Information card for entry 2012162

Structure parameters

• Chemical name: N,N'-Dimethylpiperazinium (2+) phosphonoacetate
• Formula: C10 H24 N2 O10 P2
• Calculated formula: C10 H24 N2 O10 P2
• Title of publication: <i>N</i>,<i>N</i>'-Dimethylpiperazinium(2+) phosphonoacetate: hydrogen-bonded anion sheets containing cation-templated <i>R</i>~6~^6^(28) rings
• Authors of publication: Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 952 - 954
• a: 5.9217 ± 0.0004 Å
• b: 8.9858 ± 0.0005 Å
• c: 8.9987 ± 0.0006 Å
• α: 61.73 ± 0.003°
• β: 81.885 ± 0.003°
• γ: 81.448 ± 0.004°
• Cell volume: 415.65 ± 0.05 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: 0.0777
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes