Information card for entry 1548524

Structure parameters

• Formula: C3 H12 Al3 F N O13 P3
• Calculated formula: C3 H10 Al3 F N O13 P3
• Title of publication: Origin of the structure-directing effect resulting in identical topological open-framework materials
• Authors of publication: Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan
• Journal of publication: Scientific Reports
• Year of publication: 2015
• Journal volume: 5
• Pages of publication: 14940
• a: 9.1231 ± 0.0014 Å
• b: 9.2411 ± 0.0014 Å
• c: 9.3426 ± 0.0015 Å
• α: 86.769 ± 0.004°
• β: 79.946 ± 0.004°
• γ: 87.846 ± 0.004°
• Cell volume: 774 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No