Information card for entry 7121151

Structure parameters

• Formula: C27 H62 Al Li N2 O4 Si4
• Calculated formula: C27 H62 Al Li N2 O4 Si4
• SMILES: [AlH2](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[Li]123[O]4CC[O]3CC[O]2CC[O]1CC4.Cc1ccccc1
• 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: 12.3904 ± 0.0003 Å
• b: 14.4124 ± 0.0003 Å
• c: 21.285 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3800.98 ± 0.15 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0222
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No