Information card for entry 7015640

Structure parameters

• Common name: compound 3
• Formula: C5 H7 Al2 N O12 P3
• Calculated formula: C5 H7 Al2 N O12 P3
• Title of publication: Solvothermal aluminophosphate zeotype synthesis with ionic liquid precursors.
• Authors of publication: Wragg, David S.; Fullerton, Grace M.; Byrne, Peter J.; Slawin, Alexandra M. Z.; Warren, John E.; Teat, Simon J.; Morris, Russell E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4926 - 4932
• a: 8.522 ± 0.004 Å
• b: 20.101 ± 0.01 Å
• c: 8.846 ± 0.004 Å
• α: 90°
• β: 111.09 ± 0.008°
• γ: 90°
• Cell volume: 1413.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.6939 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No