Information card for entry 4067644

Structure parameters

• Formula: C30 H46 Al2 Si2
• Calculated formula: C30 H46 Al2 Si2
• SMILES: C1(=Cc2cccc[c]32[Al]1(C(C)(C)C)[c]12c(cccc1)C=C([Al]32C(C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Hydroalumination and Hydrogallation of 1,2-Bis(trimethylsilylethynyl)benzene: Formation of Molecular Capsules and C−C Bond Activation
• Authors of publication: Uhl, Werner; Hepp, Alexander; Westenberg, Hauke; Zemke, Sarina; Würthwein, Ernst-Ulrich; Hellmann, Johannes
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1406
• a: 9.1789 ± 0.0007 Å
• b: 9.3838 ± 0.0007 Å
• c: 10.8102 ± 0.0013 Å
• α: 95.77 ± 0.001°
• β: 99.954 ± 0.001°
• γ: 118.907 ± 0.001°
• Cell volume: 784.32 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No