Information card for entry 7010686

Structure parameters

• Formula: C8 H23 Al11 N4 O48 P12
• Calculated formula: Al11 O48 P12
• Title of publication: Synthesis and characterization of a new three-dimensional aluminophosphate [Al11P12O48][C4H12N2][C4H11N2] with an Al/P ratio of 11 ∶ 12
• Authors of publication: Wang, Kaixue; Yu, Jihong; Shi, Zhan; Miao, Peng; Yan, Wenfu; Xu, Ruren
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1809
• a: 14.0454 ± 0.0017 Å
• b: 14.0454 ± 0.0017 Å
• c: 42.091 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7191 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No