Information card for entry 4065279

Structure parameters

• Formula: C14 H28 Al N Si2
• Calculated formula: C14 H28 Al N Si2
• SMILES: [Si](C1([Si](C)(C)C)[Al]([n]2ccccc12)(C)C)(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: 15.9215 ± 0.0002 Å
• b: 16.2335 ± 0.0002 Å
• c: 28.9629 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7485.8 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No