Information card for entry 7113012

Structure parameters

• Common name: magnesium ibuprofenate octahydrate
• Chemical name: magnesium ibuprofenate octahydrate
• Formula: C26 H50 Mg O12
• Calculated formula: C26 H50 Mg O12
• Title of publication: Mechanochemistry of magnesium oxide revisited: facile derivatisation of pharmaceuticals using coordination and supramolecular chemistry.
• Authors of publication: Chow, Ernest H. H.; Strobridge, Fiona C.; Friscić, Tomislav
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 34
• Pages of publication: 6368 - 6370
• a: 6.5483 ± 0.0002 Å
• b: 10.7963 ± 0.0003 Å
• c: 23.2598 ± 0.0007 Å
• α: 80.677 ± 0.002°
• β: 85.513 ± 0.002°
• γ: 88.711 ± 0.002°
• Cell volume: 1617.63 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No