Information card for entry 4133595

Structure parameters

• Formula: C1.9 H0.55 O2.77 Zr0.5
• Calculated formula: C1.9 H0.5 O2.77223 Zr0.5
• Title of publication: Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.
• Authors of publication: Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 51
• Pages of publication: 18208 - 18216
• a: 35.0221 ± 0.0015 Å
• b: 35.0221 ± 0.0015 Å
• c: 35.0221 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42956 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.9538 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No