Information card for entry 7043310

Structure parameters

• Chemical name: S-AlPO-CJ72
• Formula: C64 H104 Al8 N8 O50 P12
• Calculated formula: C64 H104 Al8 N8 O50 P12
• Title of publication: Synthesis and characterization of two layered aluminophosphates [R-C8H12N]8[H2O]2·[Al8P12O48H4] and [S-C8H12N]8[H2O]2·[Al8P12O48H4] with mirror symmetric feature and their proton conductivity
• Authors of publication: Yu, Yue; Zhu, Jingran; liu, jiancong; Yan, Yan; Song, Xiaowei
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.8858 ± 0.0008 Å
• b: 15.9533 ± 0.0014 Å
• c: 16.7037 ± 0.0014 Å
• α: 95.236 ± 0.002°
• β: 90.943 ± 0.002°
• γ: 105.37 ± 0.002°
• Cell volume: 2527.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No