Information card for entry 7236441

Structure parameters

• Formula: C7 H9 Ca1.5 K O8.5
• Calculated formula: C7 H2 Ca1.5 K O8.5
• Title of publication: Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs
• Authors of publication: Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2813
• a: 17.3088 ± 0.0016 Å
• b: 17.4277 ± 0.0015 Å
• c: 7.8949 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2381.5 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No