Information card for entry 7113014

Structure parameters

• Common name: Magnesium salicylate 15-crown-5 hydrate acetonitrile solvate
• Chemical name: Magnesium salicylate 15-crown-5 hydrate acetonitrile solvate
• Formula: C47 H62 Mg2 N2 O22.5
• Calculated formula: C47 H62 Mg2 N2 O22.5
• 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: 13.1527 ± 0.0002 Å
• b: 14.2669 ± 0.0002 Å
• c: 16.2997 ± 0.0002 Å
• α: 64.76 ± 0.001°
• β: 88.722 ± 0.001°
• γ: 75.257 ± 0.001°
• Cell volume: 2662.49 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No