Information card for entry 4326423

Structure parameters

• Formula: C31 H54 Al Li N6 O
• Calculated formula: C31 H54 Al Li N6 O
• SMILES: [AlH]123n4[n](c(cc4C(C)C)C(C)C)[Li]3([n]3n1c(cc3C(C)C)C(C)C)([n]1n2c(cc1C(C)C)C(C)C)[O]1CCCC1
• Title of publication: Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds
• Authors of publication: Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9210 - 9212
• a: 12.4451 ± 0.0004 Å
• b: 16.3854 ± 0.0005 Å
• c: 17.1219 ± 0.0006 Å
• α: 90°
• β: 99.995 ± 0.002°
• γ: 90°
• Cell volume: 3438.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No