Information card for entry 1000000

Structure parameters

• Formula: C5 H17 Al N2 O8 P2
• Calculated formula: C5 H17 Al N2 O8 P2
• Title of publication: [H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate
• Authors of publication: Phan Thanh, S.; Marrot, J.; Renaudin, J.; Maisonneuve, V.
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1073 - 1074
• a: 7.8783 ± 0.0002 Å
• b: 10.4689 ± 0.0001 Å
• c: 16.068 ± 0.0004 Å
• α: 90°
• β: 95.147 ± 0.001°
• γ: 90°
• Cell volume: 1319.9 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2011331
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No