Information card for entry 4343532

Structure parameters

• Formula: C10 H8 N2 O5 W
• Calculated formula: C10 H8 N2 O5 W
• SMILES: [W]123(OO1)(OO2)(=O)[n]1ccccc1c1[n]3cccc1
• Title of publication: Crystal Structure and Catalytic Behavior in Olefin Epoxidation of a One-Dimensional Tungsten Oxide/Bipyridine Hybrid.
• Authors of publication: Amarante, Tatiana R.; Antunes, Margarida M.; Valente, Anabela A.; Paz, Filipe A Almeida; Pillinger, Martyn; Gonçalves, Isabel S
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 9690 - 9703
• a: 6.2509 ± 0.0006 Å
• b: 12.5514 ± 0.0011 Å
• c: 13.6903 ± 0.0012 Å
• α: 90°
• β: 91.851 ± 0.003°
• γ: 90°
• Cell volume: 1073.55 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No