Information card for entry 1508370

Structure parameters

• Formula: C5 H19.47 N2 O5.24 P
• Calculated formula: C5 H19.46 N2 O5.23 P
• Title of publication: Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O
• Authors of publication: Harrison, William T. A.
• Journal of publication: Crystals
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 236 - 243
• a: 31.075 ± 0.002 Å
• b: 31.075 ± 0.002 Å
• c: 6.1875 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5174.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No