Information card for entry 4122075

Structure parameters

• Formula: C27 H55 Al2 Cl3 Si2
• Calculated formula: C27 H55 Al2 Cl3 Si2
• SMILES: [Cl]1[Al]2(C([Si](C(C)C)(C(C)C)C(C)C)=CCC=C2[Si](C(C)C)(C(C)C)C(C)C)[Cl][Al]1(Cl)CC(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: 12.9728 ± 0.0019 Å
• b: 34.25 ± 0.006 Å
• c: 15.554 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6910.9 ± 1.8 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.0698
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No