Information card for entry 4131267

Structure parameters

• Common name: Sn(C6H3-2,6(2,6-i-Pr2C6H3)2)(CH3)2Sn(C6H3-2,6(2,6-i-Pr2C6H3)2)(CH3).toluene
• Formula: C69 H88 Sn2
• Calculated formula: C69 H88 Sn2
• SMILES: [Sn]([Sn]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C)C.Cc1ccccc1
• Title of publication: Dynamic Behavior and Isomerization Equilibria of Distannenes Synthesized by Tin Hydride/Olefin Insertions: Characterization of the Elusive Monohydrido Bridged Isomer.
• 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
• Journal volume: 139
• Journal issue: 19
• Pages of publication: 6586 - 6595
• a: 16.9165 ± 0.001 Å
• b: 14.5926 ± 0.0008 Å
• c: 24.5953 ± 0.0013 Å
• α: 90°
• β: 95.711 ± 0.002°
• γ: 90°
• Cell volume: 6041.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.096
• 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