Information card for entry 4304921

Structure parameters

• Common name: [(4PypoH)4Al4(OH2)12]Cl8.11H2O
• Formula: C20 H66 Al4 Cl8 N4 O35 P4
• Calculated formula: C20 H66 Al4 Cl8 N4 O35 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: 14.8394 ± 0.0007 Å
• b: 11.2851 ± 0.0005 Å
• c: 18.367 ± 0.0009 Å
• α: 90°
• β: 97.887 ± 0.003°
• γ: 90°
• Cell volume: 3046.7 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No