Information card for entry 4126019

Structure parameters

• Formula: C44 H54 Sn
• Calculated formula: C44 H54 Sn
• SMILES: [Sn](c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[C@@H]1C2C[C@@H]3C1[C@@H]3C2.Cc1ccccc1.[Sn](c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[C@H]1C2C[C@H]3C1[C@H]3C2.Cc1ccccc1
• 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: 8.296 ± 0.0016 Å
• b: 14.809 ± 0.003 Å
• c: 15.586 ± 0.003 Å
• α: 87.356 ± 0.005°
• β: 74.584 ± 0.005°
• γ: 84.943 ± 0.004°
• Cell volume: 1838.2 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No