Information card for entry 4332415

Structure parameters

• Formula: C36 H178 Al8 F12 N12 O71 P12
• Calculated formula: C39 Al8 F12 N12 O73.844 P12
• Title of publication: Cubic Octanuclear Aluminum Fluoride Phosphonate†
• Authors of publication: Kratochvil, Jan; Necas, Marek; Petricek, Vaclav; Pinkas, Jiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6562 - 6564
• a: 17.3885 ± 0.0003 Å
• b: 17.3885 ± 0.0003 Å
• c: 19.6855 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5952.11 ± 0.17 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 83
• Hermann-Mauguin space group symbol: P 4/m
• Hall space group symbol: -P 4
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for significantly intense reflections: 4.34
• Goodness-of-fit parameter for all reflections included in the refinement: 2.7
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No