Information card for entry 4337992

Structure parameters

• Formula: C38 H86 Al3 F12 O24 P5 Si9
• Calculated formula: C38 H86 Al3 F12 O24 P5 Si9
• Title of publication: Construction of Larger Molecular Aluminophosphate Cages from the Cyclic Four-Ring Building Unit.
• Authors of publication: Chyba, Jan; Moravec, Zdenek; Necas, Marek; Mathur, Sanjay; Pinkas, Jiri
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3753
• a: 17.207 ± 0.002 Å
• b: 21.72 ± 0.003 Å
• c: 21.77 ± 0.003 Å
• α: 90°
• β: 91.442 ± 0.013°
• γ: 90°
• Cell volume: 8133.7 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No