Information card for entry 4337991

Structure parameters

• Formula: C40.75 H94.75 Al3 F12 O28 P6 Si10
• Calculated formula: C40.75 H93.75 Al3 F12 O28 P6 Si10
• 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: 14.6903 ± 0.0002 Å
• b: 16.3775 ± 0.0002 Å
• c: 23.1011 ± 0.0004 Å
• α: 92.731 ± 0.001°
• β: 107.447 ± 0.001°
• γ: 114.682 ± 0.002°
• Cell volume: 4721.05 ± 0.15 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: 0.099
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No