Information card for entry 4304922

Structure parameters

• Common name: [(2PypoH)4Al4(OH2)12](NO3)8.7H2O
• Formula: C20 H58 Al4 N12 O55 P4
• Calculated formula: C20 H50 Al4 N12 O55 P4
• Title of publication: Convenient Synthesis of Aluminum and Gallium Phosphonate Cages
• Authors of publication: Christian R. Samanamu; Marilyn M. Olmstead; Jean-Luc Montchamp; Anne F. Richards
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3879 - 3887
• a: 10.7007 ± 0.0019 Å
• b: 24.348 ± 0.004 Å
• c: 25.701 ± 0.003 Å
• α: 90°
• β: 114.604 ± 0.011°
• γ: 90°
• Cell volume: 6088.2 ± 1.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No