Information card for entry 2013167

Structure parameters

• Common name: Risedronate monosodium hemi-pentahydrate
• Chemical name: sodium [1-hydroxy-2-(pyridinium-3-yl)ethane-1,2-diyl]bis(phosphonate) 2.5-hydrate
• Formula: C7 H15 N Na O9.5 P2
• Calculated formula: C7 H15 N Na O9.5 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: 21.664 ± 0.007 Å
• b: 8.93 ± 0.003 Å
• c: 15.123 ± 0.005 Å
• α: 90°
• β: 114.692 ± 0.005°
• γ: 90°
• Cell volume: 2658.2 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes