Information card for entry 4511975

Structure parameters

• Formula: C6 H5 Al O6 P2
• Calculated formula: C6 H5 Al O6 P2
• SMILES: P(=O)(O)([O-])c1ccc(P(=O)([O-])[O-])cc1.[Al+3]
• Title of publication: Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates
• Authors of publication: Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 4976
• a: 9.87808 ± 0.0001 Å
• b: 8.76433 ± 0.0001 Å
• c: 10.10872 ± 0.0001 Å
• α: 90°
• β: 105.536 ± 0.001°
• γ: 90°
• Cell volume: 843.185 ± 0.016 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 3.86
• Goodness-of-fit parameter for all reflections: 1.36
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41241 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No