Information card for entry 1563555

Structure parameters

• Formula: C12 H25 Al2 N4 O16 P4
• Calculated formula: C12 H24 Al2 N4 O16 P4
• Title of publication: Ionothermal synthesis and crystal structures of metal phosphate chains
• Authors of publication: Wragg, David S.; Le Ouay, Benjamin; Beale, Andrew M.; O-Brien, Matthew G.; Slawin, Alexandra M.Z.; Warren, John E.; Prior, Timothy J.; Morris, Russell E.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 7
• Pages of publication: 1625 - 1631
• a: 8.079 ± 0.003 Å
• b: 12.58 ± 0.005 Å
• c: 12.974 ± 0.005 Å
• α: 88.51 ± 0.006°
• β: 86.24 ± 0.006°
• γ: 79.848 ± 0.006°
• Cell volume: 1295 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1332
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.6939 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No