Information card for entry 7053443

Structure parameters

• Formula: C61 H127 Li O2 Si12
• Calculated formula: C61 H127 Li O2 Si12
• SMILES: [SiH]([Si]1([Si](C([Si](C)(C)C)[Si](C)(C)C)(C1([Si](C)(C)C)[Si](C)(C)C)C(C)C)C)([Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)[Li]([O]1CCCC1)[O]1CCCC1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Addition of methyllithium to disilyne RSiSiR (R = SiiPr[CH(SiMe3)2]), giving a disilenyllithium, and its unexpected isomerization to a disilacyclopropylsilyllithium
• Authors of publication: Yamaguchi, Torahiko; Ichinohe, Masaaki; Sekiguchi, Akira
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1544
• a: 53.017 ± 0.002 Å
• b: 14.983 ± 0.0005 Å
• c: 19.943 ± 0.0009 Å
• α: 90°
• β: 100.564 ± 0.003°
• γ: 90°
• Cell volume: 15573.3 ± 1.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No