Information card for entry 4328409

Structure parameters

• Formula: C17 H36 Al N
• Calculated formula: C17 H36 Al N
• SMILES: [Al](C#[N]C(C)(C)C)(C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Calorimetric, Spectroscopic, and Structural Characterization of Isocyanide Complexes of Trialkylaluminum and Tri-tert-butylgallium
• Authors of publication: Nicholas B. Kingsley; Kristin Kirschbaum; Joseph A. Teprovich; Robert A. Flowers; Mark R. Mason
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2494 - 2502
• a: 16.2302 ± 0.0011 Å
• b: 12.2005 ± 0.0008 Å
• c: 21.0379 ± 0.0015 Å
• α: 90°
• β: 106.54 ± 0.002°
• γ: 90°
• Cell volume: 3993.5 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No