Information card for entry 4065280

Structure parameters

• Formula: C12 H22 Al Br2 N Si2
• Calculated formula: C12 H22 Al Br2 N Si2
• SMILES: Br[Al]1(Br)[n]2c(cccc2)C1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis of Intramolecularly Coordinated Aluminum and Gallium Compounds for the Preparation of [1]Ferrocenophanes
• Authors of publication: Breit, Nora C.; Ancelet, Travis; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6150
• a: 8.3242 ± 0.0006 Å
• b: 15.0855 ± 0.0009 Å
• c: 15.2507 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1915.1 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No