Information card for entry 4328410

Structure parameters

• Formula: C12 H18 Al N
• Calculated formula: C12 H18 Al N
• SMILES: [Al](C#[N]c1c(cccc1C)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: 7.374 ± 0.0008 Å
• b: 10.6098 ± 0.0011 Å
• c: 17.2788 ± 0.0019 Å
• α: 92.014 ± 0.004°
• β: 94.854 ± 0.004°
• γ: 91.319 ± 0.004°
• Cell volume: 1345.7 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No