Information card for entry 4505082

Structure parameters

• Formula: C6 H8 N O6 P
• Calculated formula: C6 H8 N O6 P
• SMILES: P(=O)([O-])(O)c1[nH+]c(ccc1)C(=O)O.O
• Title of publication: Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions
• Authors of publication: Kong, Deyuan; Clearfield, Abraham
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1263
• a: 8.4833 ± 0.0014 Å
• b: 12.478 ± 0.002 Å
• c: 8.5116 ± 0.0014 Å
• α: 90°
• β: 110.844 ± 0.003°
• γ: 90°
• Cell volume: 842 ± 0.2 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 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: 0.055
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No