Information card for entry 4115398

Structure parameters

• Chemical name: Lithium tris[di-tert-butyl(methyl)silyl]germanide
• Formula: C168 H372 Ge4 Li4 O15 Si12
• Calculated formula: C168 H363 Ge4 Li4 O15 Si12
• SMILES: C[Si](C(C)(C)C)(C(C)(C)C)[Ge]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C(C)(C)(C)[Si](C(C)(C)C)([Ge]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C[Si](C(C)(C)C)(C(C)(C)C)[Ge]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.C[Si](C(C)(C)C)(C(C)(C)C)[Ge]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 33.156 ± 0.0006 Å
• b: 33.156 ± 0.0006 Å
• c: 32.884 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31306.9 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No