Information card for entry 4327276

Structure parameters

• Formula: C7 H10 N O4 P
• Calculated formula: C7 H10 N O4 P
• SMILES: P(=O)(O)(O)CCc1n(=O)cccc1
• Title of publication: A Three-Dimensional Framework Structure Constructed from 2-(2-Pyridyl-N-oxide) Ethylphosphonic Acid and Nd(III)
• Authors of publication: Xin-min Gan; Brian M. Rapko; Jesse Fox; Iris Binyamin; Sylvie Pailloux; Eileen N. Duesler; Robert T. Paine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 3741 - 3745
• a: 7.245 ± 0.003 Å
• b: 8.766 ± 0.003 Å
• c: 13.899 ± 0.005 Å
• α: 94.88 ± 0.02°
• β: 94.85 ± 0.02°
• γ: 96.83 ± 0.02°
• Cell volume: 869.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.1039
• Goodness-of-fit parameter for all reflections: 1.197
• Goodness-of-fit parameter for significantly intense reflections: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No