Information card for entry 4127410

Structure parameters

• Formula: C10 H18 Cl2 Sn2
• Calculated formula: C10 H18 Cl2 Sn2
• SMILES: [Sn](Cl)(C)(/C=C\C=C/C=C\[Sn](Cl)(C)C)C
• Title of publication: Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.
• Authors of publication: Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 28
• Pages of publication: 11000 - 11003
• a: 6.626 ± 0.0004 Å
• b: 19.1358 ± 0.001 Å
• c: 24.4346 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3098.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No