Information card for entry 2009050

Structure parameters

• Formula: C8 H34 Al2 N6 O16 P4
• Calculated formula: C8 H34 Al2 N6 O16 P4
• SMILES: [Al](OP(=O)([O-])O1)OP(=O)([O-])O[Al]1(OP(=O)([O-])[O])OP(=O)([O-])[O].[NH3+]CCC[NH3+].[NH3+]CC[NH3+].[NH3+]CCC[NH3+]
• Title of publication: A one-dimensionally extended chain aluminophosphate
• Authors of publication: Sugiyama, Kazumasa; Hiraga, Kenji; Yu, Jihong; Zheng, Shan; Qiu, Shilun; Xu, Ruren; Terasaki, Osamu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1615 - 1617
• a: 8.9499 ± 0.0012 Å
• b: 9.2513 ± 0.0009 Å
• c: 8.6473 ± 0.0011 Å
• α: 115.764 ± 0.008°
• β: 99.704 ± 0.011°
• γ: 98.247 ± 0.011°
• Cell volume: 616.35 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No