Information card for entry 4505085

Structure parameters

• Formula: C6 H12 Co N O9 P
• Calculated formula: C6 H12 Co N O9 P
• SMILES: [Co]12([n]3c(P(=O)(O2)O)cccc3C(=O)O1)([OH2])([OH2])[OH2].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: 7.292 ± 0.004 Å
• b: 8.255 ± 0.004 Å
• c: 10.055 ± 0.005 Å
• α: 97.329 ± 0.008°
• β: 90.552 ± 0.008°
• γ: 100.293 ± 0.009°
• Cell volume: 590.3 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No