Information card for entry 4122593

Structure parameters

• Chemical name: 1,1,4,4-Tetra-tert-butyl-2,2,3,3-tetrachloro-5,5,6,6-tetramethylcyclohexasilane
• Formula: C20 H48 Cl4 Si6
• Calculated formula: C20 H48 Cl4 Si6
• SMILES: [Si]1([Si]([Si]([Si]([Si]([Si]1(C(C)(C)C)C(C)(C)C)(Cl)Cl)(Cl)Cl)(C(C)(C)C)C(C)(C)C)(C)C)(C)C
• Title of publication: Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.
• Authors of publication: Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 37
• Pages of publication: 12896 - 12898
• a: 9.1903 ± 0.0005 Å
• b: 21.5113 ± 0.0011 Å
• c: 16.6086 ± 0.001 Å
• α: 90°
• β: 96.652 ± 0.0008°
• γ: 90°
• Cell volume: 3261.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No