Information card for entry 4328411

Structure parameters

• Formula: C21 H36 Al N
• Calculated formula: C21 H36 Al N
• SMILES: [Al](C#[N]c1c(cccc1C)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: 8.8875 ± 0.0002 Å
• b: 11.8471 ± 0.0002 Å
• c: 11.9501 ± 0.0002 Å
• α: 64.069 ± 0.001°
• β: 87.109 ± 0.001°
• γ: 72.33 ± 0.001°
• Cell volume: 1073.19 ± 0.04 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 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: 0.0649
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No