Information card for entry 2014350

Structure parameters

• Common name: Ammonium risedronate dihydrate
• Chemical name: Ammonium [1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl]phosphonate dihydrate
• Formula: C7 H18 N2 O9 P2
• Calculated formula: C7 H18 N2 O9 P2
• SMILES: P(=O)([O-])(O)C(P(=O)([O-])O)(O)Cc1c[nH+]ccc1.O.O.[NH4+]
• Title of publication: Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate
• Authors of publication: Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m112 - m115
• a: 10.0911 ± 0.0006 Å
• b: 12.279 ± 0.0007 Å
• c: 11.1598 ± 0.0007 Å
• α: 90°
• β: 104.24 ± 0.001°
• γ: 90°
• Cell volume: 1340.31 ± 0.14 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes