Information card for entry 4309310

Structure parameters

• Formula: C48 H114 Al10 N4
• Calculated formula: C48 H114 Al10 N4
• SMILES: [AlH]12[C]34([AlH]5[C]67([AlH]8[C]9%10([AlH]([C]1%11([AlH]3[C]58([AlH]%10%11)CC(C)(C)C)CC(C)(C)C)[C]12([AlH]69[AlH]471)CC(C)(C)C)CC(C)(C)C)CC(C)(C)C)CC(C)(C)C.[AlH2]([N](C)(C)C)[N](C)(C)C.[AlH2]([N](C)(C)C)[N](C)(C)C
• 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: 13.013 ± 0.003 Å
• b: 15.676 ± 0.004 Å
• c: 16.321 ± 0.003 Å
• α: 90°
• β: 94.375 ± 0.017°
• γ: 90°
• Cell volume: 3319.6 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No