Information card for entry 7204357

Structure parameters

• Formula: C6 H21 Al N2 O7 P2
• Calculated formula: C6 H18 Al N2 O7 P2
• Title of publication: Hydrothermal synthesis and crystal structure of two novel aluminophosphites containing infinite Al‒O‒Al chainsElectronic supplementary information (ESI) available: XRD patterns and views of NKX-1 and NKX-4. See http://www.rsc.org/suppdata/jm/b2/b200507g/
• Authors of publication: Li, Niu; Xiang, Shouhe
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1397
• a: 29.123 ± 0.017 Å
• b: 6.772 ± 0.004 Å
• c: 6.851 ± 0.004 Å
• α: 90°
• β: 92.991 ± 0.01°
• γ: 90°
• Cell volume: 1349.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No