Information card for entry 4326421

Structure parameters

• Formula: C49 H42 Al Li N6 O
• Calculated formula: C49 H42 Al Li N6 O
• SMILES: [AlH]123n4[n](c(cc4c4ccccc4)c4ccccc4)[Li]3([n]3n1c(cc3c1ccccc1)c1ccccc1)([n]1n2c(cc1c1ccccc1)c1ccccc1)[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: 19.9991 ± 0.0006 Å
• b: 17.6024 ± 0.0005 Å
• c: 22.648 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7972.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No