Information card for entry 7121150

Structure parameters

• Formula: C28 H70 Al N2 Na O4 Si4
• Calculated formula: C28 H70 Al N2 Na O4 Si4
• SMILES: C[Si](N([AlH2]N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(C)C.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 12.8589 ± 0.0002 Å
• b: 16.0231 ± 0.0002 Å
• c: 19.8745 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4094.93 ± 0.12 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: 0.0351
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0812
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No