Information card for entry 4304555

Structure parameters

• Formula: Al13 H96 N17 O106
• Calculated formula: Al13 N17 O106
• SMILES: N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].[OH]12[Al]3456[OH]7[Al]89%10%11[OH]5[Al]5%12([OH]3[Al]32([OH][Al]21%13([OH][Al]([OH]3)([OH2])([OH2])([OH2])[OH2])[OH]6[Al]13([OH]4[Al]7([OH]8)([OH]1)([OH][Al]([OH]%10)([OH2])([OH2])([OH2])[OH2])[OH][Al]([OH]3)([OH2])([OH2])([OH2])[OH2])([OH]2)[OH][Al]([OH]%13)([OH2])([OH2])([OH2])[OH2])([OH]5)[OH][Al]([OH]%12)([OH2])([OH2])([OH2])[OH2])([OH]9)[OH][Al]([OH]%11)([OH2])([OH2])([OH2])[OH2].[NH4+].O.O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O
• Title of publication: Facile Synthesis of the Tridecameric Al13 Nanocluster Al13(μ3-OH)6(μ2-OH)18(H2O)24(NO3)15
• Authors of publication: Jason T. Gatlin; Zachary L. Mensinger; Lev N. Zakharov; David MacInnes; Darren W. Johnson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1267 - 1269
• a: 12.623 ± 0.003 Å
• b: 13.251 ± 0.003 Å
• c: 13.597 ± 0.003 Å
• α: 74.877 ± 0.004°
• β: 72.419 ± 0.004°
• γ: 86.79 ± 0.004°
• Cell volume: 2092.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No