Information card for entry 2007131

Structure parameters

• Common name: OLPADRONATE
• Chemical name: Monosodium 3(N,N-dimethyl)-1-hydroxy-1,1'-bisphosphonate, hydrate (Olpadronate)
• Formula: C5 H16 N Na O8 P2
• Calculated formula: C5 H16 N Na O8 P2
• Title of publication: Monosodium 3-(Dimethylammonio)-1-hydroxy-1,1-propanediyldiphosphonate Monohydrate (Monosodium Olpadronate Monohydrate)
• Authors of publication: Vega, Daniel; Baggio, Ricardo; Piro, Oscar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 324 - 327
• a: 5.929 ± 0.001 Å
• b: 9.131 ± 0.001 Å
• c: 11.716 ± 0.001 Å
• α: 107.94 ± 0.01°
• β: 96.29 ± 0.01°
• γ: 93.88 ± 0.01°
• Cell volume: 596.35 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.0956
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No