Information card for entry 4134136

Structure parameters

• Common name: alpha dodecatungstochromate(III)
• Formula: Cr0.6 O40 W12
• Calculated formula: Cr0.6 O40 W12
• Title of publication: Incorporation of Cr^III into a Keggin Polyoxometalate as a Chemical Strategy to Stabilize a Labile {Cr^IIIO₄} Tetrahedral Conformation and Promote Unattended Single-Ion Magnet Properties.
• Authors of publication: Gumerova, Nadiia I.; Roller, Alexander; Giester, Gerald; Krzystek, J.; Cano, Joan; Rompel, Annette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 15.0892 ± 0.0006 Å
• b: 21.1101 ± 0.0006 Å
• c: 13.0805 ± 0.0004 Å
• α: 90°
• β: 98.788 ± 0.002°
• γ: 90°
• Cell volume: 4117.7 ± 0.2 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 103.8 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No