Information card for entry 4130788

Structure parameters

• Formula: C1.17 H0.53 O0.24 Zr0.05
• Calculated formula: C1.17343 H0.531365 O0.243542 Zr0.0479705
• Title of publication: Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.
• Authors of publication: Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 37
• Pages of publication: 12234 - 12242
• a: 41.512 ± 0.004 Å
• b: 41.512 ± 0.004 Å
• c: 41.512 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 71535 ± 12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.2 K
• Number of distinct elements: 4
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.2586
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.3136
• Weighted residual factors for all reflections included in the refinement: 0.3628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No