Information card for entry 1548525

Structure parameters

• Formula: C5 H12.5 Al3 F N O12.25 P3
• Calculated formula: C5 H12 Al3 F N O12.25 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: 9.18 ± 0.0008 Å
• b: 9.1957 ± 0.0008 Å
• c: 9.3606 ± 0.0008 Å
• α: 86.532 ± 0.002°
• β: 78.192 ± 0.002°
• γ: 87.739 ± 0.002°
• Cell volume: 771.76 ± 0.12 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: 0.0675
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No