Information card for entry 2103864

Structure parameters

• Chemical name: 2,6-Dimethylpiperazine‒phosphonopropionic acid‒methanol (1/2/0.34)
• Formula: C12.34 H28 N2 O10.34 P2
• Calculated formula: C12.337 H29.348 N2 O10.337 P2
• Title of publication: Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
• Authors of publication: Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: 248 - 262
• a: 20.2229 ± 0.0017 Å
• b: 8.6162 ± 0.0006 Å
• c: 11.8812 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2070.2 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes