Information card for entry 4127347

Structure parameters

• Formula: C10.62 H7 O5.2 V0.1 Zr0.75
• Calculated formula: C10.625 H7 O5.2 V0.1 Zr0.75
• Title of publication: Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.
• Authors of publication: Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 20
• Pages of publication: 8306 - 8314
• a: 28.2644 ± 0.0004 Å
• b: 28.2644 ± 0.0004 Å
• c: 28.2644 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22579.8 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.1458
• Weighted residual factors for significantly intense reflections: 0.5059
• Weighted residual factors for all reflections included in the refinement: 0.559
• Goodness-of-fit parameter for all reflections included in the refinement: 2.692
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No