Information card for entry 1563554

Structure parameters

• Formula: C6 H13 Al N2 O8 P2
• Calculated formula: C6 H13 Al N2 O8 P2
• 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: 8.078 ± 0.004 Å
• b: 13.111 ± 0.006 Å
• c: 13.534 ± 0.005 Å
• α: 90°
• β: 114.19 ± 0.02°
• γ: 90°
• Cell volume: 1307.5 ± 1 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: 0.1703
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.8462 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No