Information card for entry 4133777

Structure parameters

• Formula: Cu3.04 K3.25 Na1.45 O133.47 P5 W30
• Calculated formula: Cu3.038 K3.25 Na1.46 O133.47 P5 W30
• Title of publication: Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.
• Authors of publication: Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 52.548 ± 0.003 Å
• b: 21.6349 ± 0.0012 Å
• c: 25.8226 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29357 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No