Information card for entry 4064455

Structure parameters

• Formula: C33 H48 Al B11 I6
• Calculated formula: C33 H48 Al B11 I6
• SMILES: [I]1[Al]([I][B]2345[BH]678[CH]9%10%11[BH]%12%136[BH]6%14%11[BH]%11%15%10[BH]279[B]24%11(I)[B]46%15(I)[B]6%13%14(I)[B]138%12[B]5246I)(c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds
• Authors of publication: Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2563
• a: 13.736 ± 0.01 Å
• b: 20.352 ± 0.015 Å
• c: 17.04 ± 0.012 Å
• α: 90°
• β: 107.88 ± 0.016°
• γ: 90°
• Cell volume: 4534 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1099
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No