Information card for entry 7205020

Structure parameters

• Common name: Imidazolium acetophosphonate
• Formula: C5 H9 N2 O5 P
• Calculated formula: C5 H9 N2 O5 P
• SMILES: P(=O)(O)([O-])CC(=O)O.[nH]1c[nH+]cc1
• Title of publication: Ring templated nanochannel architecture of imidazolium phosphonoacetate
• Authors of publication: Videnova-Adrabińska, Veneta
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2931 - 2935
• a: 5.318 ± 0.001 Å
• b: 15.358 ± 0.002 Å
• c: 10.804 ± 0.002 Å
• α: 90°
• β: 95.65 ± 0.02°
• γ: 90°
• Cell volume: 878.1 ± 0.3 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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 significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No