Information card for entry 4337993

Structure parameters

• Formula: C68 H168 Al6 F12 O46 P10 Si16
• Calculated formula: C68 H168 Al6 F12 O46 P10 Si16
• 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: 13.9324 ± 0.0003 Å
• b: 16.0191 ± 0.0004 Å
• c: 16.7797 ± 0.0005 Å
• α: 81.927 ± 0.002°
• β: 77.855 ± 0.002°
• γ: 77.631 ± 0.002°
• Cell volume: 3558.29 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No