Information card for entry 4064454

Structure parameters

• Formula: C27 H26 Al B11 Cl10
• Calculated formula: C27 H26 Al B11 Cl10
• SMILES: Clc1c(c2c([Al]3(CC)[Cl][B]4567[BH]89%10[CH]%11%12%13[BH]%1448[BH]48%11[BH]%11%15%12[BH]%129%13[B]9%13%15([B]%158%11([B]5%144([Cl]3)[B]7%13%15([B]6%10%129Cl)Cl)Cl)Cl)c(ccc2)c2c(Cl)cccc2Cl)c(Cl)ccc1.c1ccccc1
• 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: 12.1316 ± 0.0014 Å
• b: 12.1249 ± 0.0014 Å
• c: 25.84 ± 0.003 Å
• α: 90°
• β: 96.978 ± 0.002°
• γ: 90°
• Cell volume: 3772.8 ± 0.8 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: 0.0436
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No