Information card for entry 1529375

Structure parameters

• Formula: C104 N6 O82 P2 Ti4 W20
• Calculated formula: C104 N6 O82 P2 Ti4 W20
• Title of publication: Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species
• Authors of publication: Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 4778
• a: 23.1112 ± 0.0001 Å
• b: 15.2701 ± 0.0001 Å
• c: 27.7104 ± 0.0002 Å
• α: 90°
• β: 108.738 ± 0.0004°
• γ: 90°
• Cell volume: 9260.94 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No