Information card for entry 4064457

Structure parameters

• Formula: C29 H42 Al B11 Cl4 I6 N2
• Calculated formula: C29 H42 Al B11 Cl4 I6 N2
• SMILES: Clc1c(c2c([Al]([NH2]C(C)(C)C)([NH2]C(C)(C)C)CC)c(ccc2)c2c(Cl)cccc2Cl)c(Cl)ccc1.I[B]1234[BH]567[CH]89%10[BH]%1115[BH]158[BH]8%129[BH]96%10[B]6%10%12(I)[B]%1258(I)[B]2%111(I)[B]4%10%12(I)[B]3796I
• 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: 9.967 ± 0.004 Å
• b: 31.025 ± 0.012 Å
• c: 15.405 ± 0.006 Å
• α: 90°
• β: 94.07 ± 0.06°
• γ: 90°
• Cell volume: 4752 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No