Information card for entry 7110075

Structure parameters

• Common name: AlPO-JU89-3
• Formula: C4 H22 Al6 F6 N3 O18 P3
• Calculated formula: C4.02 H6 Al6 F6 N3 O18 P3
• Title of publication: A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product
• Authors of publication: Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11287
• a: 9.3411 ± 0.0013 Å
• b: 9.3411 ± 0.0013 Å
• c: 6.9932 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 528.45 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No