Information card for entry 4078106

Structure parameters

• Formula: C31 H61 Al N4 Si
• Calculated formula: C31 H61 Al N4 Si
• SMILES: [Al]1(N(C(=N\C2CCCCC2)\C(=C[N]21CCN(CC2)C)[Si](C)(C)C)C1CCCCC1)(CC(C)C)CC(C)C
• Title of publication: Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide
• Authors of publication: Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3272
• a: 10.9837 ± 0.0002 Å
• b: 16.3149 ± 0.0003 Å
• c: 20.0517 ± 0.0004 Å
• α: 90°
• β: 102.296 ± 0.001°
• γ: 90°
• Cell volume: 3510.8 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No