Information card for entry 2103808

Structure parameters

• Chemical name: 2,2'-Dipyridylamine‒phosphonoacetic acid (1/1)
• Formula: C12 H14 N3 O5 P
• Calculated formula: C12 H13.916 N3 O5 P
• Title of publication: Phosphonoacetic acid as a building block in supramolecular chemistry: salts with organic polyamines
• Authors of publication: Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Zakaria, Choudhury M.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 87 - 99
• a: 7.0706 ± 0.0002 Å
• b: 10.65 ± 0.0003 Å
• c: 10.702 ± 0.0004 Å
• α: 115.869 ± 0.0013°
• β: 98.812 ± 0.0015°
• γ: 104.004 ± 0.0013°
• Cell volume: 671.96 ± 0.04 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0549
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes