Information card for entry 4064571

Structure parameters

• Formula: C41 H88 Cl2 Ga2 Si8
• Calculated formula: C41 H88 Cl2 Ga2 Si8
• SMILES: [Ga](/C(=C\c1cc(/C=C([Ga](C)C([Si](Cl)(C)C)([Si](C)(C)C)[Si](C)(C)C)/[Si](C)(C)C)ccc1)[Si](C)(C)C)(C)C([Si](Cl)(C)C)([Si](C)(C)C)[Si](C)(C)C.C1CCCC1
• Title of publication: A Unique Chlorine‒Methyl Exchange Reaction upon Treatment of Dichloroorganogallium Compounds, RGaCl2, with the Bulky Alkyllithium Derivative LiC(SiMe3)3
• Authors of publication: Uhl, Werner; Claesener, Michael; Kovert, Dirk; Hepp, Alexander; Würthwein, Ernst-Ulrich; Ghavtadze, Nugzar
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3075
• a: 14.7824 ± 0.0002 Å
• b: 18.3463 ± 0.0002 Å
• c: 21.5909 ± 0.0002 Å
• α: 90°
• β: 109.526 ± 0.001°
• γ: 90°
• Cell volume: 5518.75 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No