Information card for entry 7210925

Structure parameters

• Common name: AlPO STA-2, as-prepared
• Formula: C16 H24 Al12 N4 O50 P12
• Calculated formula: C15.98 H24 Al12 N4 O49.98 P12
• Title of publication: Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2
• Authors of publication: Seymour, Valerie R.; Eschenroeder, Eike C. V.; Castro, Maria; Wright, Paul A.; Ashbrook, Sharon E.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 43
• Pages of publication: 8668
• a: 13.031 ± 0.0006 Å
• b: 13.031 ± 0.0006 Å
• c: 29.498 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4337.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1716
• Residual factor for significantly intense reflections: 0.1126
• Weighted residual factors for significantly intense reflections: 0.2973
• Weighted residual factors for all reflections included in the refinement: 0.3568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No