Information card for entry 4133742

Structure parameters

• Formula: C16 H62 N8 O25 V8
• Calculated formula: C16 H52 N8 O25 V8
• SMILES: [V]1234([O]56[V]789([O]%101[V]1%11([O]7([V]75(O[V]56([O]9C)(=O)[NH2]C[C@H]([NH2]5)C)([O]([V]5(O3)(=O)([O]4%117)[NH2]C[C@@H]([NH2]5)C)C)=O)[V]3([O]1C)(O8)(=O)[NH2]C[C@@H]([NH2]3)C)(O[V]1%10([O]2C)(=O)[NH2][C@H](C)C[NH2]1)=O)=O)=O.O.O.O.O.O
• Title of publication: LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.
• Authors of publication: Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 11.504 ± 0.004 Å
• b: 12.022 ± 0.004 Å
• c: 35.623 ± 0.012 Å
• α: 90°
• β: 98.963 ± 0.004°
• γ: 90°
• Cell volume: 4867 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No