Information card for entry 4122076

Structure parameters

• Formula: C28 H51 Al Cl N Si2
• Calculated formula: C28 H51 Al Cl N Si2
• SMILES: Cl[Al]1([n]2ccccc2)C(=CCC=C1[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: An anionic aluminabenzene bearing aromatic and ambiphilic contributions.
• Authors of publication: Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 26
• Pages of publication: 9276 - 9279
• a: 14.153 ± 0.002 Å
• b: 13.6408 ± 0.0019 Å
• c: 17.227 ± 0.003 Å
• α: 90°
• β: 112.442 ± 0.0017°
• γ: 90°
• Cell volume: 3073.9 ± 0.8 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No