Information card for entry 4309311

Structure parameters

• Formula: C63 H126 Al9 N3
• Calculated formula: C63 H126 Al9 N3
• SMILES: [AlH]12345[AlH]6789[AlH]%10%11%12%13[AlH]%14%151([Al]1%16%17%18([AlH]%19%202([AlH]2%216([AlH]%101([C]%12%15%17CC(C)(C)C)([C]9%132CC(C)(C)C)[C]%18%20%21CC(C)(C)C)[C]48%19CC(C)(C)C)[C]5%14%16CC(C)(C)C)[N](C)(C)C)[C]37%11CC(C)(C)C.[AlH]([N](C)(C)C)([N](C)(C)C)CCCC.Cc1ccccc1.Cc1ccccc1
• Title of publication: Aluminum Hydride Cations Stabilized by Weakly Coordinating Carbaalanates
• Authors of publication: Andreas Stasch; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5854 - 5857
• a: 11.9773 ± 0.0011 Å
• b: 18.527 ± 0.003 Å
• c: 33.662 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7469.7 ± 1.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No