Information card for entry 7201672

Structure parameters

• Chemical name: bis(3-acetyl-2,4-pentandionato-O2,O3)magnesium(II)
• Formula: C14 H18 Mg O6
• Calculated formula: C14 H18 Mg O6
• Title of publication: Novel linear acetylpentanedionato complexes for metal‒organic framework construction
• Authors of publication: Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 327
• a: 8.31089 ± 0.00009 Å
• b: 12.15064 ± 0.00012 Å
• c: 8.06761 ± 0.00009 Å
• α: 90°
• β: 106.723 ± 0.0008°
• γ: 90°
• Cell volume: 780.234 ± 0.015 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor R(I) for significantly intense reflections: 4.2413
• Method of determination: powder diffraction
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No