Information card for entry 7121153

Structure parameters

• Formula: C21 H61 Al Li N5 Si4
• Calculated formula: C21 H61 Al Li N5 Si4
• SMILES: [AlH](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[H][Li]12[N](C)(C)CC[N]1(C)CC[N]2(C)C
• Title of publication: Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications
• Authors of publication: Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 18.2497 ± 0.0003 Å
• b: 11.7867 ± 0.0002 Å
• c: 16.1366 ± 0.0003 Å
• α: 90°
• β: 93.426 ± 0.002°
• γ: 90°
• Cell volume: 3464.84 ± 0.1 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0459
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No