Information card for entry 7128817

Structure parameters

• Formula: C46 H62 Al B N4
• Calculated formula: C46 H62 Al B N4
• SMILES: [AlH2](=C1N(C)C(C)=C(N1C)C)=C1N(C)C(C)=C(N1C)C.c1(cc(cc(c1)C)C)[B-](c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: Reductive elimination of [AlH₂]⁺ from a cationic Ga-Al dihydride.
• Authors of publication: Morris, Louis J.; Carpentier, Ambre; Maron, Laurent; Okuda, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 74
• Pages of publication: 9454 - 9457
• a: 16.068 ± 0.003 Å
• b: 12.667 ± 0.003 Å
• c: 22.56 ± 0.005 Å
• α: 90°
• β: 109.03 ± 0.03°
• γ: 90°
• Cell volume: 4340.8 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No