Information card for entry 4115395

Structure parameters

• Chemical name: 1,1,3,3-Tetra-tert-butyl-2-[di-tert-butyl(methyl)silyl]- 1,3-dimethyltrisilane-2-lithium
• Formula: C27 H63 Li Si4
• Calculated formula: C27 H63 Li Si4
• SMILES: [Si]([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Li]
• Title of publication: Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction
• Authors of publication: Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 15160 - 15161
• a: 11.396 ± 0.0005 Å
• b: 18.121 ± 0.0004 Å
• c: 16.695 ± 0.0007 Å
• α: 90°
• β: 104.52 ± 0.002°
• γ: 90°
• Cell volume: 3337.5 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0765
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No