Information card for entry 2013165

Structure parameters

• Common name: Risedronate monohydrate
• Chemical name: [1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl] phosphonate monohydrate
• Formula: C7 H13 N O8 P2
• Calculated formula: C7 H13 N O8 P2
• Title of publication: Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures
• Authors of publication: Gossman, William L.; Wilson, Scott R.; Oldfield, Eric
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m33 - m36
• a: 7.1219 ± 0.0015 Å
• b: 10.694 ± 0.002 Å
• c: 14.71 ± 0.003 Å
• α: 90°
• β: 101.996 ± 0.004°
• γ: 90°
• Cell volume: 1095.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes