c(cc(C(C)C)cc2C(C)C)C(C)C)cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)[C@@H]1C2C[C@@H]3C1[C@@H]3C2
• Title of publication: Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.
• Authors of publication: Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 12.1647 ± 0.0015 Å
• b: 9.658 ± 0.0012 Å
• c: 31.714 ± 0.004 Å
• α: 90°
• β: 91.093 ± 0.002°
• γ: 90°
• Cell volume: 3725.3 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No